FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Gallagher, KG Pivovar, BS Fuller, TF AF Gallagher, Kevin G. Pivovar, Bryan S. Fuller, Thomas F. TI Electro-osmosis and Water Uptake in Polymer Electrolytes in Equilibrium with Water Vapor at Low Temperatures SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID PROTON-EXCHANGE MEMBRANES; ETHER SULFONE) COPOLYMERS; FUEL-CELL APPLICATIONS; ELECTROOSMOTIC DRAG; COLD START; PHYSICAL DEGRADATION; AQUEOUS-SOLUTIONS; ACID MEMBRANES; TRANSPORT; NAFION AB Water uptake and electro-osmosis are investigated to improve the understanding and aid the modeling of water transport in proton-exchange membrane fuel cells (PEMFCs) below 0 degrees C. Measurements of water sorption isotherms show a significant reduction in the water capacity of polymer electrolytes below 0 degrees C. This reduced water content is attributed to the lower vapor pressure of ice compared to supercooled liquid water. At -25 degrees C, 1100 equivalent weight Nafion in equilibrium with vapor over ice has 8 moles of water per sulfonic acid group. Measurements of the electro-osmotic drag coefficient for Nation and both random and multiblock copolymer sulfonated poly(arylene ether sulfone) (BPSH) chemistries are reported for vapor equilibrated samples below 0 degrees C. The electro-osmotic drag coefficient of BPSH chemistries is found to be similar to 0.4. and that of Nation is similar to 1. No significant temperature effect on the drag coefficient is found. The implication of an elcctro-osmotic drag coefficient less than unity is discussed in terms of proton conduction mechanisms. Simulations of the ohmically limited current below 0 degrees C show that a reduced water uptake below 0 degrees C results in a significant decrease in PEMFC performance. (C) 2008 The Electrochemical Society. C1 [Gallagher, Kevin G.; Fuller, Thomas F.] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. [Gallagher, Kevin G.; Fuller, Thomas F.] Georgia Inst Technol, Ctr Innovat Fuel Cell & Battery Technol, Atlanta, GA 30332 USA. [Pivovar, Bryan S.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Gallagher, KG (reprint author), Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. EM kevin.gallagher@chbe.gatech.edu RI Fuller, Thomas/D-5534-2009 NR 52 TC 21 Z9 21 U1 1 U2 17 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2009 VL 156 IS 3 BP B330 EP B338 DI 10.1149/1.3046150 PG 9 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 442JQ UT WOS:000265837900022 ER PT J AU Janik, MJ Taylor, CD Neurock, M AF Janik, Michael J. Taylor, Christopher D. Neurock, Matthew TI First-Principles Analysis of the Initial Electroreduction Steps of Oxygen over Pt(111) SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE ab initio calculations; association; charge exchange; density functional theory; electrochemical electrodes; hydrogen bonds; oxygen; platinum; proton exchange membrane fuel cells; reduction (chemical) ID ELECTRON-TRANSFER REACTIONS; DENSITY-FUNCTIONAL THEORY; TOTAL-ENERGY CALCULATIONS; ELASTIC BAND METHOD; WAVE BASIS-SET; ACTIVATION-ENERGIES; MONOLAYER ELECTROCATALYSTS; DISSOCIATIVE ADSORPTION; REVERSIBLE POTENTIALS; MOLECULAR-DYNAMICS AB The sluggish kinetics associated with the oxygen reduction reaction (ORR) at the proton exchange membrane fuel cell cathode leads to high overpotentials and limits fuel cell performance. Although significant progress has been made in first-principles modeling of the ORR, the complexity of the electrified aqueous/metal interface has limited advances in the use of theory to elucidate the influence of electrode potential on the mechanism and kinetics. The first reduction step of adsorbed molecular oxygen has been speculated to be the rate-determining step in the ORR. Periodic density functional theoretical calculations are carried out with the double-reference method developed by Filhol and Neurock [Angew. Chem. Int. Ed., 45, 402 (2006)] to determine the potential dependence of the reaction energy and activation barrier for the reduction of O(2)(*) to OOH(*) on the fully hydrated Pt(111) surface. This method allows for tuning the electrode potential with a slab representation of the electrode surface. Electron transfer is found to precede the protonation of the adsorbed O(2) molecule, occurring with the proton formally residing as an H(3)O(+) species connected to the adsorbed O(2) molecule by hydrogen bonding through two additional water molecules. The importance of the periodic representation of the metal electronic structure and the inclusion of extended solvation in considering the elementary kinetics is discussed. C1 [Janik, Michael J.] Penn State Univ, Dept Chem Engn, University Pk, PA 16802 USA. [Taylor, Christopher D.] Los Alamos Natl Lab, Los Alamos, NM USA. [Neurock, Matthew] Univ Virginia, Dept Chem & Chem Engn, Charlottesville, VA 22904 USA. RP Janik, MJ (reprint author), Penn State Univ, Dept Chem Engn, University Pk, PA 16802 USA. EM mn4n@virginia.edu FU Army Research Office-MURI [DAAD19-03-1-0169]; Department of Energy Basic Energy Science [DEFG02-07ER15894] FX The authors gratefully acknowledge the financial support from the Army Research Office-MURI grant no. DAAD19-03-1-0169 and the Department of Energy Basic Energy Science grant no. DEFG02-07ER15894. The authors acknowledge very helpful discussions with Tom Zawodzinski, Andrzej Wieckowski, Sanjeev Mukerjee, and Al Anderson. Computational resources at the Environmental Molecular Sciences Laboratory at Pacific Northwest National Laboratory were used, in part, to complete this research as well as computing resources at the U. S. Army Research Laboratory Major Shared Resource Center. NR 57 TC 114 Z9 115 U1 11 U2 109 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2009 VL 156 IS 1 BP B126 EP B135 DI 10.1149/1.3008005 PG 10 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 376UZ UT WOS:000261209800033 ER PT J AU Kan, CC Wachsman, ED AF Kan, C. C. Wachsman, E. D. TI Identifying Drivers of Catalytic Activity Through Systematic Surface Modification of Cathode Materials SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE catalysis; cathodes; electrochemical electrodes; lanthanum compounds; surface chemistry; X-ray photoelectron spectra ID RAY PHOTOELECTRON-SPECTROSCOPY; OXYGEN TRACER DIFFUSION; PEROVSKITE-TYPE OXIDES; MN-O SYSTEM; FUEL-CELLS; THERMAL-DECOMPOSITION; ISOTOPIC EXCHANGE; OXIDATION; XPS; IRON AB To systematically study the effect of surface composition on the catalytic activity for oxygen exchange, (La0.8Sr0.2)(0.98)MnO3 +/-delta (LSM) powder was infiltrated with various metal nitrate solutions (La, Sr, Co, Fe) and then calcined to deposit the resultant metal oxide on the surface of the powder. The elements chosen for LSM infiltration were selected because they are the metal constituents of La0.6Sr0.4Co0.2Fe0.8O3-delta (LSCF), which is initially a much more active cathode material. Results from LSM show a stronger effect from the addition of B site elements; thus, LSCF was correspondingly infiltrated with manganese. By comparing the different surfaces, a better understanding of the underlying drivers of catalytic activity is gained. X-ray photoelectron spectroscopy (XPS) spectra of the infiltrated powders were compared to those of LSM and LSCF to detect differences in surface properties. The catalytic activity was examined using temperature-programmed isotope exchange, where labeled oxygen was used to determine the temperature at which the material begins to exchange oxygen with the gas phase. Cobalt infiltration improved the performance of LSM the most, while iron reduced the apparent activity. This behavior is attributed to the oxygen-surface bond strength of the oxides. Overall, LSCF remains the most active material studied, even though it contains more iron than cobalt on the B site. According to XPS, the iron on the surface of the infiltrated LSM and that on the surface of LSCF are electronically, different, while the cobalt on both surfaces are similar. Therefore, the surface composition cannot be the only consideration in predicting catalytic properties. Furthermore, surface modification did not change the apparent rate-limiting step for oxygen reduction in the infiltrated materials. C1 [Kan, C. C.; Wachsman, E. D.] Univ Florida, UF DOE High Temp Electrochem Ctr, Gainesville, FL 32611 USA. RP Kan, CC (reprint author), Univ Florida, UF DOE High Temp Electrochem Ctr, Gainesville, FL 32611 USA. EM ewach@mse.ufl.edu FU Department of Energy [DE-AC-05-76RL01830] FX This work was supported by the Department of Energy under contract no. DE-AC-05-76RL01830. The authors thank Eric Armstrong for his help characterizing the nitrate solutions. BET analysis was done at the Particle Engineering Research Center at the University of Florida. XRD and XPS (collected by Eric Lambers) were performed at the Major Analytical Instrumentation Center (MAIC) at the University of Florida. The authors are thankful to Dr. Scott Perry and Eric Lambers for reviewing the XPS data interpretation. TEM-EDS was made possible with the aid of Kerry Siebein from MAIC. Additional thanks goes to Dr. Craciun of MAIC for his assistance in analyzing XRD data. NR 47 TC 27 Z9 27 U1 0 U2 17 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 EI 1945-7111 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2009 VL 156 IS 6 BP B695 EP B702 DI 10.1149/1.3110983 PG 8 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 440ZF UT WOS:000265737600017 ER PT J AU Kleis, J Jones, G Abild-Pedersen, F Tripkovic, V Bligaard, T Rossmeisl, J AF Kleis, Jesper Jones, Glenn Abild-Pedersen, Frank Tripkovic, Vladimir Bligaard, Thomas Rossmeisl, Jan TI Trends for Methane Oxidation at Solid Oxide Fuel Cell Conditions SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID HETEROGENEOUS CATALYSIS; STRUCTURE SENSITIVITY; ANODE MATERIALS; SOFC-ANODE; STABILIZED ZIRCONIA; HYDROGEN; ADSORPTION; SURFACE; NI; KINETICS AB First-principles calculations are used to predict a plausible reaction pathway for the methane oxidation reaction. In turn, this pathway is used to obtain trends in methane oxidation activity at solid oxide fuel cell (SOFC) anode materials. Reaction energetics and barriers for the elementary reaction steps on both the close-packed Ni{111} and stepped Ni{211} surfaces are presented. Quantum-mechanical calculations augmented with thermodynamic corrections allow appropriate treatment of the elevated temperatures in SOFCs. Linear scaling relationships are used to extrapolate the results from the Ni surfaces to other metals of interest. This allows the reactivity over the different metals to be understood in terms of two reactivity descriptors, namely, the carbon and oxygen adsorption energies. By combining a simple free-energy analysis with microkinetic modeling, activity landscapes of anode materials can be obtained in terms of these two descriptors. This not only simplifies the view of the oxidation process but it also gives insight into which reaction pathways are likely to be dominant over the different transition-metal anode materials. Most importantly, it reveals the properties the ideal alloy catalyst should possess. (C) 2009 The Electrochemical Society. [DOI: 10.1149/1.3230622] All rights reserved. C1 [Kleis, Jesper; Jones, Glenn; Abild-Pedersen, Frank; Tripkovic, Vladimir; Bligaard, Thomas; Rossmeisl, Jan] Tech Univ Denmark, Ctr Atom Scale Mat Design, Dept Phys, DK-2800 Lyngby, Denmark. [Abild-Pedersen, Frank] Computat Mat Design ApS, DK-2800 Lyngby, Denmark. [Bligaard, Thomas] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Kleis, J (reprint author), Tech Univ Denmark, Ctr Atom Scale Mat Design, Dept Phys, DK-2800 Lyngby, Denmark. EM kleis@fysik.dk RI Rossmeisl, Jan/A-5714-2011; Bligaard, Thomas/A-6161-2011; Abild-Pedersen, Frank/C-3248-2014; Tripkovic, Vladimir/C-3571-2015 OI Rossmeisl, Jan/0000-0001-7749-6567; Bligaard, Thomas/0000-0001-9834-9179; Abild-Pedersen, Frank/0000-0002-1911-074X; Tripkovic, Vladimir/0000-0003-4629-043X FU Lundbeck Foundation; Danish National Advanced Technology Foundation FX The Center for Atomic-scale Materials Design is funded by the Lundbeck Foundation. This work was supported by the Danish National Advanced Technology Foundation. The calculations were performed with the help from the Danish Center for Scientific Computing. NR 58 TC 9 Z9 9 U1 0 U2 18 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2009 VL 156 IS 12 BP B1447 EP B1456 DI 10.1149/1.3230622 PG 10 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 512BZ UT WOS:000271218900024 ER PT J AU Paulauskas, IE Katz, JE Jellison, GE Lewis, NS Boatner, LA Brown, GM AF Paulauskas, I. E. Katz, J. E. Jellison, G. E., Jr. Lewis, N. S. Boatner, L. A. Brown, G. M. TI Growth, Characterization, and Electrochemical Properties of Doped n-Type KTaO3 Photoanodes SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID SOLAR-ENERGY CONVERSION; POTASSIUM TANTALATE; PHOTOELECTROCHEMICAL CELLS; FARADAY ROTATION; WATER; PHOTOELECTROLYSIS; ELECTROLYSIS; IRRADIATION; TRANSPORT; CRYSTALS AB The effects of compositionally induced changes on the semiconducting properties, optical response, chemical stability, and overall performance of KTaO3 photoanodes in photoelectrochemical (PEC) cells have been investigated. Single crystals of n-type Ca- and Ba-doped KTaO3 with carrier concentrations ranging from 0.45 to 11.5 x 10(19) cm(-3) were grown and characterized as photoanodes in basic aqueous electrolyte PEC cells. The PEC properties of the crystals, including the photocurrent, photovoltage, and flatband potential in contact with 8.5 M NaOH(aq) were relatively independent of whether Ca or Ba was used to produce the semiconducting form of KTaO3. All of the Ca- or Ba-doped KTaO3 single-crystal photoanodes were chemically stable in the electrolyte and, based on the open-circuit potential and the band-edge positions, were capable of unassisted photochemical H-2 and O-2 evolution from H2O. The minority-carrier diffusion lengths values were small and comparable to the depletion region width. Photoanodic currents were only observed for photoanode illumination with light above the bandgap (i. e., lambda < 340 nm). The maximum external quantum yield occurred at lambda = 255 nm (4.85 eV), and the depletion width plus the minority-carrier diffusion length ranged from 20 to 65 nm for the various KTaO3-based photoanode materials. (C) 2009 The Electrochemical Society. [DOI: 10.1149/1.3089281] All rights reserved. C1 [Paulauskas, I. E.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Katz, J. E.; Lewis, N. S.] CALTECH, Beckman Inst, Pasadena, CA 91125 USA. [Katz, J. E.; Lewis, N. S.] CALTECH, Kavli Nanosci Inst, Div Chem & Chem Engn, Pasadena, CA 91125 USA. [Jellison, G. E., Jr.; Boatner, L. A.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Boatner, L. A.] Oak Ridge Natl Lab, Ctr Radiat Detect Mat & Syst, Oak Ridge, TN 37831 USA. [Brown, G. M.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Paulauskas, IE (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM ipaulaus@utk.edu RI Katz, Jordan/B-1560-2010; Boatner, Lynn/I-6428-2013; Katz, Jordan/J-5599-2016 OI Boatner, Lynn/0000-0002-0235-7594; Katz, Jordan/0000-0002-6242-2124 FU U.S. Department of Energy [DE-AC05-00OR22725]; Office of Basic Energy Sciences [DE-FG0Z-03ERI5483] FX This research was sponsored by the Division of Materials Science and Engineering, Office of Basic Energy Sciences, U.S. Department of Energy, under contract no. DE-AC05-00OR22725 with Oak Ridge National Laboratory, managed and operated by UT-Battelle, LLC, and by the Office of Basic Energy Sciences, under grant no. DE-FG0Z-03ERI5483 with the California Institute of Technology. The authors acknowledge, with thanks, the contributions of J.O. Ramey, J. A. Kolopus, and H. E. Harmon to various aspects of this work. NR 34 TC 13 Z9 13 U1 0 U2 19 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2009 VL 156 IS 5 BP B580 EP B587 DI 10.1149/1.3089281 PG 8 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 427LI UT WOS:000264780400013 ER PT J AU Staser, JA Norman, K Fujimoto, CH Hickner, MA Weidner, JW AF Staser, John A. Norman, Kirsten Fujimoto, Cy H. Hickner, Michael A. Weidner, John W. TI Transport Properties and Performance of Polymer Electrolyte Membranes for the Hybrid Sulfur Electrolyzer SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID PROTON-EXCHANGE MEMBRANE; HYDROGEN-PRODUCTION; PEM ELECTROLYZER; WATER; STATE; ACID AB The water transport and SO(2) crossover in the hybrid sulfur cycle electrolyzer were quantified for a poly(phenylene)-based proton exchange membrane and compared to the performance of industry-standard Nafion membranes. While Nafion exhibits good performance, there exists the possibility of a significant SO(2) crossover, which can modify the electrode composition, consume current that should be used for hydrogen production, introduce SO(2) to the hydrogen stream, and result in a loss of sulfur from the system. Recent research has focused on poly(phenylene)-based membranes that have exhibited high current density with good stability (both chemical and temperature) while limiting SO(2) crossover. In this paper, we extend our previous water-transport-modeling work on Nafion membranes to this polymer electrolyte and directly compare the two in terms of electrolyzer performance and SO(2) crossover. We show the ability of poly(phenylene) membranes to operate at elevated temperatures with improved performance over lower temperatures; the high temperature performance exceeds that of Nafion membranes. (C) 2009 The Electrochemical Society. [DOI: 10.1149/1.3129676] All rights reserved. C1 [Staser, John A.; Weidner, John W.] Univ S Carolina, Ctr Electrochem Engn, Dept Chem Engn, Columbia, SC 29208 USA. [Norman, Kirsten; Fujimoto, Cy H.] Sandia Natl Labs, Chem & Biol Syst Dept, Albuquerque, NM 87123 USA. [Hickner, Michael A.] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. RP Staser, JA (reprint author), Univ S Carolina, Ctr Electrochem Engn, Dept Chem Engn, Columbia, SC 29208 USA. EM weidner@engr.sc.edu OI Weidner, John/0000-0002-3928-9740 FU U.S. Department of Energy [DE-FC07-06ID14752]; U.S. Department of Energy's National Nuclear Security Administration [DEAC04-94AL85000]; Penn State Materials Research Institute; Penn State Institutes of Energy and the Environment FX The authors thank the U.S. Department of Energy for funding this work (no. DE-FC07-06ID14752) and the DOE Nuclear Energy Program work at Sandia National Laboratories, with special appreciation to Milton Vernon and Paul Pickard at Sandia for technical discussions. 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 no. DEAC04-94AL85000. M.A.H. acknowledges the Penn State Materials Research Institute and the Penn State Institutes of Energy and the Environment for partial support. NR 18 TC 9 Z9 9 U1 0 U2 4 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2009 VL 156 IS 7 BP B842 EP B847 DI 10.1149/1.3129676 PG 6 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 469HQ UT WOS:000267887500028 ER PT J AU Woo, LY Glass, RS Gorte, RJ Orme, CA Nelson, AJ AF Woo, Leta Y. Glass, Robert S. Gorte, Raymond J. Orme, Christine A. Nelson, A. J. TI Dynamic Changes in LSM Nanoparticles on YSZ: A Model System for Non-Stationary SOFC Cathode Behavior SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID YTTRIA-STABILIZED ZIRCONIA; PULSED-LASER DEPOSITION; FUEL-CELL CATHODES; SURFACE-DIFFUSION; OXYGEN REDUCTION; INTERFACE; STOICHIOMETRY; POLARIZATION; ORIENTATION; ACTIVATION AB The interaction between nanoparticles of strontium-doped lanthanum manganite (LSM) and single-crystal yttria-stabilized zirconia (YSZ) was investigated using atomic force microscopy, X-ray photoelectron spectroscopy (XPS), and scanning electron microscopy (SEM)/energy-dispersive X-ray spectroscopy (EDX). Nanoparticles of LSM were deposited directly onto single-crystal YSZ (100) substrates using an ultrasonic spray nozzle. As samples were annealed from 850 to 1250 degrees C, nanoparticles gradually decreased in height and eventually disappeared completely. Subsequent reduction in H(2)/H(2)O at 700 degrees C resulted in the reappearance of nanoparticles. Studies were carried out on identical regions of the sample, allowing the same nanoparticles to be characterized at different temperatures. Morphological changes indicate the formation of a thin layer of LSM, and XPS results support the observation by indicating an increase in signal from the La and Sr and a decrease in signal from the Y and Zr with increasing temperature. SEM/EDX was used to verify that the nanoparticles in the reduced sample contained La. The changes in the LSM/YSZ morphology may be important in explaining the nonstationary behavior observed in operating solid-oxide fuel cells (SOFCs). The thin layer of LSM initially results in poor cathode performance; reducing conditions then lead to film disruptions, indicating nano/microporosity, that increase oxygen ion diffusion and performance. (C) 2009 The Electrochemical Society. [DOI: 10.1149/1.3095516] All rights reserved. C1 [Woo, Leta Y.; Glass, Robert S.; Orme, Christine A.; Nelson, A. J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Gorte, Raymond J.] Univ Penn, Dept Chem & Biomol Engn, Philadelphia, PA 19104 USA. RP Woo, LY (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM woo21@llnl.gov RI Orme, Christine/A-4109-2009 FU Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; U.S. Department of Energy [DE-FG0205ER15721] 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. Support was provided by the U.S. Department of Energy's Hydrogen Fuel Initiative (grant DE-FG0205ER15721). NR 29 TC 12 Z9 12 U1 5 U2 14 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2009 VL 156 IS 5 BP B602 EP B608 DI 10.1149/1.3095516 PG 7 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 427LI UT WOS:000264780400016 ER PT J AU Yang, RZ Dahn, TR Dahn, JR AF Yang, Ruizhi Dahn, Tara R. Dahn, J. R. TI Fe-N-C Oxygen-Reduction Catalysts Supported on "Burned-Off" Activated Carbon SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE catalysts; heat treatment; iron compounds; nitrogen compounds; X-ray scattering ID FUEL-CELL CONDITIONS; ELECTROCATALYSTS; ELECTROREDUCTION; PARAMETERS; COMPLEXES; MODEL; FILMS; XPS AB Fe-N-C oxygen-reduction catalysts were prepared by impregnating FeCl(3) within two kinds of commercially available activated carbon (Kuraray GC and Nuchar) that had been previously "burned off" at 500 degrees C in air to vary their pore sizes in a controlled way. The impregnated samples were subsequently heated at 850 degrees C in NH(3). The average pore size of the samples was determined by small-angle X-ray scattering measurements and quantified by the radius of gyration (R(g)) of the pores. The catalytic activities of the samples varied with the pore size of the activated carbon, which depended on the burn-off time. The results support suggestions from the Dodelet group [J. Phys. Chem. B 110, 5553 (2006)] about the importance of pore size in determining catalytic activity. C1 [Yang, Ruizhi; Dahn, Tara R.; Dahn, J. R.] Dalhousie Univ, Dept Phys & Atmospher Sci, Halifax, NS B3H 3J5, Canada. RP Yang, RZ (reprint author), Stanford Linear Accelerator Ctr, SLAC Natl Accelerator Lab, Stanford Synchrotron Radiat Light Source, Menlo Pk, CA 94025 USA. EM jeff.dahn@dal.ca FU Natural Sciences and Engineering Research Council of Canada (NSERC) FX This work was supported by the Natural Sciences and Engineering Research Council of Canada (NSERC) in the Strategic Grants program. NR 37 TC 14 Z9 14 U1 2 U2 19 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2009 VL 156 IS 4 BP B493 EP B498 DI 10.1149/1.3079338 PG 6 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 412IG UT WOS:000263717900023 ER PT J AU Yoon, KJ Zink, PA Gopalan, S Pal, UB Pederson, LR AF Yoon, Kyung Joong Zink, Peter A. Gopalan, Srikanth Pal, Uday B. Pederson, Larry R. TI Defect Chemistry and Electrical Properties of (La0.8Ca0.2)(0.95)FeO3-delta SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID OXIDE FUEL-CELLS; SUBSTITUTED LANTHANUM FERRITE; LA(SR)FEO3 SOFC CATHODE; TRANSPORT-PROPERTIES; OXYGEN NONSTOICHIOMETRY; ELECTRONIC CONDUCTIVITY; LA1-XCAXFEO3-Y SYSTEM; HOPPING CONDUCTIVITY; CATALYTIC-PROPERTIES; SEEBECK COEFFICIENT AB A-site-doped lanthanum ferrite perovskites are considered to be promising cathode materials for the lower temperature operation of solid oxide fuel cells due to their high catalytic activity, mixed electronic and ionic conductivities at reduced temperature, and adjustable thermal-expansion coefficient. The defect chemistry and electrical properties of (La0.8Ca0.2)(0.95)FeO3-delta were studied using thermogravimetry and dc electrical conductivity measurements at temperatures 550 <= T <= 850 degrees C in the oxygen partial pressure range of 0.001 <= (Po2) <= 1 atm. A point-defect model was developed, and the mass-action coefficients for the oxygen-exchange reaction at various temperatures were determined by fitting thermogravimetry data into the model. Equilibrium defect concentrations were calculated as a function of temperature and oxygen partial pressure based on the defect modeling results. Electrical conductivity measurements indicated that (La0.8Ca0.2)(0.95)FeO3-delta is a p-type conductor. At low temperature, conductivity increased with temperature, which reflected thermally activated conduction behavior. At high temperatures, conductivity decreased with temperature because the conductivity was mainly affected by a decrease in the hole concentration due to the progressive formation of oxygen vacancies at the expense of holes. Hole mobility under various conditions was determined using electric conductivity data and equilibrium hole concentrations, and the relationship between the mobility and temperature indicated a nonadiabatic, small polaron hopping conduction mechanism with activation energies of 0.149-0.310 eV. The effects of temperature and oxygen partial pressure on the defect structure and electronic conduction were discussed in detail. (C) 2009 The Electrochemical Society. [DOI: 10.1149/1.3123284] All rights reserved. C1 [Yoon, Kyung Joong; Zink, Peter A.; Gopalan, Srikanth; Pal, Uday B.] Boston Univ, Dept Mech Engn, Div Mat Sci & Engn, Boston, MA 02215 USA. [Pederson, Larry R.] Pacific NW Natl Lab, Mat Synth & Modificat Grp, Richland, WA 99352 USA. RP Yoon, KJ (reprint author), Boston Univ, Dept Mech Engn, Div Mat Sci & Engn, Boston, MA 02215 USA. EM upal@bu.edu RI Zink, Peter/H-5466-2011 NR 45 TC 14 Z9 15 U1 2 U2 19 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2009 VL 156 IS 7 BP B795 EP B800 DI 10.1149/1.3123284 PG 6 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 469HQ UT WOS:000267887500020 ER PT J AU Holcomb, GR AF Holcomb, Gordon R. TI Steam Oxidation and Chromia Evaporation in Ultrasupercritical Steam Boilers and Turbines SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE alloys; blades; boilers; chromium compounds; coal; corrosion protection; diffusion; evaporation; high-temperature effects; oxidation; pipes; turbines ID OXIDE HYDROXIDE EVAPORATION; REACTIVE-EVAPORATION; UNDERLYING ALLOY; POWER-PLANTS; WATER-VAPOR; CR ALLOYS; KINETICS; 304L AB The U.S. Department of Energy's goals include power generation from coal at 60% efficiency, which requires steam conditions of up to 760 degrees C and 340 atm, so-called ultrasupercritical conditions. Evaporation of protective chromia scales is a primary corrosion mechanism. A methodology to calculate Cr evaporation rates from chromia scales was developed and combined with Cr diffusion calculations within the alloy (with a constant flux of Cr leaving the alloy from evaporation) to predict Cr concentration profiles and to predict the time until breakaway oxidation. At the highest temperatures and pressures, the time until breakaway oxidation was quite short for the turbine blade, and of concern within the steam pipe and the higher temperature portions of the superheater tube. Alloy additions such as Ti may allow for a reduction in evaporation rate with time, mitigating the deleterious effects of chromia evaporation. C1 US DOE, Natl Energy Technol Lab, Albany, OR 97321 USA. RP Holcomb, GR (reprint author), US DOE, Natl Energy Technol Lab, Albany, OR 97321 USA. EM gordon.holcomb@netl.doe.gov RI Holcomb, Gordon/G-9070-2013 OI Holcomb, Gordon/0000-0003-3542-5319 NR 33 TC 15 Z9 15 U1 1 U2 13 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2009 VL 156 IS 9 BP C292 EP C297 DI 10.1149/1.3155442 PG 6 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 475ZB UT WOS:000268405400026 ER PT J AU Bhandari, A Hearne, SJ Sheldon, BW Soni, SK AF Bhandari, Abhinav Hearne, Sean J. Sheldon, Brian W. Soni, Sumit K. TI Microstructural Origins of Saccharin-Induced Stress Reduction in Electrodeposited Ni SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE electroplating; grain boundaries; metallic thin films; nickel; organic compounds; tensile strength ID NICKEL-SULFUR SYSTEM; TENSILE STRESSES; THIN-FILMS; SEGREGATION; SUBSTRATE; MODEL AB In this work, we provide direct evidence of the fundamental mechanism through which saccharin, a standard industrial Ni electroplating additive, reduces stress in electrodeposited Ni. This was accomplished using real-time in situ stress measurements taken during through-mask electrodeposition of Ni films from a bath where the saccharin concentration was varied. This technique facilitated the direct measure of the effect of saccharin on the stress created at the Ni island boundaries. We demonstrated that increased saccharin concentration in a Ni-sulfamate-based bath resulted in a systematic reduction in the tensile grain-boundary coalescence stress. Based on this and ex situ S concentration measurements of the Ni films, we propose that the reduction in tensile stress was the result of a reduction in the grain-boundary energy due to S incorporation at the island boundaries. C1 [Bhandari, Abhinav; Sheldon, Brian W.; Soni, Sumit K.] Brown Univ, Div Engn, Providence, RI 02912 USA. [Bhandari, Abhinav; Hearne, Sean J.; Soni, Sumit K.] Sandia Natl Labs, Albuquerque, NM 87106 USA. RP Bhandari, A (reprint author), Brown Univ, Div Engn, Providence, RI 02912 USA. EM sjhearn@sandia.gov FU Basic Energy Science Center for Integrated Nanotechnologies; National Science Foundation [DMR-0520651-IRG1]; U.S. Department of Energy's National Nuclear Security Administration [DEAC04-94AL85000]; Office of FreedomCAR and Vehicle Technologies; U.S. Department of Energy [DE-AC05-00OR22725] FX The authors thank Allan Bower, Jerry Floro, Bob Ellis, and Harry M. Meyer. This work was supported by the DOE Office of Basic Energy Science Center for Integrated Nanotechnologies. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lock-heed Martin Company, for the U.S. Department of Energy's National Nuclear Security Administration under contract no. DEAC04-94AL85000. This research also made use of the MRSEC Shared Experimental Facilities at Brown University, supported by the National Science Foundation (no. DMR-0520651-IRG1). Research was partially sponsored by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of FreedomCAR and Vehicle Technologies, as part of the High Temperature Materials Laboratory User Program, Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U.S. Department of Energy under contract no. DE-AC05-00OR22725. NR 20 TC 25 Z9 29 U1 1 U2 24 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2009 VL 156 IS 8 BP D279 EP D282 DI 10.1149/1.3142363 PG 4 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 468ET UT WOS:000267798500038 ER PT J AU Roper, CS Radmilovic, V Howe, RT Maboudian, R AF Roper, Christopher S. Radmilovic, Velimir Howe, Roger T. Maboudian, Roya TI Electrical and Mechanical Characterization of Doped and Annealed Polycrystalline 3C-SiC Thin Films SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article DE annealing; chemical vapour deposition; diffusion; doping profiles; electrical resistivity; internal stresses; semiconductor growth; semiconductor thin films; silicon compounds; wide band gap semiconductors ID MICROMACHINED SILICON-CARBIDE; CHEMICAL-VAPOR-DEPOSITION; RESIDUAL-STRESS; STRAIN GRADIENT; LPCVD REACTOR; SIC FILMS; 1,3-DISILABUTANE; POLYSILICON; FABRICATION; PRESSURE AB +Deposition of doped polycrystalline 3C-SiC thin films from the precursors 1,3-disilabutane (DSB) and dichlorosilane (DCS), and the dopant precursor ammonia is investigated in a large-scale low-pressure chemical vapor deposition (LPCVD) reactor for micro- and nanoelectromechanical systems (M/NEMS) applications. Films deposited from only DSB and NH3 have residual stresses in excess of 1.8 GPa tensile and resistivity values of >4.8 Omega cm. Addition of DCS yields films that exhibit mechanical and electrical properties more favorable for M/NEMS devices. For films deposited with DCS, electrical resistivity varies between 100 Omega cm for undoped, as-deposited films to 0.02 Omega cm for films doped with 0.95 at % nitrogen. Residual stress of films deposited from DSB, DCS, and NH3 varies little for as-deposited films with different doping concentrations; however, annealing in an argon ambient shifts residual stress toward, and in some cases, into the compressive regime. The strain gradient, which is less than 8x10(-4) mu m(-1) in magnitude for all as-deposited films from DSB, DCS, and NH3, shifts to large negative values in excess of 10(-2) mu m(-1) upon annealing for 8 h at 1050 degrees C in an argon ambient. Two sources of stress shift with annealing are identified, namely oxygen diffusion and a change in N atom bonding. C1 [Roper, Christopher S.; Maboudian, Roya] Univ Calif Berkeley, Berkeley Sensor & Actuator Ctr, Dept Chem Engn, Berkeley, CA 94720 USA. [Radmilovic, Velimir] Univ Calif Berkeley, Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [Howe, Roger T.] Stanford Univ, Dept Elect Engn, Stanford, CA 94305 USA. RP Roper, CS (reprint author), HRL Labs LLC, Malibu, CA 90265 USA. EM maboudia@berkeley.edu FU DARPA [N66001-03-1-8915]; NSF; Director, Office of Science, Office of Basic Energy Studies, Materials Sciences, and Engineering Division of the U. S. Department of Energy [DE-AC02-05CH1123] FX Financial support from DARPA (grant no. N66001-03-1-8915), a NSF graduate fellowship (C.S.R.), and the Director, Office of Science, Office of Basic Energy Studies, Materials Sciences, and Engineering Division of the U. S. Department of Energy under contract no. DE-AC02-05CH1123 is gratefully acknowledged. NR 37 TC 7 Z9 7 U1 1 U2 14 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 EI 1945-7111 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2009 VL 156 IS 1 BP D5 EP D10 DI 10.1149/1.3000002 PG 6 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 376UZ UT WOS:000261209800048 ER PT J AU Seo, H Chung, KB Long, JP Lucovsky, G AF Seo, H. Chung, K. B. Long, J. P. Lucovsky, G. TI Preparation of Native Oxide and Carbon-Minimized Ge Surface by NH(4)OH-Based Cleaning for High-k/Ge MOS Gate Stacks SO JOURNAL OF THE ELECTROCHEMICAL SOCIETY LA English DT Article ID SCANNING-TUNNELING-MICROSCOPY; GE(100) SURFACES; SUBSTRATE; GE(111); SI; INTERFACES; LAYER; AIR; MBE; CL AB The native oxide and carbon-contaminant-minimized Ge surface with ammonium hydroxide (NH(4)OH)-based cleaning for high-k/Ge metal-oxide-semiconductor (MOS) gate stack application is reported. Furthermore, the carbon-free interfacial Ge-oxide layer preparation on the cleaned Ge surfaces was also studied. The thickness of GeO(2) on Ge surface before, during, and after different cleaning processes was evaluated by the spectroscopic ellipsometry measurements. The HF rinsing step in the cyclic HF/deionized water cleaning was not effective for a removal of native GeO(2) because it cannot form the soluble species by a chemical reaction in the low pH HF solution. A cyclic NH(4)OH-based cleaning results in a minimum residual GeO(2) at 3 and 8 angstrom on Ge(111) and (100), respectively. The fast regrowth of GeO(2) on cleaned Ge surfaces under air exposure was observed, regardless of the cleaning methods. However, Auger electron spectroscopy spectra showed less amount of carbon on Ge surfaces with NH(4)OH-based cleaning than HF-based cleaning. The small amount of residual carbon after NH(4)OH-based wet cleaning was completely removed by O(2) plasma for a very thin (similar to 10 angstrom) surface oxidation in the remote plasma-enhanced chemical vapor deposition chamber. (C) 2009 The Electrochemical Society. [DOI:10.1149/1.3212848] All rights reserved. C1 [Seo, H.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Seo, H.] Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Chem, Berkeley, CA 94720 USA. [Chung, K. B.; Long, J. P.; Lucovsky, G.] N Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA. RP Seo, H (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM lucovsky@ncsu.edu NR 30 TC 12 Z9 12 U1 1 U2 7 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 0013-4651 J9 J ELECTROCHEM SOC JI J. Electrochem. Soc. PY 2009 VL 156 IS 11 BP H813 EP H817 DI 10.1149/1.3212848 PG 5 WC Electrochemistry; Materials Science, Coatings & Films SC Electrochemistry; Materials Science GA 502KJ UT WOS:000270457600060 ER PT J AU Delph, TJ Zimmerman, JA Rickman, JM Kunz, JM AF Delph, T. J. Zimmerman, J. A. Rickman, J. M. Kunz, J. M. TI A local instability criterion for solid-state defects SO JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS LA English DT Article DE Mechanical instability; Atomistic analysis; Cavitation and fracture ID ELASTIC-CONSTANTS; CRYSTAL AB The loss of mechanical stability is a general phenomenon that underlies a wide variety of features in the behavior of crystalline materials' In this paper, we present an instability criterion that is of general applicability, subject to the restriction of low temperatures. The criterion is applied to two situations, that of hydrostatically induced cavitation and of quasi-brittle crack growth due to mode I loading. As judged by the results of independent molecular statics simulations, the predictions of the criterion are quite accurate. (C) 2008 Elsevier Ltd. All rights reserved. C1 [Delph, T. J.; Kunz, J. M.] Lehigh Univ, Dept Mech Engn & Mech, Bethlehem, PA 18015 USA. [Zimmerman, J. A.] Sandia Natl Labs, Livermore, CA 94550 USA. [Rickman, J. M.] Lehigh Univ, Dept Mat Sci & Engn, Bethlehem, PA 18015 USA. RP Delph, TJ (reprint author), Lehigh Univ, Dept Mech Engn & Mech, Bethlehem, PA 18015 USA. EM tjdl@lehigh.edu RI Zimmerman, Jonathan/A-8019-2012 FU Sandia Corporation, a Lockheed-Martin Company, for the United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed-Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 16 TC 11 Z9 11 U1 0 U2 5 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0022-5096 J9 J MECH PHYS SOLIDS JI J. Mech. Phys. Solids PD JAN PY 2009 VL 57 IS 1 BP 65 EP 73 DI 10.1016/j.jmps.2008.10.005 PG 9 WC Materials Science, Multidisciplinary; Mechanics; Physics, Condensed Matter SC Materials Science; Mechanics; Physics GA 388ZM UT WOS:000262059300005 ER PT J AU Itoh, S Nakayama, T Kajimoto, R Adams, MA AF Itoh, Shinichi Nakayama, Tsuneyoshi Kajimoto, Ryoichi Adams, Mark A. TI Single-Length-Scaling Analysis for Antiferromagnetic Fractons in Dilute Heisenberg System RbMn0.4Mg0.6F3 SO JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN LA English DT Article DE fractals; classical spin models; dynamic properties; neutron inelastic scattering ID SPIN-WAVES; PERCOLATING ANTIFERROMAGNET; EXCITATIONS; SCATTERING; VIBRATIONS; RESOLUTION; CROSSOVER; DYNAMICS; FRACTALS; LIGHT AB The dynamic structure factors S(q, omega) of an ideal percolating network, the three-dimensional (3d) dilute Heisenberg anti ferromagnet RbMn0.4Mg0.6F3. obtained from high resoluton (Delta E = 17.5 mu eV) inelastic neutron scattering (INS) experiments are analyzed for the first time within the framework of the single-length-scaling postulate (SLSP). The analysis confirms the validity of the SLSP and is also used to extract the values of the key exponents governing the spin dynamics. the dynamic exponent (z(AF) = D-f/(d) over bar (AF)) being 2.5 +/- 0.1 and the spectral dimension (d) over bar (AF) for antiferromagnetic (AFM) fractons taking a value of unity. C1 [Itoh, Shinichi; Kajimoto, Ryoichi] High Energy Accelerator Res Org, Inst Mat Struct Sci, Neutron Sci Lab, Tsukuba, Ibaraki 3050801, Japan. [Nakayama, Tsuneyoshi] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Adams, Mark A.] Rutherford Appleton Lab, ISIS Facil, Didcot 0X11 OQX, Oxon, England. RP Itoh, S (reprint author), High Energy Accelerator Res Org, Inst Mat Struct Sci, Neutron Sci Lab, 1-1 Oho, Tsukuba, Ibaraki 3050801, Japan. EM shinichi.itoh@kek.jp FU Ministry of Education, Culture, Sports, Science and Technology, Japan [16GS0417]; U.S. DOE; Office of Science [DE-AC02-06CH11357]; Office of Basic Energy Sciences [DE-FG02-05ER46241] FX This work was performed under the Japan-UK Collaboration Program on Neutron Scattering, and supported by a Grant-in-Aid for Creative Scientific Research (No. 16GS0417) from the Ministry of Education, Culture, Sports, Science and Technology, Japan. One of the authors (T.N.) was supported by the U.S. DOE, Office of Science, Office of Basic Energy Sciences, under Contract DE-FG02-05ER46241 at MIT and the U.S. DOE, Office of Science, operated tinder Contract DE-AC02-06CH11357 at ANL. NR 20 TC 3 Z9 3 U1 0 U2 15 PU PHYSICAL SOC JAPAN PI TOKYO PA YUSHIMA URBAN BUILDING 5F, 2-31-22 YUSHIMA, BUNKYO-KU, TOKYO, 113-0034, JAPAN SN 0031-9015 J9 J PHYS SOC JPN JI J. Phys. Soc. Jpn. PD JAN PY 2009 VL 78 IS 1 AR 013707 DI 10.1143/JPSJ.78.013707 PG 4 WC Physics, Multidisciplinary SC Physics GA 406IC UT WOS:000263287200017 ER PT J AU Mukuda, H Nishide, S Harada, A Iwasaki, K Yogi, M Yashima, M Kitaoka, Y Tsujino, M Takeuchi, T Settai, R Onuki, Y Bauer, E Itoh, KM Haller, EE AF Mukuda, Hidekazu Nishide, Sachihiro Harada, Atsushi Iwasaki, Kaori Yogi, Mamoru Yashima, Mitsuharu Kitaoka, Yoshio Tsujino, Masahiko Takeuchi, Tetsuya Settai, Rikio Onuki, Yoshichika Bauer, Ernst Itoh, Kohei M. Haller, Eugene E. TI Multiband Superconductivity in Heavy Fermion Compound CePt3Si without Inversion Symmetry: An NMR Study on a High-Quality Single Crystal SO JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN LA English DT Article DE non-centrosymmetric superconductivity; CePt3Si; antiferromagnetism; NMR ID PRESSURE-INDUCED SUPERCONDUCTIVITY; ANTIFERROMAGNETISM; CERH2SI2; CECU2SI2; CERHIN5; SURFACE; PHASE AB We report on novel superconducting characteristics of the heavy fermion (HF) superconductor CePt3Si without inversion symmetry through Pt-195-NMR study on a single crystal with T-c = 0.46 K that is lower than T-c similar to 0.75 K for polycrystals. We show that the intrinsic superconducting characteristics inherent to CePt3Si can be understood in terms of the unconventional strong-coupling state with a line-node gap below T-c = 0.46 K. The mystery about the sample dependence oh T-c is explained by the fact that more or less polycrystals and single crystals inevitably contain some disordered domains, which exhibit a conventional BCS s-wave superconductivity (SC) below 0.8 K. In contrast, the Neel temperature T-N similar to 2.2 K is present regardless of the quality of samples, revealing that the Fermi surface responsible for SC differ from that for the antiferromagnetic order. These unusual characteristics of CePt3Si can be also described by a multiband model; in the homogeneous domains, the coherent HF bands are responsible for the unconventional SC, whereas in the disordered domains the conduction bands existing commonly in LaPt3Si may be responsible for the conventional s-wave SC. We remark that some impurity scatterings in the disordered domains break up the 4f-electrons-derived coherent bands but not others. In this context, the small peak in 1/T-1 just below T-c reported before [Yogi et al. (2004)] is not due to a two-component order parameter composed of spin-ringlet and spin-triplet Cooper pairing states, but due to the contamination of the disorder domains which are in the s-wave SC state. C1 [Mukuda, Hidekazu; Nishide, Sachihiro; Harada, Atsushi; Iwasaki, Kaori; Yogi, Mamoru; Yashima, Mitsuharu; Kitaoka, Yoshio] Osaka Univ, Grad Sch Engn Sci, Osaka 5608531, Japan. [Tsujino, Masahiko; Takeuchi, Tetsuya; Settai, Rikio; Onuki, Yoshichika] Osaka Univ, Grad Sch Sci, Dept Phys, Osaka 5600043, Japan. [Yogi, Mamoru] Univ Ryukyus, Fac Sci, Dept Phys, Okinawa 9030213, Japan. [Bauer, Ernst] Vienna Univ Technol, Inst Solid State Phys, A-1040 Vienna, Austria. [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 Mukuda, H (reprint author), Osaka Univ, Grad Sch Engn Sci, Osaka 5608531, Japan. EM mukuda@mp.es.osaka-u.ac.jp RI Itoh, Kohei/C-5738-2014 NR 66 TC 23 Z9 24 U1 0 U2 10 PU PHYSICAL SOC JAPAN PI TOKYO PA YUSHIMA URBAN BUILDING 5F, 2-31-22 YUSHIMA, BUNKYO-KU, TOKYO, 113-0034, JAPAN SN 0031-9015 J9 J PHYS SOC JPN JI J. Phys. Soc. Jpn. PD JAN PY 2009 VL 78 IS 1 AR 014705 DI 10.1143/JPSJ.78.014705 PG 9 WC Physics, Multidisciplinary SC Physics GA 406IC UT WOS:000263287200031 ER PT J AU Ning, FL Ahilan, K Imai, T Sefat, AS Jin, RY McGuire, MA Sales, BC Mandrus, D AF Ning, Fanlong Ahilan, Kanagasingham Imai, Takashi Sefat, Athena S. Jin, Ronying McGuire, Michael A. Sales, Brian C. Mandrus, David TI Spin Susceptibility, Phase Diagram, and Quantum Criticality in the Eelctron-Doped High T-c Superconductor Ba(Fe1-xCox)(2)As-2 SO JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN LA English DT Article DE iron pnictide superconductor; high temperature superconductivity; NMR; quantum criticality ID DYNAMICS; ORDER AB We report a systematic investigation of Ba(Fe1-xCox)(2)As-2 based on transport and As-75 NMR measurements, and establish the electronic phase diagram. We demonstrate that doping progressively suppresses the uniform spin susceptibility and low frequency spin fluctuations. The optimum superconducting phase emerges at x(c) similar or equal to 0.08 when the tendency toward spin ordering completely diminishes. Our findings point toward the presence of a quantum critical point near x(c) between the SDW (spin density wave) and superconducting phases. C1 [Ning, Fanlong; Ahilan, Kanagasingham; Imai, Takashi] McMaster Univ, Dept Phys & Astron, Hamilton, ON L8S 4M1, Canada. [Imai, Takashi] Canadian Inst Adv Res, Toronto, ON M5G 1Z8, Canada. [Sefat, Athena S.; Jin, Ronying; McGuire, Michael A.; Sales, Brian C.; Mandrus, David] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Ning, FL (reprint author), McMaster Univ, Dept Phys & Astron, Hamilton, ON L8S 4M1, Canada. EM imai@mcmaster.ca RI McGuire, Michael/B-5453-2009; Mandrus, David/H-3090-2014; Sefat, Athena/R-5457-2016 OI McGuire, Michael/0000-0003-1762-9406; Sefat, Athena/0000-0002-5596-3504 FU NSERC; CFI; CIFAR; Division of Materials and Engineering, Office of Basic Sciences FX T.I. acknowledges financial support by NSERC, CFI, and CIFAR. Work at ORNL was supported by the Division of Materials and Engineering, Office of Basic Sciences. A portion of this work was performed by Eugene P. Wigner Fellows at ORNL. NR 27 TC 139 Z9 139 U1 2 U2 20 PU PHYSICAL SOC JAPAN PI TOKYO PA YUSHIMA URBAN BUILDING 5F, 2-31-22 YUSHIMA, BUNKYO-KU, TOKYO, 113-0034, JAPAN SN 0031-9015 J9 J PHYS SOC JPN JI J. Phys. Soc. Jpn. PD JAN PY 2009 VL 78 IS 1 AR 013711 DI 10.1143/JPSJ.78.013711 PG 4 WC Physics, Multidisciplinary SC Physics GA 406IC UT WOS:000263287200021 ER PT J AU Mentus, S Mojovic, Z Radmilovic, V AF Mentus, Slavko Mojovic, Zorica Radmilovic, Velimir TI The use of NaX zeolite as a template to obtain a mono-atomic Pt dispersion by impregnation with Pt(II) acetylacetonate/acetone solution SO JOURNAL OF THE SERBIAN CHEMICAL SOCIETY LA English DT Article DE HRTEM imaging; impregnation technique; NaX zeolitc; Pt(II)-acetylacetonate; platinum-modified zeolite ID MODIFIED ELECTRODES; PLATINUM CLUSTERS; FAUJASITE ZEOLITES; CATALYTIC-ACTIVITY; RHODIUM; ELECTROCATALYSTS; NANOPARTICLES; ADSORPTION; REDUCTION; IRIDIUM AB The incorporation of platinum into the cavities of NaX zeolite was realized by impregnation and thermal decomposition of the organometallic compound Pt(II)-acetylacetonate dissolved in acetone. A high dispersion of platinum to predominantly mono-atomic particles was achieved thanks to the tight fit of the Pt(II)-acetylacetonate molecules in the aperture of the zeolite supercage. Using the high angle annular dark field imaging technique of HRTEM, individual Pt particles situated within the zeolite crystals were, for the first time, clearly visible. This offers new possibilities of studying the distribution of incorporated metal particles along the crystal depth. C1 [Mentus, Slavko] Univ Belgrade, Fac Phys Chem, Belgrade 11000, Serbia. [Mojovic, Zorica] ICTM, Dept Catalysis & Chem Engn, Belgrade 11000, Serbia. [Radmilovic, Velimir] Univ Calif Berkeley, Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. RP Mentus, S (reprint author), Univ Belgrade, Fac Phys Chem, Studentski Trg 12, Belgrade 11000, Serbia. EM slavko@ffh.bg.ac.rs NR 40 TC 7 Z9 7 U1 2 U2 12 PU SERBIAN CHEMICAL SOC PI BELGRADE PA KARNEGIJEVA 4, 11 120 BELGRADE, SERBIA SN 0352-5139 J9 J SERB CHEM SOC JI J. Serb. Chem. Soc. PY 2009 VL 74 IS 10 BP 1113 EP 1123 DI 10.2298/JSC0910113M PG 11 WC Chemistry, Multidisciplinary SC Chemistry GA 506BD UT WOS:000270746600010 ER PT J AU Amar, AJ Blackwell, BF Edwards, JR AF Amar, A. J. Blackwell, B. F. Edwards, J. R. TI Development and Verification of a One-Dimensional Ablation Code Including Pyrolysis Gas Flow SO JOURNAL OF THERMOPHYSICS AND HEAT TRANSFER LA English DT Article; Proceedings Paper CT AIAA 39th Thermophysics Conference CY JUN 25-28, 2007 CL Miami, FL SP AIAA ID CONTROL-VOLUME PROCEDURE; THERMAL RESPONSE AB The development and verification of a one-dimensional material thermal response code with ablation is presented. The implicit time integrator, control volume finite element spatial discretization, and Newton's method for nonlinear iteration on the entire system of residual equations have been implemented and verified for the thermochemical ablation of internally decomposing materials. The study covers decomposing materials including decomposition kinetics, pyrolysis gas flow through the porous char layer, and a mixture (solid and gas) energy equation. A verification problem intended to examine the implementation of the math model is presented for the thermochemical ablation of a carbon-phenolic ablator that exercises every term in the system of governing equations. C1 [Amar, A. J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Edwards, J. R.] N Carolina State Univ, Dept Mech & Aerosp Engn, Raleigh, NC 27695 USA. [Blackwell, B. F.] Blackwell Consulting, Corrales, NM 87048 USA. RP Amar, AJ (reprint author), NASA, Johnson Space Ctr, Houston, TX 77058 USA. NR 19 TC 14 Z9 16 U1 0 U2 6 PU AMER INST AERONAUT ASTRONAUT PI RESTON PA 1801 ALEXANDER BELL DRIVE, STE 500, RESTON, VA 22091-4344 USA SN 0887-8722 J9 J THERMOPHYS HEAT TR JI J. Thermophys. Heat Transf. PD JAN-MAR PY 2009 VL 23 IS 1 BP 59 EP 71 DI 10.2514/1.36882 PG 13 WC Thermodynamics; Engineering, Mechanical SC Thermodynamics; Engineering GA 400BH UT WOS:000262842500007 ER PT J AU Lee, S Busby, AL Timchalk, C Poet, TS AF Lee, S. Busby, A. L. Timchalk, C. Poet, T. S. TI Effects of Nicotine Exposure on In Vitro Metabolism of Chlorpyrifos in Male Sprague-Dawley Rats SO JOURNAL OF TOXICOLOGY AND ENVIRONMENTAL HEALTH-PART A-CURRENT ISSUES LA English DT Article ID HUMAN LIVER-MICROSOMES; TIME-COURSE; ORGANOPHOSPHATE INSECTICIDES; DEVELOPMENTAL NEUROTOXICITY; ACETYLCHOLINE-RECEPTORS; PESTICIDES CHLORPYRIFOS; SENSORIMOTOR DEFICITS; BRAIN-DEVELOPMENT; CYTOCHROMES P450; EXPERT PANEL AB The routine use of tobacco products may modify key metabolizing systems, which will further impact the metabolism of environmental contaminants. The objective of this study was to quantify the effect of repeated in vivo exposures to nicotine, a major pharmacologically active component of cigarette smoke, on in vitro metabolism of chlorpyrifos (CPF). CPF is an organophosphorus (OP) insecticide that is metabolized by cytochrome P-450 (CYP450) to its major metabolites, chlorpyrifos-oxon (CPF-oxon) and 3,5,6-trichloro-2-pyridinol (TCP). Male Sprague-Dawley rats were dosed subcutaneously with 1 mg nicotine/kg for 1, 7, or 10 d. Rats were sacrificed 4 or 24 h after the last nicotine treatment, and liver microsomes were prepared. The microsomes were incubated with varying concentrations of CPF and the production of the metabolites CPF-oxon and TCP were measured. The metabolism of CPF to the active oxon metabolite did not show significant changes following repeated nicotine treatments, evidenced by the unchanged pseudo first-order clearance rate of Vmax/Kmapp. The Vmax describing the metabolism of CPF to the inactive metabolite, TCP was increased in 24-h postdosing groups, after both single and repeated treatments of nicotine. In contrast, the metabolism to TCP was unchanged in groups evaluated at 4 h (single or repeated) post nicotine dosing. Some basic marker substrate activities were also investigated to ensure that nicotine exerted effects on CYP450 activities. Total P450 reduced spectra were not altered by nicotine treatment, but marker substrate activities for CYP1A and CYP2E1 were increased at 24 h after the single treatment, and marker substrate activity for CYP2B was decreased 4 h after 7 d of treatment. Results of this in vitro study suggest that repeated nicotine exposure may result in altered metabolism of CPF. Future in vivo experiments based on these results need to be conducted to ascertain the impact of in vivo nicotine exposures on CPF metabolism in rats. C1 [Lee, S.; Busby, A. L.; Timchalk, C.; Poet, T. S.] Pacific NW Natl Lab, Ctr Biol Monitoring & Modeling, Richland, WA 99352 USA. RP Poet, TS (reprint author), Pacific NW Natl Lab, Ctr Biol Monitoring & Modeling, 902 Battelle Blvd,POB 999,MSIN P7-59, Richland, WA 99352 USA. EM torka.poet@pnl.gov FU Centers for Disease Control and Prevention (CDC); CDC/NIOSH [R01-OH003629] FX Although the research described in this article has been funded by the Centers for Disease Control and Prevention (CDC) and CDC/NIOSH grant R01-OH003629, it has not been subject to any CDC/NIOSH review and therefore does not necessarily reflect the official views of the agency; its contents are solely the responsibility of the authors and no public endorsement should be inferred. NR 55 TC 5 Z9 5 U1 1 U2 8 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 1528-7394 J9 J TOXICOL ENV HEAL A JI J. Toxicol. Env. Health Part A PY 2009 VL 72 IS 2 BP 74 EP 82 AR PII 906008879 DI 10.1080/15287390802477288 PG 9 WC Environmental Sciences; Public, Environmental & Occupational Health; Toxicology SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Toxicology GA 376NI UT WOS:000261189900003 PM 19034796 ER PT J AU Livescu, D Ristorcelli, JR Gore, RA Dean, SH Cabot, WH Cook, AW AF Livescu, D. Ristorcelli, J. R. Gore, R. A. Dean, S. H. Cabot, W. H. Cook, A. W. TI High-Reynolds number Rayleigh-Taylor turbulence SO JOURNAL OF TURBULENCE LA English DT Article DE Rayleigh-Taylor instability; DNS; variable density turbulence; turbulent mixing; moment closure; anisotropy ID NUMERICAL SIMULATIONS; INSTABILITY; TRANSITION AB The turbulence generated in the variable density Rayleigh-Taylor mixing layer is studied using the high-Reynolds number fully resolved 30723 numerical simulation of Cabot and Cook (Nature Phys. 2 (2006), pp. 562-568). The simulation achieves bulk Reynolds number, Re = H(H) over dot/nu = 32, 000, turbulent Reynolds number, Re(t) = (k) over tilde (2)/nu epsilon = 4600, and Taylor Reynolds number, R(lambda) = 170. The Atwood number, A, is 0.5, and the Schmidt number, Sc, is 1. Typical density fluctuations, while modest, being one quarter the mean density, lead to non-Boussinesq effects. A comprehensive study of the variable density energy budgets for the kinetic energy, mass flux and density specific volume covariance equations is undertaken. Various asymmetries in the mixing layer, not seen in the Boussinesq case, are identified and explained. Hypotheses for the variable density turbulent transport necessary to close the second moment equations are studied. It is found that, even though the layer width becomes temporally self-similar relatively fast, the transient effects in the energy spectrum remain important for the duration of the simulation. Thus, the dissipation does not track the spectral energy cascade rate and the integral lengthscale does not follow the expected Kolmogorov scaling, (k) over tilde (3/2)/epsilon. As a result, the popular eddy diffusivity expression, nu(t) similar to (k) over tilde (2)/epsilon, does not model the temporal variation of the turbulent transport in any of the moment equations. An eddy diffusivity based on a lengthscale related to the layer width is found to work well in a gradient transport hypothesis for the turbulent transport; however, that lengthscale is a global quantity and does not lead to pointwise, local closure. Therefore, although the transient effects may vanish asymptotically, it is suggested that, even long after the onset of the self-similar growth, two separate lengthscale equations ( or equivalent) are needed in a moment closure strategy for Rayleigh-Taylor turbulence: one for the turbulent transport and the other for the dissipation. Despite the fact that the intermediate scales are nearly isotropic, the small scales have a persistent anisotropy; this is due to a cancellation between the viscous and nonlinear effects, so that the anisotropic buoyancy production remains important at the smallest scales. C1 [Livescu, D.; Ristorcelli, J. R.; Gore, R. A.; Dean, S. H.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. [Cabot, W. H.; Cook, A. W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Livescu, D (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. EM livescu@lanl.gov OI Livescu, Daniel/0000-0003-2367-1547 NR 18 TC 9 Z9 9 U1 0 U2 9 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1468-5248 J9 J TURBUL JI J. Turbul. PY 2009 VL 10 IS 13 BP 1 EP 32 DI 10.1080/14685240902870448 PG 32 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA 457ZM UT WOS:000266978400001 ER PT J AU Claycomb, W Shin, DW AF Claycomb, William Shin, Dongwan TI A User Controlled Approach for Securing Sensitive Information in Directory Services SO JOURNAL OF UNIVERSAL COMPUTER SCIENCE LA English DT Article DE Directory; Security and Protection AB Enterprise directory services are commonly used in enterprise systems to store object information relating to employees, computers, contacts, etc. These stores can act as information providers or sources for authentication and access control decisions, and could potentially contain sensitive information. An insider attack, particularly if carried out using administrative privileges, could compromise large amounts of directory information. We present two solutions for protecting directory services information from insider attacks. The first is a centralized approach utilizing a customized virtual directory server. The second is a distributed approach using existing key management infrastructure and a new component called a Personal Virtual Directory Service. We explain how these solutions interact with existing directory services and client applications. We also show how impact to existing users, client applications, and directory services are minimized, and how we prevent insider attacks from revealing protected data. We compare and contrast both solutions, including potential tradeoffs, administrative overhead, and enterprise systems impact. Additionally, our solution is supported by implementation results showing the impact to client performance and directory storage capacity. C1 [Claycomb, William] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Shin, Dongwan] New Mexico Tech Univ, Dept Comp Sci, Secure Comp Lab, Socorro, NM USA. RP Claycomb, W (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM wrclayc@sandia.gov; doshin@nmt.edu FU National Science Foundation [NSF-IIS-0916875] FX This work was partially supported at the Secure Computing Laboratory at New Mexico Tech by the grant from the National Science Foundation (NSF-IIS-0916875). NR 13 TC 1 Z9 1 U1 0 U2 0 PU GRAZ UNIV TECHNOLGOY, INST INFORMATION SYSTEMS COMPUTER MEDIA-IICM PI GRAZ PA INFFELDGASSE 16C, GRAZ, A-8010, AUSTRIA SN 0948-695X J9 J UNIVERS COMPUT SCI JI J. Univers. Comput. Sci. PY 2009 VL 15 IS 15 BP 2999 EP 3018 PG 20 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA 538IP UT WOS:000273178100006 ER PT J AU Anderson, CN Naulleau, PP AF Anderson, Christopher N. Naulleau, Patrick P. TI Deprotection blur in extreme ultraviolet photoresists: Influence of base loading and post-exposure bake temperature SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B LA English DT Article ID EUV PHOTORESISTS; SHOT-NOISE; RESOLUTION; SENSITIVITY AB The deprotection blur of Rohm and Haas XP 5435, XP 5271, and XP 5496 extreme ultraviolet photoresists has been determined as their base weight percent is varied. The authors have also determined the deprotection blur of TOK EUVR P1123 photoresist as the post-exposure bake temperature is varied from 80 to 120 degrees C. In Rohm and Haas XP 5435 and XP 5271 resists seven times and three times (respective) increases in base weight percent reduce the size of successfully patterned 1:1 line-space features by 16 and 8 nm with corresponding reductions in deprotection blur of 7 and 4 nm. In XP 5496 a seven times increase in base weight percent reduces the size of successfully patterned 1:1 line-space features from 48 to 38 nm without changing deprotection blur. In TOK EUVR P1123 resist, a reduction in post-exposure bake temperature from 100 to 80 degrees C reduces deprotection blur from 21 to 10 nm and reduces patterned line-edge roughness from 4.8 to 4.1 nm. (C) 2009 American Vacuum Society. [DOI:10.1116/1.3032901] C1 [Anderson, Christopher N.] Univ Calif Berkeley, Appl Sci & Technol Grad Grp, Berkeley, CA 94720 USA. [Naulleau, Patrick P.] Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. RP Anderson, CN (reprint author), Univ Calif Berkeley, Appl Sci & Technol Grad Grp, Berkeley, CA 94720 USA. EM cnanderson@berkeley.edu RI Anderson, Christopher/H-9526-2015 OI Anderson, Christopher/0000-0002-2710-733X FU NSF EUV Engineering Research Center; U.S. Department of Energy FX The authors are greatly indebted to Paul Denham, Ken Goldberg, Brian Hoef, Gideon Jones, and Jerrin Chiu of the Center for X-Ray Optics at Lawrence Berkeley National Laboratory for expert support with the exposure tool as well as the entire CXRO engineering team for building and maintaining the EUV exposure tool. The authors also acknowledge Jim Thackeray and Katherine Spear from Rohm and Haas, and Koki Tamura, Chris Rosenthal, and Dave White at TOK for supplying resist and process support. The authors also acknowledge Robert Brainard and Gregg Gallatin for valuable discussions related to this work. The authors are grateful for support from the NSF EUV Engineering Research Center. This research was performed at Lawrence Berkeley National Laboratory using the SEMATECH-supported MET exposure facility at the Advanced Light Source. Lawrence Berkeley National Laboratory is operated under the auspices of the Director, Office of Science, Office of Basic Energy Science, of the U.S. Department of Energy. NR 19 TC 3 Z9 3 U1 0 U2 2 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 1071-1023 J9 J VAC SCI TECHNOL B JI J. Vac. Sci. Technol. B PD JAN-FEB PY 2009 VL 27 IS 1 BP 6 EP 10 DI 10.1116/1.3032901 PG 5 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA 442KB UT WOS:000265839000002 ER PT J AU Naulleau, PP Anderson, CN Chiu, J Dean, K Denham, P George, S Goldberg, KA Hoef, B Jones, G Koh, C La Fontaine, B Ma, A Montgomery, W Niakoula, D Park, JO Wallow, T Wurm, S AF Naulleau, Patrick P. Anderson, Christopher N. Chiu, Jerrin Dean, Kim Denham, Paul George, Simi Goldberg, Kenneth A. Hoef, Brian Jones, Gideon Koh, Chawon La Fontaine, Bruno Ma, Andy Montgomery, Warren Niakoula, Dimitra Park, Joo-on Wallow, Tom Wurm, Stefan TI Latest results from the SEMATECH Berkeley extreme ultraviolet microfield exposure tool SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B LA English DT Article ID LINE-EDGE ROUGHNESS; LITHOGRAPHY AB Microfield exposure tools (METs) continue to play a dominant role in the development of extreme ultraviolet resists. One of these tools is the 0.3 numerical aperture SEMATECH Berkeley MET operating as a resist and mask test center. Here the authors present an update on this tool, summarizing the latest test and characterization results. They provide an update on the long-term aberration stability of the tool and present line-space imaging in chemically amplified photoresist down to the 20 nm half-pitch level. Although resist development has shown substantial progress in the area of resolution, line edge roughness (LER) remains a significant concern. In this manuscript the authors further present a summary of recent LER performance results and consider the effect of mask contributors to the LER observed from the SEMATECH Berkeley MET. (C) 2009 American Vacuum Society. [DOI: 10.1116/1.3043473] C1 [Naulleau, Patrick P.; Chiu, Jerrin; Denham, Paul; George, Simi; Goldberg, Kenneth A.; Hoef, Brian; Jones, Gideon; Niakoula, Dimitra] Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. [Anderson, Christopher N.] Univ Calif Berkeley, Appl Sci & Technol Grad Grp, Berkeley, CA 94720 USA. [Dean, Kim; Koh, Chawon; Montgomery, Warren; Wurm, Stefan] SEMATECH, Albany, NY 12203 USA. [La Fontaine, Bruno; Wallow, Tom] Adv Micro Devices Inc, Sunnyvale, CA 94088 USA. [Ma, Andy] Intel Corp, Santa Clara, CA 95052 USA. [Park, Joo-on] Samsung Elect, Hwasung City 445701, Gyeonggi Do, South Korea. RP Naulleau, PP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. EM pnaulleau@lbl.gov FU SEMATECH; DOE, Office of Science, Basic Energy Sciences FX The authors are greatly indebted to Kevin Bradley; Rene Delano, Jeff Gamsby, Eric Gullikson, Bob Gunion, Ron Oort, Ron Tackaberry, and Farhad Salmassi for expert engineering, technical, and fabrication support. The authors are also grateful to Koki Tamura, Chris Rosenthal, and Dave White of TOK, Shinji Tarutani of Fujifilm, and Jim Thackeray and Katherine Spear of Rohm and Haas for resist support. This work was supported by SEMATECH and carried out at Lawrence Berkeley National Laboratory's Advanced Light Source, which was supported by the DOE, Office of Science, Basic Energy Sciences. NR 19 TC 13 Z9 13 U1 0 U2 1 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 1071-1023 J9 J VAC SCI TECHNOL B JI J. Vac. Sci. Technol. B PD JAN-FEB PY 2009 VL 27 IS 1 BP 66 EP 70 DI 10.1116/1.3043473 PG 5 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA 442KB UT WOS:000265839000014 ER PT J AU Ding, BQ Cabrini, S Zuckermann, RN Bokor, J AF Ding, Baoquan Cabrini, Stefano Zuckermann, Ronald N. Bokor, Jeffrey TI DNA directed assembly of nanoparticle linear structure for nanophotonics SO JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B LA English DT Article; Proceedings Paper CT 52nd International Conference on Electron, Ion and Photon Beam Technology and Nanofabrication CY MAY 27-30, 2008 CL Portland, OR ID ARRAYS; SURFACE AB Assemblies of metal nanospheres have-shown interesting properties for nanophotonics. Here the authors describe a method to use robust DNA multicrossover molecules to organize Au nanoparticles with different sizes to form well controlled linear chain structures with desired distance below 10 nm between the particles. Au particles with only one piece of DNA attached are purified individually. Three different sizes DNA-Au conjugates then hybridize with five other DNA strands to form the stiff triple crossover (TX) motif. The linkage position of Au on the TX motif is designed so that the Au particles are organized in a well controlled linear fashion. Precise control of the distances between the Au particles can be also achieved by design of the linkage position. This arrangement of Au nanoparticle linear structures meets the requirement to construct an efficient nanolens. [DOI: 10.1116/1.3072515] C1 [Ding, Baoquan; Cabrini, Stefano; Zuckermann, Ronald N.; Bokor, Jeffrey] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Ding, BQ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM bding@lbl.gov; scabrini@lbl.gov RI Zuckermann, Ronald/A-7606-2014; Bokor, Jeffrey/A-2683-2011 OI Zuckermann, Ronald/0000-0002-3055-8860; NR 13 TC 5 Z9 6 U1 0 U2 18 PU A V S AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 1071-1023 J9 J VAC SCI TECHNOL B JI J. Vac. Sci. Technol. B PD JAN-FEB PY 2009 VL 27 IS 1 BP 184 EP 187 DI 10.1116/1.3072515 PG 4 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Applied SC Engineering; Science & Technology - Other Topics; Physics GA 442KB UT WOS:000265839000034 ER PT J AU Elliott, SL Choi, SS Doble, N Hardy, JL Evans, JW Werner, JS AF Elliott, Sarah L. Choi, Stacey S. Doble, Nathan Hardy, Joseph L. Evans, Julia W. Werner, John S. TI Role of high-order aberrations in senescent changes in spatial vision SO JOURNAL OF VISION LA English DT Article DE aging; contrast sensitivity; spatial vision; adaptive optics; high-order aberration ID CONTRAST SENSITIVITY DECLINE; WAVE-FRONT ABERRATIONS; VISUAL CORTICAL-CELLS; HUMAN EYE; MONOCHROMATIC ABERRATIONS; OPTICAL-PERFORMANCE; CRYSTALLINE LENS; ADAPTIVE OPTICS; IMAGE QUALITY; AGE AB The contributions of optical and neural factors to age-related losses in spatial vision are not fully understood. We used closed-loop adaptive optics to test the visual benefit of correcting monochromatic high-order aberrations (HOAs) on spatial vision for observers ranging in age from 18 to 81 years. Contrast sensitivity was measured monocularly using a two-alternative forced-choice (2AFC) procedure for sinusoidal gratings over 6 mm and 3 mm pupil diameters. Visual acuity was measured using a spatial 4AFC procedure. Over a 6 mm pupil, young observers showed a large benefit of AO at high spatial frequencies, whereas older observers exhibited the greatest bene. tat middle spatial frequencies, plus a significantly larger increase in visual acuity. When age-related miosis is controlled, young and old observers exhibited a similar benefit of AO for spatial vision. An increase in HOAs cannot account for the complete senescent decline in spatial vision. These results may indicate a larger role of additional optical factors when the impact of HOAs is removed, but also lend support for the importance of neural factors in age-related changes in spatial vision. C1 [Elliott, Sarah L.; Choi, Stacey S.; Evans, Julia W.; Werner, John S.] Univ Calif Davis, Dept Ophthalmol & Vis Sci, Sacramento, CA 95817 USA. [Elliott, Sarah L.; Werner, John S.] Univ Calif Davis, Dept Psychol, Sacramento, CA 95817 USA. [Doble, Nathan] Iris AO Inc, Berkeley, CA USA. [Hardy, Joseph L.] Posit Sci Corp, San Francisco, CA USA. [Evans, Julia W.] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Elliott, SL (reprint author), Univ Calif Davis, Dept Ophthalmol & Vis Sci, 4860 Y St,Suite 2400, Sacramento, CA 95817 USA. EM slelliott@ucdavis.edu FU National Institute on Aging [AG04058]; Research to Prevent Blindness Senior Scientist Award FX This work was supported by funds from the National Institute on Aging (grant AG04058) and a Research to Prevent Blindness Senior Scientist Award to J.S. Werner. We thank Steve Jones for technical support for the AO system, and Susan Garcia for assistance with subject recruitment and screening. NR 53 TC 27 Z9 29 U1 1 U2 4 PU ASSOC RESEARCH VISION OPHTHALMOLOGY INC PI ROCKVILLE PA 12300 TWINBROOK PARKWAY, ROCKVILLE, MD 20852-1606 USA SN 1534-7362 J9 J VISION JI J. Vision PY 2009 VL 9 IS 2 AR 24 DI 10.1167/9.2.24 PG 16 WC Ophthalmology SC Ophthalmology GA 422TE UT WOS:000264449800024 ER PT J AU Yilmaz, N Donaldson, AB Gill, W Lucero, RE AF Yilmaz, N. Donaldson, A. B. Gill, W. Lucero, R. E. TI Imaging of Flame Behavior in Flickering Methane/Air Diffusion Flames SO JOURNAL OF VISUALIZATION LA English DT Article CT 9th International Symposium on Fluid Control, Measurement and Visualization CY SEP 17-19, 2007 CL Tallahassee, FL DE High Speed Imaging; Air Entrainment; Flame Visualization; Diffusion Flame Oscillation ID GASEOUS FLAMES; INSTABILITY; VISUALIZATION; VELOCIMETRY; MOTION AB During this study, flow visualization through the use of imaging provided visual data of the events that occurred as the flame oscillated. Imaging was performed in two different ways: 1) the first method was phase-locked imaging to capture a detailed history by simply advancing the phase angle during each image capture, 2) the second method involved high-speed imaging to gather visual image data of a natural or forced oscillating flame. For visualization, two items were considered. The first one was the shape of the flame envelope as it evolved during one oscillation cycle. From the data gathered, it was confirmed that the flame stretched in the vertical direction before quenching in the region near its center. The second consideration was imaging of the oxidizer (air) in the region immediately outside the flame. This was done by imaging the laser light reflected from particles seeded into the flow, which revealed formation of vortical structures in those regions where quenching had occurred. It was noted that quenching took place primarily by the entrainment of fresh non-reacting air into the flame. The quenching process was in turn responsible for the oscillatory behavior. C1 [Yilmaz, N.] New Mexico Inst Min & Technol, Dept Mech Engn, Socorro, NM 87801 USA. [Donaldson, A. B.; Gill, W.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Lucero, R. E.] New Mexico State Univ, Dept Mech Engn, Las Cruces, NM 88003 USA. RP Yilmaz, N (reprint author), New Mexico Inst Min & Technol, Dept Mech Engn, Socorro, NM 87801 USA. EM yilmaznadir@yahoo.com NR 23 TC 3 Z9 3 U1 1 U2 3 PU IOS PRESS PI AMSTERDAM PA NIEUWE HEMWEG 6B, 1013 BG AMSTERDAM, NETHERLANDS SN 1343-8875 J9 J VISUAL-JAPAN JI J. Vis. PY 2009 VL 12 IS 1 BP 47 EP 55 PG 9 WC Computer Science, Interdisciplinary Applications; Imaging Science & Photographic Technology SC Computer Science; Imaging Science & Photographic Technology GA 410UB UT WOS:000263602700010 ER PT J AU Bitter, M Hill, KW Jones, F Scott, S AF Bitter, M. Hill, K. W. Jones, F. Scott, S. TI Non-astigmatic imaging with matched pairs of spherically bent crystals or reflectors SO JOURNAL OF X-RAY SCIENCE AND TECHNOLOGY LA English DT Article DE Non-astigmatic imaging; large angles of incidence and uniform magnification; imaging of biological samples; EUV lithography; x-ray diagnosis of laser-produced plasmas; monochromatic radiation from synchrotron light sources AB This paper defines the exact conditions for the application of a previously proposed, general, non-astigmatic, imaging scheme, consisting of a matched pair of spherically bent crystals or reflectors, to x rays. These conditions lead to two specific experimental arrangements, of which one can provide large magnifications. Potential applications include the x-ray diagnosis of laser-produced plasmas and x-ray imaging of, e. g., biological samples, using the highly monochromatic radiation at synchrotron light sources. The results obtained for x rays are, however, valid for a wide spectrum of the electromagnetic radiation so that, for instance, an application of one of the imaging schemes to lithography in the EUV wavelength range should also be possible, if the spherically bent crystals are replaced by appropriate spherical reflectors. Also described is the design of an x-ray crystal spectrometer, which meets the here defined, necessary requirements for the observation of the x-ray spectra of helium-like argon. C1 [Bitter, M.; Hill, K. W.; Jones, F.; Scott, S.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Bitter, M (reprint author), Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. EM bitter@pppl.gov FU US Department of Energy [DE-ACO2-76-CHO-3073]; Princeton Plasma Physics Laboratory FX We gratefully acknowledge many fruitful discussions with N. Kugland, S. Glenzer, and P. Beiersdorfer, who also agreed to test the here proposed x-ray imaging schemes at the Callisto laser facility and the Electron Beam Ion Trap at the Lawrence Livermore National Laboratory. We also gratefully acknowledge the support of this work by the US Department of Energy Contract No. DE-ACO2-76-CHO-3073 and the Laboratory Directed Research and Development Funds of the Princeton Plasma Physics Laboratory. NR 7 TC 4 Z9 4 U1 0 U2 2 PU IOS PRESS PI AMSTERDAM PA NIEUWE HEMWEG 6B, 1013 BG AMSTERDAM, NETHERLANDS SN 0895-3996 J9 J X-RAY SCI TECHNOL JI J. X-Ray Sci. Technol. PY 2009 VL 17 IS 2 BP 153 EP 160 DI 10.3233/XST-2009-0219 PG 8 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA 489RM UT WOS:000269439700004 PM 19696468 ER PT S AU Rodriguez, MA Watkins, JH AF Rodriguez, Marko A. Watkins, Jennifer H. BE Velasquez, JD Rios, SA Howlett, RJ Jain, LC TI Faith in the Algorithm, Part 2: Computational Eudaemonics SO KNOWLEDGE-BASED AND INTELLIGENT INFORMATION AND ENGINEERING SYSTEMS, PT II, PROCEEDINGS SE Lecture Notes in Artificial Intelligence LA English DT Proceedings Paper CT 13th International Conference on Knowledge-Based Intelligent Information and Engineering Systems CY SEP 28-30, 2009 CL Univ Chile, Fac Phys Sci & Math, Santiago, CHILE SP Millennium Inst Complex Engn Syst, Chilean Govt, Millennium Sci Initiat, Univ Chile, Dept Ind Engn HO Univ Chile, Fac Phys Sci & Math AB Eudaemonics is the study of the nature, causes, and conditions of human well-being. According to the ethical theory of eudaemonia, reaping satisfaction and fulfillment from life is not only a desirable end, but a moral responsibility. However, in modern society, many individuals struggle to meet this responsibility. Computational mechanisms Could better enable individuals to achieve eudaemonia, by yielding practical real-world systems that embody algorithms that promote human flourishing. This article presents eudaemonic systems as the evolutionary goal of the present day recommender system. C1 [Rodriguez, Marko A.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Watkins, Jennifer H.] Los Alamos Natl Lab, Internatl & Appl Technol, Los Alamos, NM 87545 USA. RP Rodriguez, MA (reprint author), Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. EM marko@lanl.gov; jhw@lanl.gov NR 13 TC 1 Z9 1 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-04591-2 J9 LECT NOTES ARTIF INT PY 2009 VL 5712 BP 813 EP + PG 2 WC Computer Science, Artificial Intelligence SC Computer Science GA BMS40 UT WOS:000273459700101 ER PT B AU Agovic, A Banerjee, A Ganguly, AR Protopopescu, V AF Agovic, Amrudin Banerjee, Arindam Ganguly, Auroop R. Protopopescu, Vladimir BE Ganguly, AR Gama, J Omitaomu, OA Gaber, MM Vatsavai, RR TI Anomaly Detection in Transportation Corridors Using Manifold Embedding SO KNOWLEDGE DISCOVERY FROM SENSOR DATA SE Industrial Innovation Series LA English DT Article; Book Chapter AB The formation of secure transportation corridors, where cargoes and shipments from points of entry can be dispatched safely to highly sensitive and secure locations, is a high national priority. One of the key tasks of the program is the detection of anomalous cargo based on sensor readings in truck weigh stations. Due to the high variability, dimensionality, and/or noise content of sensor data in transportation corridors, appropriate feature representation is crucial to the success of anomaly detection methods in this domain. In this chapter, we empirically investigate the usefulness of manifold embedding methods for feature representation in anomaly detection problems in the domain of transportation corridors. We focus on both linear methods, such as multi-dimensional scaling (MDS), as well as nonlinear methods, such as locally linear embedding (LLE) and isometric feature mapping (ISOMAP). Our study indicates that such embedding methods provide a natural mechanism for keeping anomalous points away from the dense/normal regions in the embedding of the data. We illustrate the efficacy of manifold embedding methods for anomaly detection through experiments on simulated data as well as real truck data from weigh stations. C1 [Agovic, Amrudin; Banerjee, Arindam] Univ Minnesota, Dept Comp Sci & Engn, St Paul, MN USA. [Ganguly, Auroop R.; Protopopescu, Vladimir] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN USA. RP Agovic, A (reprint author), Univ Minnesota, Dept Comp Sci & Engn, St Paul, MN USA. NR 34 TC 11 Z9 11 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-8232-6 J9 IND INNOV SER PY 2009 BP 81 EP 106 PG 26 WC Business; Computer Science, Interdisciplinary Applications; Engineering, Manufacturing; Engineering, Electrical & Electronic; Management SC Business & Economics; Computer Science; Engineering GA BJY05 UT WOS:000267390500007 ER PT B AU Randeniya, DIB Gunaratne, M Sarkar, S AF Randeniya, Duminda I. B. Gunaratne, Manjriker Sarkar, Sudeep BE Ganguly, AR Gama, J Omitaomu, OA Gaber, MM Vatsavai, RR TI Fusion of Vision Inertial Data for Automatic Georeferencing SO KNOWLEDGE DISCOVERY FROM SENSOR DATA SE Industrial Innovation Series LA English DT Article; Book Chapter DE Multisensor fusion; inertial vision fusion; intelligent transportation systems AB Intermittent loss of the GPS signal is a common problem encountered in intelligent land navigation based on GPS integrated inertial systems. This issue emphasizes the need for an alternative technology that would ensure smooth and reliable inertial navigation during GPS outages. This paper presents the results of an effort where data from vision and inertial sensors are integrated. However, for such integration one has to first obtain the necessary navigation parameters from the available sensors. Due to the variety in the measurements, separate approaches have to be utilized in estimating the navigation parameters. Information from a sequence of images captured by a monocular camera attached to a survey vehicle at a maximum frequency of three frames per second was used in upgrading the inertial system installed in the same vehicle for its inherent error accumulation. Specifically, the rotations and translations estimated from point correspondences tracked through a sequence of images were used in the integration. Also a prefilter is utilized to smooth out the noise associated with the vision sensor (camera) measurements. Finally, the position locations based on the vision sensor are integrated with the inertial system in a decentralized format using a Kalman filter. The vision/inertial integrated position estimates are successfully compared with those from inertial/GPS system output. This successful comparison demonstrates that vision can be used successfully to supplement the inertial measurements during potential GPS outages. C1 [Sarkar, Sudeep] Univ S Florida, Dept Comp Sci & Engn, Tampa, FL 33620 USA. [Gunaratne, Manjriker] Univ S Florida, Dept Civil & Environm Engn, Tampa, FL 33620 USA. [Randeniya, Duminda I. B.] Oak Ridge Natl Lab, Decis Engn Grp, Oak Ridge, TN 37831 USA. [Gunaratne, Manjriker] NASA, Robert Goddard Space Flight Ctr, Washington, DC USA. [Gunaratne, Manjriker] USAF, Wright Patterson AFB, OH 45433 USA. RP Randeniya, DIB (reprint author), Oak Ridge Natl Lab, Decis Engn Grp, Oak Ridge, TN 37831 USA. RI Sarkar, Sudeep/A-8213-2009 OI Sarkar, Sudeep/0000-0001-7332-4207 NR 19 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-8232-6 J9 IND INNOV SER PY 2009 BP 107 EP 130 PG 24 WC Business; Computer Science, Interdisciplinary Applications; Engineering, Manufacturing; Engineering, Electrical & Electronic; Management SC Business & Economics; Computer Science; Engineering GA BJY05 UT WOS:000267390500008 ER PT J AU Iida, K Chastek, TQ Beers, KL Cavicchi, KA Chun, J Fasolka, MJ AF Iida, Kazunori Chastek, Thomas Q. Beers, Kathryn L. Cavicchi, Kevin A. Chun, Jaehun Fasolka, Michael J. TI Living anionic polymerization using a microfluidic reactor SO LAB ON A CHIP LA English DT Article ID USER ACCEPTANCE; PLANT CONCEPTS; MICROSTRUCTURED REACTORS; RADICAL POLYMERIZATION; ORGANIC-SYNTHESIS; LIGHT-SCATTERING; ANALYSIS SYSTEMS; ION PAIRS; FLOW; TECHNOLOGY AB Living anionic polymerizations were conducted within aluminum-polyimide microfluidic devices. Polymerizations of styrene in cyclohexane were carried out at various conditions, including elevated temperature (60 degrees C) and high monomer concentration (42%, by volume). The reactions were safely maintained at a controlled temperature at all points in the reactor. Conducting these reactions in a batch reactor results in uncontrolled heat generation with potentially dangerous rises in pressure. Moreover, the microfluidic nature of these devices allows for flexible 2D designing of the flow channel. Four flow designs were examined (straight, periodically pinched, obtuse zigzag, and acute zigzag channels). The ability to use the channel pattern to increase the level of mixing throughout the reactor was evaluated. When moderately high molecular mass polymers with increased viscosity were made, the patterned channels produced polymers with narrower PDI, indicating that passive mixing arising from the channel design is improving the reaction conditions. C1 [Iida, Kazunori; Chastek, Thomas Q.; Beers, Kathryn L.; Fasolka, Michael J.] Natl Inst Stand & Technol, Div Polymers, Gaithersburg, MD 20899 USA. [Cavicchi, Kevin A.] Univ Akron, Dept Polymer Engn, Akron, OH 44325 USA. [Chun, Jaehun] Pacific NW Natl Lab, Richland, WA 99353 USA. RP Chastek, TQ (reprint author), Natl Inst Stand & Technol, Div Polymers, 100 Bur Dr MS8542, Gaithersburg, MD 20899 USA. EM thomas.chastek@nist.gov; kathryn.beers@nist.gov FU NIST/National Research Council Postdoctoral Associateship FX The authors thank Dr. Steven Hudson, Dr. Thuy Chastek, and Dr. Eric Amis at NIST for their helpful suggestions and comments. T. Q. C. was supported by a NIST/National Research Council Postdoctoral Associateship. This work was carried out at the NIST Combinatorial Methods center (NCMC; www.nist.gov/combi). Official contribution of NIST; not subject to copyright in the United States. NR 48 TC 30 Z9 33 U1 2 U2 29 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1473-0197 J9 LAB CHIP JI Lab Chip PY 2009 VL 9 IS 2 BP 339 EP 345 DI 10.1039/b810006c PG 7 WC Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Chemistry; Science & Technology - Other Topics GA 397FY UT WOS:000262649500023 PM 19107294 ER PT J AU Perroud, TD Meagher, RJ Kanouff, MP Renzi, RF Wu, MY Singh, AK Patel, KD AF Perroud, Thomas D. Meagher, Robert J. Kanouff, Michael P. Renzi, Ronald F. Wu, Meiye Singh, Anup K. Patel, Kamlesh D. TI Isotropically etched radial micropore for cell concentration, immobilization, and picodroplet generation SO LAB ON A CHIP LA English DT Article ID SINGLE-CELLS; ON-CHIP; SYSTEMS; MICROFLUIDICS; ENCAPSULATION; MICROCHIP; DROPLETS; BACTERIA; CYTOMETER; PROTEINS AB To enable several on-chip cell handling operations in a fused-silica substrate, small shallow micropores are radially embedded in larger deeper microchannels using an adaptation of single-level isotropic wet etching. By varying the distance between features on the photolithographic mask (mask distance), we can precisely control the overlap between two etch fronts and create a zero-thickness semi-elliptical micropore (e.g. 20 mu m wide, 6 mm deep). Geometrical models derived from a hemispherical etch front show that micropore width and depth can be expressed as a function of mask distance and etch depth. These models are experimentally validated at different etch depths (25.03 and 29.78 mu m) and for different configurations (point-to-point and point-to-edge). Good reproducibility confirms the validity of this approach to fabricate micropores with a desired size. To illustrate the wide range of cell handling operations enabled by micropores, we present three on-chip functionalities: continuous-flow particle concentration, immobilization of single cells, and picoliter droplet generation. (1) Using pressure differentials, particles are concentrated by removing the carrier fluid successively through a series of 44 shunts terminated by 31 mu m wide, 5 mu m deep micropores. Theoretical values for the concentration factor determined by a flow circuit model in conjunction with finite volume modeling are experimentally validated. (2) Flowing macrophages are individually trapped in 20 mu m wide, 6 mm deep micropores by hydrodynamic confinement. The translocation of transcription factor NF-kappa B into the nucleus upon lipopolysaccharide stimulation is imaged by fluorescence microscopy. (3) Picoliter-sized droplets are generated at a 20 mu m wide, 7 mm deep micropore T-junction in an oil stream for the encapsulation of individual E. coli bacteria cells. C1 [Perroud, Thomas D.; Meagher, Robert J.; Kanouff, Michael P.; Renzi, Ronald F.; Wu, Meiye; Singh, Anup K.; Patel, Kamlesh D.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Patel, KD (reprint author), Sandia Natl Labs, POB 969, Livermore, CA 94551 USA. EM kdpatel@sandia.gov RI Patel, Kamlesh/A-9728-2009; OI Wu, Meiye/0000-0003-3712-1554 FU Laboratory Directed Research and Development Program; Sandia Corporation; Lockheed Martin Company; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors would like to thank M. McReynolds from Caliper Life Sciences, N. Y.-C. Yang, J. M. Chames, M. R. Claudnic, and D. D. Yee for their assistance. We also appreciate inspiring discussions with N. Srivastava and D. E. Huber. This research was fully supported by the Laboratory Directed Research and Development Program at Sandia National Laboratories. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 42 TC 7 Z9 7 U1 3 U2 19 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1473-0197 J9 LAB CHIP JI Lab Chip PY 2009 VL 9 IS 4 BP 507 EP 515 DI 10.1039/b817285d PG 9 WC Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Chemistry; Science & Technology - Other Topics GA 408WK UT WOS:000263465900002 PM 19190785 ER PT J AU Beer, NR Rose, KA Kennedy, IM AF Beer, Neil Reginald Rose, Klint Aaron Kennedy, Ian M. TI Observed velocity fluctuations in monodisperse droplet generators SO LAB ON A CHIP LA English DT Article ID PICOLITER DROPLETS; FLOW; MICROCHANNELS; TIME; CHIP; PCR AB On-chip monodisperse droplet generation and analysis is ideal for low concentration and single molecule applications because it enables reagents to be partitioned into identical nanoliter or smaller reactor volumes while allowing real-time optical interogation. Typically, these systems operate in a continuous droplet generation mode to maximize sample throughput. We have observed that on-chip droplet production for water-in-oil emulsions causes downstream droplet velocity fluctuations similar to those reported for gas-in-liquid emulsion systems with a periodicity equivalent to the droplet generation rate. This phenomenon can affect the accuracy of data collection due to variation in photon integration times as the moving droplets are observed. Here we perform high speed imaging and frequency domain analysis to describe the periodic velocity fluctuations due to monodisperse droplet generation. C1 [Beer, Neil Reginald; Rose, Klint Aaron] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Kennedy, Ian M.] Univ Calif Davis, Dept Mech & Aeronaut Engn, Davis, CA 95616 USA. RP Beer, NR (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave, Livermore, CA 94551 USA. EM beer2@llnl.gov FU U.S. Department of Energy; LLNL FX The authors wish to acknowledge John Breneman, Bill Benett, and Kelly Spruiell for their assistance. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract the Laboratory Directed Research and Development Program at LLNL. NR 15 TC 10 Z9 10 U1 0 U2 5 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1473-0197 J9 LAB CHIP JI Lab Chip PY 2009 VL 9 IS 6 BP 838 EP 840 DI 10.1039/b818479h PG 3 WC Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Chemistry; Science & Technology - Other Topics GA 414EP UT WOS:000263847000013 PM 19255667 ER PT J AU Beer, NR Rose, KA Kennedy, IM AF Beer, Neil Reginald Rose, Klint Aaron Kennedy, Ian M. TI Monodisperse droplet generation and rapid trapping for single molecule detection and reaction kinetics measurement SO LAB ON A CHIP LA English DT Article ID METAL-ENHANCED FLUORESCENCE; POLYMERASE-CHAIN-REACTION; PICOLITER DROPLETS; ON-CHIP; MICROFLUIDIC SYSTEM; REAL-TIME; NANOCRYSTALS; VOLUME; PCR AB On-chip monodisperse droplet analysis systems are ideal for low concentration and single molecule applications because they partition reagents into identical picoliter or smaller reactor volumes that can be observed in real-time. We present a novel trapping method with droplet stopping times of similar to 38 ms that is applicable to most on-chip droplet generators. The technique greatly extends optical interrogation times without droplet motion or coalescence; and will allow on-chip single molecule detection of nanoparticle emitters with simple optics. The method maintains droplet monodispersity without chemistry-altering surfactants, and has been shown to preserve a stationary droplet stream through repetitive high-temperature thermal cycling with no additional energy input required to maintain droplet position. C1 [Beer, Neil Reginald; Rose, Klint Aaron] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Kennedy, Ian M.] Univ Calif Davis, Dept Mech & Aeronaut Engn, Davis, CA 95616 USA. RP Beer, NR (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave, Livermore, CA 94551 USA. EM beer2@llnl.gov FU US Department of Energy [DE-AC5207NA27344]; LLNL [06-ERD-064] FX The authors wish to acknowledge John Breneman, Bill Benett, and Kelly Spruiell for their assistance. This work performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC5207NA27344. The project 06-ERD-064 was funded by the Laboratory Directed Research and Development Program at LLNL. NR 23 TC 17 Z9 18 U1 1 U2 10 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1473-0197 J9 LAB CHIP JI Lab Chip PY 2009 VL 9 IS 6 BP 841 EP 844 DI 10.1039/b818478j PG 4 WC Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Chemistry; Science & Technology - Other Topics GA 414EP UT WOS:000263847000014 PM 19255668 ER PT J AU Mair, DA Schwei, TR Dinio, TS Svec, F Frechet, JMJ AF Mair, Dieudonne A. Schwei, Thomas R. Dinio, Theresa S. Svec, Frantisek Frechet, Jean M. J. TI Use of photopatterned porous polymer monoliths as passive micromixers to enhance mixing efficiency for on-chip labeling reactions SO LAB ON A CHIP LA English DT Article ID SOLID-PHASE EXTRACTION; ELECTROSPRAY MASS-SPECTROMETRY; MICROFLUIDIC CHIPS; SURFACE MODIFICATION; REVERSED-PHASE; AMINO-ACIDS; A-CHIP; DEVICES; CHROMATOGRAPHY; MICROCHIP AB We introduce a passive micromixer with novel architecture using photopatterned porous polymer monoliths (PPM) and demonstrate an improvement in mixing efficiency by monitoring the fluorescence of an on-chip labeling reaction. UV light was used to photopattern a periodic arrangement of PPM structures directly within the channel of a plastic microfluidic chip. By optimizing the composition of the polymerization solution and irradiation time we demonstrate the ability to photopattern PPM in regularly repeating 100 mm segments at the tee-junction of the disposable device. To evaluate the efficiency of this dual functional mixer-reactor fluorescamine and lysine were introduced in separate channels upstream of the tee-junction and the intensity of laser-induced fluorescence resulting from the fluorogenic labeling reaction was monitored. The fluorescence level after the photopatterned periodic monolith configuration was 22% greater than both an equivalent 1 cm continuous segment of PPM and an open channel. Results indicate that this periodic arrangement of PPM, with regularly spaced open areas between 100 mm plugs of PPM, is directly responsible for enhancing the mixing and overall rate of chemical reaction in the system. In addition to facilitating preparation of a dual functional mixer-reactor, the ability to accurately photopattern PPM is an enabling technology for seamlessly integrating multiple monoliths into a single device. This technology will be particularly important to proteomic applications requiring preconcentration, enzymatic digestion and two-dimensional separations. C1 [Schwei, Thomas R.; Dinio, Theresa S.; Frechet, Jean M. J.] Univ Calif Berkeley, Coll Chem, Berkeley, CA 94720 USA. [Mair, Dieudonne A.] Fluigence LLC, Santa Clara, CA 95054 USA. [Svec, Frantisek; Frechet, Jean M. J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Frechet, JMJ (reprint author), Univ Calif Berkeley, Coll Chem, Berkeley, CA 94720 USA. EM frechet@berkeley.edu OI Frechet, Jean /0000-0001-6419-0163 FU National Institute of Biomedical Imaging and Bioengineering; National Institutes of Health [EB-006133]; U. S. Department of Energy [DE-AC02-05CH11231] FX Support for this research was provided by a grant of the National Institute of Biomedical Imaging and Bioengineering, National Institutes of Health under contract EB-006133. Experimental work at the Molecular Foundry was supported by the Director, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, of the U. S. Department of Energy under Contract No. DE-AC02-05CH11231. The authors also thank the National Center for Electron Microscopy at Lawrence Berkeley National Laboratory for use of the microtome and imaging facilities. NR 46 TC 41 Z9 42 U1 1 U2 36 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1473-0197 J9 LAB CHIP JI Lab Chip PY 2009 VL 9 IS 7 BP 877 EP 883 DI 10.1039/b816521a PG 7 WC Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Chemistry; Science & Technology - Other Topics GA 419YS UT WOS:000264256200004 PM 19294297 ER PT J AU Rios, L Bachand, GD AF Rios, Lynnette Bachand, George D. TI Multiplex transport and detection of cytokines using kinesin-driven molecular shuttles SO LAB ON A CHIP LA English DT Article ID RESOLVED IMMUNOFLUOROMETRIC ASSAY; HAND-OVER-HAND; MOTOR-PROTEIN; BIOMOLECULAR MOTORS; 8-NM STEP; MICROTUBULES; CARGO; IMMUNOASSAY; ATP; HYDROLYZES AB The application of biomolecular active transport systems offers a potential route for downscaling multiple analyte assays for lab-on-a-chip applications. Recently, the capture and transport of a wide range of target analytes including proteins, virus particles, and DNA have been demonstrated using kinesin-driven molecular shuttles. The molecular shuttles consisted of microtubule (MT) filaments that were functionalized with either analyte-selective antibodies or complementary DNA, thus facilitating selective target capture and transport. In the present work, we have applied this microfluidic platform for the simultaneous detection of multiple target protein analytes. Multiplexing of molecular shuttles was achieved by immobilizing biotinylated antibodies against interleukin-2 (IL-2) and tumor necrosis factor-alpha (TNF-alpha) on biotinylated MTs using a streptavidin bridge. Nanocrystal quantum dots of different sizes and spectral emissions were functionalized with IL-2 and TNF-alpha antibodies to facilitate multiplexed detection. In this paper we discuss the results of selectivity and motility in single and multiplexed assays. C1 [Rios, Lynnette; Bachand, George D.] Sandia Natl Labs, Biomol Interfaces & Syst Dept, Albuquerque, NM 87185 USA. RP Bachand, GD (reprint author), Sandia Natl Labs, Biomol Interfaces & Syst Dept, POB 5800,MS 1303, Albuquerque, NM 87185 USA. EM gdbacha@sandia.gov OI Bachand, George/0000-0002-3169-9980 FU Defense Advanced Research Projects Agency; Sandia's Laboratory Directed Research and Development Office; [DE-AC04-94AL85000] FX We thank Dr J. Howard for generously providing the kinesin expression clone. This work was supported by the Defense Advanced Research Projects Agency and Sandia's Laboratory Directed Research and Development Office. 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 38 TC 24 Z9 24 U1 1 U2 15 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1473-0197 EI 1473-0189 J9 LAB CHIP JI Lab Chip PY 2009 VL 9 IS 7 BP 1005 EP 1010 DI 10.1039/b816444d PG 6 WC Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Chemistry; Science & Technology - Other Topics GA 419YS UT WOS:000264256200022 PM 19294315 ER PT J AU Wu, ZG Willing, B Bjerketorp, J Jansson, JK Hjort, K AF Wu, Zhigang Willing, Ben Bjerketorp, Joakim Jansson, Janet K. Hjort, Klas TI Soft inertial microfluidics for high throughput separation of bacteria from human blood cells SO LAB ON A CHIP LA English DT Article ID FLOW; PARTICLES; MICROCHANNELS; FILTRATION; SPHERE; SORTER; CHIPS; SIZE AB We developed a new approach to separate bacteria from human blood cells based on soft inertial force induced migration with flow defined curved and focused sample flow inside a microfluidic device. This approach relies on a combination of an asymmetrical sheath flow and proper channel geometry to generate a soft inertial force on the sample fluid in the curved and focused sample flow segment to deflect larger particles away while the smaller ones are kept on or near the original flow streamline. The curved and focused sample flow and inertial effect were visualized and verified using a fluorescent dye primed in the device. First the particle behaviour was studied in detail using 9.9 and 1.0 mu m particles with a polymer-based prototype. The prototype device is compact with an active size of 3 mm(2). The soft inertial effect and deflection distance were proportional to the fluid Reynolds number (Re) and particle Reynolds number (Re(p)), respectively. We successfully demonstrated separation of bacteria (Escherichia coli) from human red blood cells at high cell concentrations (above 10(8)/mL), using a sample flow rate of up to 18 mL/min. This resulted in at least a 300-fold enrichment of bacteria at a wide range of flow rates with a controlled flow spreading. The separated cells were proven to be viable. Proteins from fractions before and after cell separation were analyzed by gel electrophoresis and staining to verify the removal of red blood cell proteins from the bacterial cell fraction. This novel microfluidic process is robust, reproducible, simple to perform, and has a high throughput compared to other cell sorting systems. Microfluidic systems based on these principles could easily be manufactured for clinical laboratory and biomedical applications. C1 [Wu, Zhigang; Hjort, Klas] Uppsala Univ, Dept Engn Sci, Angstrom Lab, S-75121 Uppsala, Sweden. [Willing, Ben; Bjerketorp, Joakim; Jansson, Janet K.] Swedish Univ Agr Sci, Dept Microbiol, S-75007 Uppsala, Sweden. [Jansson, Janet K.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Dept Ecol, Berkeley, CA 94720 USA. RP Wu, ZG (reprint author), Uppsala Univ, Dept Engn Sci, Angstrom Lab, Box 534, S-75121 Uppsala, Sweden. EM Zhigang.Wu@angstrom.uu.se RI Wu, Zhigang/F-6064-2012; Jansson, Janet/F-9951-2012 OI Wu, Zhigang/0000-0002-3719-406X; FU Swedish Research Council for Environment, Agricultural Sciences and Spatial Planning; US Department of Energy [DE-AC02-05CH11231]; Lawrence Berkeley National Laboratory FX The authors thank Dr. Sara Thorslund for assistance with cell preparations. This work is partly funded by the Swedish Research Council for Environment, Agricultural Sciences and Spatial Planning, through the Uppsala Microbiomics Center (www.microbiomics.se), and partly by the US Department of Energy ( Contract No. DE-AC02-05CH11231) with Lawrence Berkeley National Laboratory. NR 32 TC 112 Z9 115 U1 6 U2 80 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1473-0197 J9 LAB CHIP JI Lab Chip PY 2009 VL 9 IS 9 BP 1193 EP 1199 DI 10.1039/b817611f PG 7 WC Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Chemistry; Science & Technology - Other Topics GA 433RJ UT WOS:000265223200006 PM 19370236 ER PT J AU Bachand, GD Hess, H Ratna, B Satir, P Vogel, V AF Bachand, George D. Hess, Henry Ratna, Banahalli Satir, Peter Vogel, Viola TI "Smart dust'' biosensors powered by biomolecular motors SO LAB ON A CHIP LA English DT Article ID MOLECULAR SHUTTLES; MICROTUBULE MOVEMENTS; NANOSCALE TRANSPORT; PROTEIN; CARGO; PARTICLES; SURFACES; DRIVEN; DNA; NANODEVICES AB The concept of a microfabricated biosensor for environmental and biomedical monitoring applications which is composed of environmentally benign components is presented. With a built-in power source (the biological fuel ATP) and driven by biological motors (kinesin), sensing in the microdevice can be remotely activated and the presence of a target molecule or toxin remotely detected. The multifaceted progress towards the realization of such a device is described. C1 [Hess, Henry] Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. [Bachand, George D.] Sandia Natl Labs, Ctr Integrated Nanotechnol, Albuquerque, NM 87185 USA. [Ratna, Banahalli] USN, Res Lab, Ctr Biomol Sci & Engn, Washington, DC 20375 USA. [Satir, Peter] Albert Einstein Coll Med, Dept Anat & Struct Biol, Bronx, NY 10467 USA. [Vogel, Viola] ETH, Dept Mat, Lab Biol Oriented Mat, CH-8049 Zurich, Switzerland. RP Hess, H (reprint author), Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. EM hhess@mse.ufl.edu RI Hess, Henry/A-5224-2008; Vogel, Viola/O-8025-2015; OI Hess, Henry/0000-0002-5617-606X; Vogel, Viola/0000-0003-2898-7671; Bachand, George/0000-0002-3169-9980 FU U.S. Department of Energy [DE-AC04-94AL85000] FX The research teams led by the authors of this review have collaborated in the investigation and creation of a hybrid smart dust device under the auspices of the DARPA-DSO Biomolecular Motors Program, whose support we gratefully acknowledge. With great appreciation, we would like to thank all collaborators who contributed to this project, including, Ashutosh Agarwal, Marlene Bachand, Amy Blum, Andrew Boal, Christian Brunner, Amanda Carroll-Portillo, Karl-Heinz Ernst, Isaac Finger, Thorsten Fischer, Parag Katira, Gregory Lee, Sheila Luna, Brett Martin, Elizabeth Mobley, Scott Phillips, Sujatha Ramachandran, Susan Rivera, Ajoy Saha, Raviraja Seetharam, Carissa Soto, Kim Sapsford, Robert Tucker, Yuuko Wada, Christian Wahnes, and Di Wu. 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. NR 69 TC 34 Z9 34 U1 1 U2 28 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1473-0197 J9 LAB CHIP JI Lab Chip PY 2009 VL 9 IS 12 BP 1661 EP 1666 DI 10.1039/b821055a PG 6 WC Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Chemistry; Science & Technology - Other Topics GA 453MZ UT WOS:000266616000002 PM 19495446 ER PT J AU Stachowiak, JC Richmond, DL Li, TH Brochard-Wyart, F Fletcher, DA AF Stachowiak, Jeanne C. Richmond, David L. Li, Thomas H. Brochard-Wyart, Francoise Fletcher, Daniel A. TI Inkjet formation of unilamellar lipid vesicles for cell-like encapsulation SO LAB ON A CHIP LA English DT Article ID MICROFLUIDIC DEVICE; ACTIN-FILAMENTS; GIANT LIPOSOMES; VORTEX RINGS; MEMBRANE; RECONSTITUTION; COMPARTMENTS; EMULSION; BIOLOGY; MODEL AB Encapsulation of macromolecules within lipid vesicles has the potential to drive biological discovery and enable development of novel, cell-like therapeutics and sensors. However, rapid and reliable production of large numbers of unilamellar vesicles loaded with unrestricted and precisely-controlled contents requires new technologies that overcome size, uniformity, and throughput limitations of existing approaches. Here we present a high-throughput microfluidic method for vesicle formation and encapsulation using an inkjet printer at rates up to 200 Hz. We show how multiple high-frequency pulses of the inkjet's piezoelectric actuator create a microfluidic jet that deforms a bilayer lipid membrane, controlling formation of individual vesicles. Variations in pulse number, pulse voltage, and solution viscosity are used to control the vesicle size. As a first step toward cell-like reconstitution using this method, we encapsulate the cytoskeletal protein actin and use co-encapsulated microspheres to track its polymerization into a densely entangled cytoskeletal network upon vesicle formation. C1 [Stachowiak, Jeanne C.; Fletcher, Daniel A.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Stachowiak, Jeanne C.] Sandia Natl Labs, Livermore, CA USA. [Richmond, David L.; Fletcher, Daniel A.] Univ Calif Berkeley, Biophys Grad Grp, Berkeley, CA 94720 USA. [Li, Thomas H.] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. [Brochard-Wyart, Francoise] Inst Curie, Lab PCC, Paris, France. RP Fletcher, DA (reprint author), Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. EM fletch@berkeley.edu FU Natural Sciences and Engineering Research Council of Canada; Cell Propulsion Lab; National Institutes of Health Nanomedicine Development Center at UC Berkeley; UCSF; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors are grateful to Malvern Instruments for use of the Gemini rheometer and C. S. Dutcher of the Muller lab for assistance with viscosity measurements. D. L. R. acknowledges fellowship support from the Natural Sciences and Engineering Research Council of Canada. This work was supported by the Cell Propulsion Lab, a National Institutes of Health Nanomedicine Development Center at UC Berkeley and UCSF (to D. A. F.). Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 32 TC 51 Z9 52 U1 4 U2 42 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1473-0197 J9 LAB CHIP JI Lab Chip PY 2009 VL 9 IS 14 BP 2003 EP 2009 DI 10.1039/b904984c PG 7 WC Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Chemistry; Science & Technology - Other Topics GA 465GY UT WOS:000267572000006 PM 19568667 ER PT J AU Douglas, ES Hsiao, SC Onoe, H Bertozzi, CR Francis, MB Mathies, RA AF Douglas, Erik S. Hsiao, Sonny C. Onoe, Hiroaki Bertozzi, Carolyn R. Francis, Matthew B. Mathies, Richard A. TI DNA-barcode directed capture and electrochemical metabolic analysis of single mammalian cells on a microelectrode array SO LAB ON A CHIP LA English DT Article ID IRIDIUM OXIDE; ACIDIFICATION RATE; MICROPHYSIOMETER; TECHNOLOGY; MECHANISM; PH; MICROARRAYS; ACTIVATION; ACIDOSIS; RECEPTOR AB A microdevice is developed for DNA-barcode directed capture of single cells on an array of pH-sensitive microelectrodes for metabolic analysis. Cells are modified with membrane-bound single-stranded DNA, and specific single-cell capture is directed by the complementary strand bound in the sensor area of the iridium oxide pH microelectrodes within a microfluidic channel. This bifunctional microelectrode array is demonstrated for the pH monitoring and differentiation of primary T cells and Jurkat T lymphoma cells. Single Jurkat cells exhibited an extracellular acidification rate of 11 milli-pH min(-1), while primary T cells exhibited only 2 milli-pH min(-1). This system can be used to capture non-adherent cells specifically and to discriminate between visually similar healthy and cancerous cells in a heterogeneous ensemble based on their altered metabolic properties. C1 [Douglas, Erik S.; Mathies, Richard A.] Univ Calif Berkeley, UCSF UC Berkeley Joint Grad Grp Bioengn, Berkeley, CA 94720 USA. [Hsiao, Sonny C.; Onoe, Hiroaki; Bertozzi, Carolyn R.; Francis, Matthew B.; Mathies, Richard A.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Bertozzi, Carolyn R.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Bertozzi, Carolyn R.] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. [Bertozzi, Carolyn R.; Francis, Matthew B.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Mathies, Richard A.] Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Mathies, RA (reprint author), Univ Calif Berkeley, UCSF UC Berkeley Joint Grad Grp Bioengn, Berkeley, CA 94720 USA. EM ramathies@berkeley.edu RI Onoe, Hiroaki/A-3724-2012 FU National Science Foundation Predoctoral Fellowship; U.S. Department of Energy [DE-AC02-05CH11231] FX We thank Heather Elsen, Eric Carlson, and Chris Monson for assistance with iridium oxide preparation, and Nicholas Toriello, Zev Gartner and Wilbur Lam for many helpful discussions. E. S. D. was supported by a National Science Foundation Predoctoral Fellowship. Microfabrication was performed in the UC Berkeley Microlab. This work 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. NR 33 TC 27 Z9 27 U1 2 U2 20 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1473-0197 J9 LAB CHIP JI Lab Chip PY 2009 VL 9 IS 14 BP 2010 EP 2015 DI 10.1039/b821690h PG 6 WC Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Chemistry; Science & Technology - Other Topics GA 465GY UT WOS:000267572000007 PM 19568668 ER PT J AU Kaehr, B Shear, JB AF Kaehr, Bryan Shear, Jason B. TI High-throughput design of microfluidics based on directed bacterial motility SO LAB ON A CHIP LA English DT Article ID MULTIPHOTON LITHOGRAPHY; ESCHERICHIA-COLI; MICROFABRICATION; FABRICATION; HYDROGELS; PHOTOPOLYMERIZATION; CARPETS; SYSTEMS; CELLS; LASER AB Use of motile cells as sensors and actuators in microfabricated devices requires precise design of interfaces between living and non-living components, a process that has relied on slow revision of device architectures as prototypes are sequentially evaluated and re-designed. In this report, we describe a microdesign and fabrication approach capable of iteratively refining three-dimensional bacterial interfaces in periods as short as 10 minutes, and demonstrate its use to drive fluid transport by harnessing flagellar motion. In this approach, multiphoton excitation is used to promote protein photocrosslinking in a direct-write procedure mediated by static and dynamic masking, with the resultant microstructures serving to capture motile bacteria from the surrounding fluidic environment. Reproducible steering and patterning of flagellated E. coli cells drive microfluidic currents capable of guiding micro-objects on predictable trajectories with velocities reaching 150 mu m s(-1) and achieving bulk flow through microchannels. We show that bacteria can be dynamically immobilized at specified positions, an approach that frees such devices from limitations imposed by the functional lifetime of cells. These results provide a foundation for the development of sophisticated microfluidic devices powered by cells. C1 Univ Texas Austin, Dept Chem & Biochem, Austin, TX 78712 USA. Univ Texas Austin, Inst Cellular & Mol Biol, Austin, TX 78712 USA. RP Kaehr, B (reprint author), Sandia Natl Labs, Adv Mat Lab, 1001 Univ Blvd SE,Ste 100, Albuquerque, NM 87108 USA. EM jshear@mail.utexas.edu FU Texas Advanced Research Program [003658-0273-2007]; National Science Foundation [0317032]; Robert A. Welch Foundation [F-1331] FX We wish to thank Andy Ellington, Ed Marcotte, Zack B. Simpson, and Matthew Levy for useful discussions. Support from the Texas Advanced Research Program (003658-0273-2007), the National Science Foundation (0317032) and the Robert A. Welch Foundation (F-1331) is gratefully acknowledged. We thank J. Parkinson and his research group, who kindly supplied E. coli strains RP437 and RP9535. JBS is a Fellow in the Institute for Cellular and Molecular Biology. NR 36 TC 35 Z9 36 U1 2 U2 31 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1473-0197 J9 LAB CHIP JI Lab Chip PY 2009 VL 9 IS 18 BP 2632 EP 2637 DI 10.1039/b908119d PG 6 WC Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Chemistry; Science & Technology - Other Topics GA 487QJ UT WOS:000269289600003 PM 19704977 ER PT J AU Sommer, GJ Singh, AK Hatch, AV AF Sommer, Greg J. Singh, Anup K. Hatch, Anson V. TI Enrichment and fractionation of proteins via microscale pore limit electrophoresis SO LAB ON A CHIP LA English DT Article ID POLYACRYLAMIDE-GEL-ELECTROPHORESIS; MOLECULAR SIEVE GRADIENT; CROSSLINKING AB In this work we photopolymerized precise and well-controlled polyacrylamide porosity gradients in microchannels for microscale pore limit electrophoresis (mu PLE) of proteins. Porosity was controlled via distributions of acrylamide monomer and bisacrylamide crosslinker. mu PLE provides high-resolution fractionation of complex samples based on the spatial dependence of each species' electrophoretic pore limit - the porosity at which a protein's electrophoretic mobility is negligible due to its molecular size. Proteins ranging in molecular weight from 21.5 kDa-144 kDa were separated under native buffering conditions along 5-mm- and 7-mm-long mu PLE gels spanning 10%T, 2.6%C-40%T, 12%C. The pore gradient gel is useful for estimating size-exclusion thresholds for a broad range of polymer concentrations and protein sizes simultaneously. We show that mPLE can be used to concentrate dilute samples by exploiting the stacking phenomenon associated with an analyte's decreasing electrophoretic mobility. Concentration factors > 40,000 were demonstrated with dilute (100 pM) samples. A detailed theoretical analysis of mu PLE transport behavior based on Ferguson assumptions provides scaling and design parameters with which to tailor gels based on fractionation or enrichment needs. Experimental results show that the Ferguson assumptions break down as proteins migrate beyond an effective pore limit, prompting the need for further investigation into this non-Ferguson regime. C1 [Sommer, Greg J.; Singh, Anup K.; Hatch, Anson V.] Sandia Natl Labs, Biosyst Res & Dev Dept, Livermore, CA 94551 USA. RP Hatch, AV (reprint author), Sandia Natl Labs, Biosyst Res & Dev Dept, POB 969,MS 9292, Livermore, CA 94551 USA. EM ahatch@sandia.gov FU U.S. Department of Homeland Security Fellowship Program; United States Department of Energy [DE-AC0494AL85000] FX The authors would like to thank Y.-C. Wang and J.S. Schoeniger for helpful discussions and input. This work was partially completed while under the support of the U.S. Department of Homeland Security Fellowship Program. Sandia is a multiprogram laboratory operated by Sandia Corp., a Lockheed Martin Co., for the United States Department of Energy under Contract DE-AC0494AL85000. NR 25 TC 7 Z9 7 U1 1 U2 6 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1473-0197 J9 LAB CHIP JI Lab Chip PY 2009 VL 9 IS 18 BP 2729 EP 2737 DI 10.1039/b901320b PG 9 WC Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Chemistry; Science & Technology - Other Topics GA 487QJ UT WOS:000269289600016 PM 19704990 ER PT J AU Huber, DE Markel, ML Pennathur, S Patel, KD AF Huber, David E. Markel, Marci L. Pennathur, Sumita Patel, Kamlesh D. TI Oligonucleotide hybridization and free-solution electrokinetic separation in a nanofluidic device SO LAB ON A CHIP LA English DT Article ID SINGLE-NUCLEOTIDE POLYMORPHISMS; DNA HYBRIDIZATION; MOLECULAR BEACONS; MICROFLUIDIC DEVICE; MICROARRAYS; PROBES; ASSAYS; ELECTROPHORESIS; NANOCHANNELS; TRANSPORT AB There is significant interest in developing on-chip DNA hybridization assays to leverage the advantages of lab-on-a-chip systems, which include smaller sample and reagent volumes, faster processing speeds, and greater opportunities for large-scale integration. While much research has explored ways to integrate DNA microarrays on-chip, little work has been done to incorporate hybridization with existing microscale separation platforms. We present the first separation of single-stranded and double-stranded oligonucleotides in a nanofluidic device. We couple this separation with free-solution hybridization to develop a simple, electrokinetic technique that detects DNA hybridization without sample labeling. The technique is used both to detect target DNA sequences and to quantitatively measure hybridization kinetics. To demonstrate the method, we measured the second order reaction coefficient of complementary 20-mer oligonucleotides as a function of sodium ion concentration, which ranged from 0.0048 mol(-1).sec(-1) at 5 mM sodium to 0.42 mol(-1).sec(-1) at 50 mM. We also distinguished between a pair of complementary oligonucleotides and a pair with a single nucleotide mismatch, observing a two-fold difference in hybridization rate. Additionally, we observed a relative change in the mobility of single-stranded and double-stranded DNA with increasing sodium concentration, suggesting that our device may provide a useful platform for studying biomolecule transport in nanochannels. C1 [Huber, David E.] Stanford Univ, Stanford Genome Technol Ctr, Palo Alto, CA 94305 USA. [Markel, Marci L.; Patel, Kamlesh D.] Sandia Natl Labs, Livermore, CA 94551 USA. [Pennathur, Sumita] Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. RP Huber, DE (reprint author), Stanford Univ, Stanford Genome Technol Ctr, 855 Calif Ave, Palo Alto, CA 94305 USA. EM david.huber@stanfordalumni.org; kdpatel@sandia.gov RI Patel, Kamlesh/A-9728-2009; Pennathur, Sumita/M-2771-2015 OI Pennathur, Sumita/0000-0003-2227-4005 FU United States Department of Energy's National Nuclear Security Administration [DE-AC04-94Al85000] FX Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94Al85000. Support for this work was made possible thought the Laboratory Directed Research and Development program. The authors thank Dr. Michael Bartsch for his insightful discussions. We also acknowledge Dave Heredia, MSL facilities coordinator, and former Sandians Susan Jamison and William Kleist for their advice, instruction, and assistance in importing the nanochannel fabrication process to Sandia. NR 42 TC 16 Z9 16 U1 1 U2 11 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1473-0197 J9 LAB CHIP JI Lab Chip PY 2009 VL 9 IS 20 BP 2933 EP 2940 DI 10.1039/b901739a PG 8 WC Biochemical Research Methods; Chemistry, Multidisciplinary; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Chemistry; Science & Technology - Other Topics GA 500GB UT WOS:000270285600010 PM 19789746 ER PT J AU Geyer, FC de Biase, D Weigelt, B Lambros, MBK Mackay, A Fenwick, K Tamber, N Ashworth, A Reis-Filho, JS AF Geyer, F. C. de Biase, D. Weigelt, B. Lambros, M. B. K. Mackay, A. Fenwick, K. Tamber, N. Ashworth, A. Reis-Filho, J. S. TI Microarray CGH Analysis Reveals Genetic Heterogeneity between Distinct Components of Metaplastic Breast Carcinomas SO LABORATORY INVESTIGATION LA English DT Meeting Abstract CT 98th Annual Meeting of the United-States-and-Canadian-Academy-of-Pathology CY MAR 07-13, 2009 CL Boston, MA SP US & Canadian Acad Pathol C1 ICR, London, England. Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 0023-6837 J9 LAB INVEST JI Lab. Invest. PD JAN PY 2009 VL 89 MA 175 BP 41A EP 41A PG 1 WC Medicine, Research & Experimental; Pathology SC Research & Experimental Medicine; Pathology GA 394XK UT WOS:000262486300176 ER PT J AU McCarthy, A Lord, CJ Savage, K Grigoriadis, A Smith, DP Weigelt, B Reis-Filho, JS Ashworth, A AF McCarthy, A. Lord, C. J. Savage, K. Grigoriadis, A. Smith, D. P. Weigelt, B. Reis-Filho, J. S. Ashworth, A. TI Conditional Deletion of the LKB1 Gene in the Mouse Mammary Gland Induces Tumour Formation SO LABORATORY INVESTIGATION LA English DT Meeting Abstract CT 98th Annual Meeting of the United-States-and-Canadian-Academy-of-Pathology CY MAR 07-13, 2009 CL Boston, MA SP US & Canadian Acad Pathol C1 ICR, London, England. Ludwig Inst Canc Res, London W1P 8BT, England. Ludwig Inst Canc Res, Melbourne, Vic 3050, Australia. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 0023-6837 J9 LAB INVEST JI Lab. Invest. PD JAN PY 2009 VL 89 MA 244 BP 56A EP 57A PG 2 WC Medicine, Research & Experimental; Pathology SC Research & Experimental Medicine; Pathology GA 394XK UT WOS:000262486300245 ER PT J AU Weigelt, B Kreike, B Reis-Filho, JS AF Weigelt, B. Kreike, B. Reis-Filho, J. S. TI Metaplastic Breast Carcinomas Are Basal-Like Breast Cancers: A Genomic Profiling Analysis SO LABORATORY INVESTIGATION LA English DT Meeting Abstract CT 98th Annual Meeting of the United-States-and-Canadian-Academy-of-Pathology CY MAR 07-13, 2009 CL Boston, MA SP US & Canadian Acad Pathol C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Netherlands Canc Inst, Amsterdam, Netherlands. ICR, London, England. NR 0 TC 0 Z9 0 U1 0 U2 1 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 0023-6837 J9 LAB INVEST JI Lab. Invest. PD JAN PY 2009 VL 89 MA 322 BP 74A EP 74A PG 1 WC Medicine, Research & Experimental; Pathology SC Research & Experimental Medicine; Pathology GA 394XK UT WOS:000262486300323 ER PT B AU Rosen, MD AF Rosen, Mordecai (Mordy) D. BE Jaroszynski, DA Bingham, R Cairns, RA TI Fundamentals of ICF Hohlraums SO LASER-PLASMA INTERACTIONS SE Scottish Graduate Series LA English DT Proceedings Paper CT 60th Scottish-University Summer School in Physics CY 2005 CL St Andrews, SCOTLAND ID HIGH-TEMPERATURES; RADIATION; FUSION; NOVA; PHYSICS; GOLD C1 Lawrence Livermore Natl Lab, Livermore, CA USA. RP Rosen, MD (reprint author), Lawrence Livermore Natl Lab, Livermore, CA USA. NR 15 TC 3 Z9 3 U1 1 U2 2 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-58488-778-2 J9 SCOT GRAD SER PY 2009 BP 325 EP 352 PG 28 WC Optics; Physics, Fluids & Plasmas SC Optics; Physics GA BJJ54 UT WOS:000266435100014 ER PT B AU Swift, DC AF Swift, Damian C. BE Jaroszynski, DA Bingham, R Cairns, RA TI Fusion Targets SO LASER-PLASMA INTERACTIONS SE Scottish Graduate Series LA English DT Proceedings Paper CT 60th Scottish-University Summer School in Physics CY 2005 CL St Andrews, SCOTLAND ID EXCHANGE C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Swift, DC (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NR 27 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-58488-778-2 J9 SCOT GRAD SER PY 2009 BP 377 EP 407 PG 31 WC Optics; Physics, Fluids & Plasmas SC Optics; Physics GA BJJ54 UT WOS:000266435100017 ER PT S AU Hehlen, MP AF Hehlen, Markus P. BE Epstein, RI SheikBahae, M TI Novel materials for laser refrigeration SO LASER REFRIGERATION OF SOLIDS II SE Proceedings of SPIE-The International Society for Optical Engineering LA English DT Proceedings Paper CT Conference on Laser Refrigeration of Solids II CY JAN 28-29, 2009 CL San Jose, CA SP SPIE DE Optical refrigeration; laser cooling; multiphonon relaxation; binary fluoride glasses; YF(3)-LiF; ZBLAN; halide crystals; KPb(2)Cl(5); ytterbium; dysprosium; infrared sensors ID RARE-EARTH IONS; OPTICAL REFRIGERATION; GLASSES; CRYSTALS; KPB2CL5; BAY2F8; STATES AB The status of optical refrigeration of rare-earth-doped solids is reviewed, and the various factors that limit the performance of current laser-cooling materials are discussed. Efficient optical refrigeration is possible in materials for which (h) over bar omega(max) < E(p)/8, where <(h)over bar>omega(max) is the maximum phonon energy of the host material and E(p) is the pump energy for the rare-earth dopant. Transition-metal and OH(-) impurities at levels > 100 ppb are believed to be the main reason for the limited laser-cooling performance in current materials. The many components of doped ZBLAN glass pose particular processing challenges. Binary fluoride glasses such as YF(3)-LiF are considered as alternatives to ZBLAN, and the crystalline system KPb(2)Cl(5) :Dy(3+) is identified as a prime candidate for high-efficiency laser cooling. C1 Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Hehlen, MP (reprint author), Los Alamos Natl Lab, Div Chem, Mailstop J565, Los Alamos, NM 87545 USA. EM hehlen@lanl.gov NR 28 TC 4 Z9 4 U1 1 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7474-2 J9 P SOC PHOTO-OPT INS PY 2009 VL 7228 AR 72280E DI 10.1117/12.809091 PG 8 WC Optics; Physics, Applied SC Optics; Physics GA BSR46 UT WOS:000285542200006 ER PT S AU Watts, MR Shaw, MJ Rakich, PT Lentine, AL Nielson, GN Wright, J Zortman, WA McCormick, FB AF Watts, Michael R. Shaw, Michael J. Rakich, Peter T. Lentine, Anthony L. Nielson, Gregory N. Wright, Jeremy Zortman, William A. McCormick, Frederick B. BE Kudryashov, AV Paxton, AH Ilchenko, VS Aschke, L TI Microphotonic Thermal Detectors and Imagers SO LASER RESONATORS AND BEAM CONTROL XI SE Proceedings of SPIE-The International Society for Optical Engineering LA English DT Proceedings Paper CT Conference on Laser Resonators and Beam Control XI CY JAN 26-27, 2009 CL San Jose, CA SP SPIE DE Waveguide; integrated optics devices; resonators; infrared imaging AB We present the theory of operation along with detailed device designs and initial experimental results of a new class of uncooled thermal detectors. The detectors, termed microphotonic thermal detectors, are based on the thermo-optic effect in high quality factor (Q) micrometer-scale optical resonators. Microphotonic thermal detectors do not suffer from Johnson noise, do not require metallic connections to the sensing element, do not suffer from charge trapping effects, and have responsivities orders of magnitude larger than microbolometer-based thermal detectors. For these reasons, microphotonic thermal detectors have the potential to reach thermal phonon noise limited performance. C1 [Watts, Michael R.; Shaw, Michael J.; Rakich, Peter T.; Lentine, Anthony L.; Nielson, Gregory N.; Wright, Jeremy; Zortman, William A.; McCormick, Frederick B.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Watts, MR (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM mwatts@sandia.gov RI Wright, Jeremy/G-7149-2011 OI Wright, Jeremy/0000-0001-6861-930X NR 7 TC 0 Z9 0 U1 0 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7440-7 J9 P SOC PHOTO-OPT INS PY 2009 VL 7194 AR 71940T DI 10.1117/12.821117 PG 8 WC Optics SC Optics GA BSP34 UT WOS:000285287100018 ER PT B AU Barat, K AF Barat, Ken BE Barat, K TI Laser Safety Where Are We? SO LASER SAFETY: TOOLS AND TRAINING SE Optical Science and Engineering-CRC LA English DT Article; Book Chapter C1 [Barat, Ken] Lawrence Berkeley Natl Lab, Dept Energy Natl Lab 1, Berkeley, CA USA. [Barat, Ken] Lawrence Livermore Natl Lab, Natl Ignit Facil Directorate, Livermore, CA USA. RP Barat, K (reprint author), Lawrence Berkeley Natl Lab, Dept Energy Natl Lab 1, Berkeley, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-6854-2 J9 OPT SCI ENG-CRC PY 2009 VL 141 BP 1 EP 9 PG 9 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BJU14 UT WOS:000267162000001 ER PT B AU Barat, K AF Barat, Ken BE Barat, K TI Who Is Responsible for Laser Safety? SO LASER SAFETY: TOOLS AND TRAINING SE Optical Science and Engineering-CRC LA English DT Article; Book Chapter C1 [Barat, Ken] Lawrence Berkeley Natl Lab, Dept Energy Natl Lab 1, Berkeley, CA USA. [Barat, Ken] Lawrence Livermore Natl Lab, Natl Ignit Facil Directorate, Livermore, CA USA. RP Barat, K (reprint author), Lawrence Berkeley Natl Lab, Dept Energy Natl Lab 1, Berkeley, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-6854-2 J9 OPT SCI ENG-CRC PY 2009 VL 141 BP 11 EP 25 PG 15 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BJU14 UT WOS:000267162000002 ER PT B AU Barat, K AF Barat, Ken BE Barat, K TI How to Do a Complete Laser Hazard Evaluation SO LASER SAFETY: TOOLS AND TRAINING SE Optical Science and Engineering-CRC LA English DT Article; Book Chapter C1 [Barat, Ken] Lawrence Berkeley Natl Lab, Dept Energy Natl Lab 1, Berkeley, CA USA. [Barat, Ken] Lawrence Livermore Natl Lab, Natl Ignit Facil Directorate, Livermore, CA USA. RP Barat, K (reprint author), Lawrence Berkeley Natl Lab, Dept Energy Natl Lab 1, Berkeley, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-6854-2 J9 OPT SCI ENG-CRC PY 2009 VL 141 BP 27 EP 30 PG 4 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BJU14 UT WOS:000267162000003 ER PT B AU Barat, K AF Barat, Ken BE Barat, K TI Documentation of Laser Safety SO LASER SAFETY: TOOLS AND TRAINING SE Optical Science and Engineering-CRC LA English DT Article; Book Chapter C1 [Barat, Ken] Lawrence Berkeley Natl Lab, Dept Energy Natl Lab 1, Berkeley, CA USA. [Barat, Ken] Lawrence Livermore Natl Lab, Natl Ignit Facil Directorate, Livermore, CA USA. RP Barat, K (reprint author), Lawrence Berkeley Natl Lab, Dept Energy Natl Lab 1, Berkeley, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-6854-2 J9 OPT SCI ENG-CRC PY 2009 VL 141 BP 31 EP 68 PG 38 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BJU14 UT WOS:000267162000004 ER PT B AU Barat, K AF Barat, Ken BE Barat, K TI What Are They Talking About? SO LASER SAFETY: TOOLS AND TRAINING SE Optical Science and Engineering-CRC LA English DT Article; Book Chapter C1 [Barat, Ken] Lawrence Berkeley Natl Lab, Dept Energy Natl Lab 1, Berkeley, CA USA. [Barat, Ken] Lawrence Livermore Natl Lab, Natl Ignit Facil Directorate, Livermore, CA USA. RP Barat, K (reprint author), Lawrence Berkeley Natl Lab, Dept Energy Natl Lab 1, Berkeley, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-6854-2 J9 OPT SCI ENG-CRC PY 2009 VL 141 BP 69 EP 73 PG 5 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BJU14 UT WOS:000267162000005 ER PT B AU Britten, JA AF Britten, Jerald A. BE Barat, K TI Diffraction Gratings for High-Intensity Laser Applications SO LASER SAFETY: TOOLS AND TRAINING SE Optical Science and Engineering-CRC LA English DT Article; Book Chapter ID MULTILAYER DIELECTRIC GRATINGS; DAMAGE THRESHOLD; PETAWATT LASER; FUSED-SILICA; DESIGN; PULSES; COMPRESSION; SYSTEM C1 Lawrence Livermore Natl Lab, Natl Ignit Facil & Photon Sci Program, Livermore, CA USA. RP Britten, JA (reprint author), Lawrence Livermore Natl Lab, Natl Ignit Facil & Photon Sci Program, Livermore, CA USA. NR 35 TC 1 Z9 1 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-6854-2 J9 OPT SCI ENG-CRC PY 2009 VL 141 BP 99 EP + PG 22 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BJU14 UT WOS:000267162000007 ER PT B AU Vaughn, M AF Vaughn, Matt BE Barat, K TI Training Design and Considerations in the Use of Instructor-Led, Web-Based Training of Adults SO LASER SAFETY: TOOLS AND TRAINING SE Optical Science and Engineering-CRC LA English DT Article; Book Chapter C1 [Vaughn, Matt] Lawrence Livermore Natl Lab, Livermore, CA USA. NR 3 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-6854-2 J9 OPT SCI ENG-CRC PY 2009 VL 141 BP 121 EP 128 PG 8 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BJU14 UT WOS:000267162000009 ER PT B AU Barat, K AF Barat, Ken BE Barat, K TI Near-Miss Incidents SO LASER SAFETY: TOOLS AND TRAINING SE Optical Science and Engineering-CRC LA English DT Article; Book Chapter C1 [Barat, Ken] Lawrence Berkeley Natl Lab, Dept Energy Natl Lab 1, Berkeley, CA USA. [Barat, Ken] Lawrence Livermore Natl Lab, Natl Ignit Facil Directorate, Livermore, CA USA. RP Barat, K (reprint author), Lawrence Berkeley Natl Lab, Dept Energy Natl Lab 1, Berkeley, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-6854-2 J9 OPT SCI ENG-CRC PY 2009 VL 141 BP 167 EP 179 PG 13 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BJU14 UT WOS:000267162000012 ER PT B AU Barat, K AF Barat, Ken BE Barat, K TI Accident Investigation SO LASER SAFETY: TOOLS AND TRAINING SE Optical Science and Engineering-CRC LA English DT Article; Book Chapter C1 [Barat, Ken] Lawrence Berkeley Natl Lab, Dept Energy Natl Lab 1, Berkeley, CA USA. [Barat, Ken] Lawrence Livermore Natl Lab, Natl Ignit Facil Directorate, Livermore, CA USA. RP Barat, K (reprint author), Lawrence Berkeley Natl Lab, Dept Energy Natl Lab 1, Berkeley, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-6854-2 J9 OPT SCI ENG-CRC PY 2009 VL 141 BP 181 EP 186 PG 6 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BJU14 UT WOS:000267162000013 ER PT B AU Barat, K AF Barat, Ken BE Barat, K TI Laser Accidents Do Happen SO LASER SAFETY: TOOLS AND TRAINING SE Optical Science and Engineering-CRC LA English DT Article; Book Chapter C1 [Barat, Ken] Lawrence Berkeley Natl Lab, Dept Energy Natl Lab 1, Berkeley, CA USA. [Barat, Ken] Lawrence Livermore Natl Lab, Natl Ignit Facil Directorate, Livermore, CA USA. RP Barat, K (reprint author), Lawrence Berkeley Natl Lab, Dept Energy Natl Lab 1, Berkeley, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-6854-2 J9 OPT SCI ENG-CRC PY 2009 VL 141 BP 187 EP 204 PG 18 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BJU14 UT WOS:000267162000014 ER PT B AU Barat, K AF Barat, Ken BE Barat, K TI Laser Eyewear SO LASER SAFETY: TOOLS AND TRAINING SE Optical Science and Engineering-CRC LA English DT Article; Book Chapter C1 [Barat, Ken] Lawrence Berkeley Natl Lab, Dept Energy Natl Lab 1, Berkeley, CA USA. [Barat, Ken] Lawrence Livermore Natl Lab, Natl Ignit Facil Directorate, Livermore, CA USA. RP Barat, K (reprint author), Lawrence Berkeley Natl Lab, Dept Energy Natl Lab 1, Berkeley, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-6854-2 J9 OPT SCI ENG-CRC PY 2009 VL 141 BP 225 EP 235 PG 11 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BJU14 UT WOS:000267162000016 ER PT B AU Barat, K AF Barat, Ken BE Barat, K TI Amazing Laser Projects SO LASER SAFETY: TOOLS AND TRAINING SE Optical Science and Engineering-CRC LA English DT Article; Book Chapter ID ELECTRON-BEAMS; ACCELERATOR C1 [Barat, Ken] Lawrence Berkeley Natl Lab, Dept Energy Natl Lab 1, Berkeley, CA USA. [Barat, Ken] Lawrence Livermore Natl Lab, Natl Ignit Facil Directorate, Livermore, CA USA. RP Barat, K (reprint author), Lawrence Berkeley Natl Lab, Dept Energy Natl Lab 1, Berkeley, CA USA. NR 6 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-6854-2 J9 OPT SCI ENG-CRC PY 2009 VL 141 BP 319 EP 338 PG 20 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BJU14 UT WOS:000267162000022 ER PT B AU Barat, K AF Barat, Ken BE Barat, K TI Practical Ideas SO LASER SAFETY: TOOLS AND TRAINING SE Optical Science and Engineering-CRC LA English DT Article; Book Chapter C1 [Barat, Ken] Lawrence Berkeley Natl Lab, Dept Energy Natl Lab 1, Berkeley, CA USA. [Barat, Ken] Lawrence Livermore Natl Lab, Natl Ignit Facil Directorate, Livermore, CA USA. RP Barat, K (reprint author), Lawrence Berkeley Natl Lab, Dept Energy Natl Lab 1, Berkeley, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-6854-2 J9 OPT SCI ENG-CRC PY 2009 VL 141 BP 339 EP + PG 17 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BJU14 UT WOS:000267162000023 ER PT B AU Barat, K AF Barat, Ken BE Barat, K TI ANSI Safe Use of Lasers and Laser Safety SO LASER SAFETY: TOOLS AND TRAINING SE Optical Science and Engineering-CRC LA English DT Article; Book Chapter C1 [Barat, Ken] Lawrence Berkeley Natl Lab, Dept Energy Natl Lab 1, Berkeley, CA USA. [Barat, Ken] Lawrence Livermore Natl Lab, Natl Ignit Facil Directorate, Livermore, CA USA. RP Barat, K (reprint author), Lawrence Berkeley Natl Lab, Dept Energy Natl Lab 1, Berkeley, CA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-6854-2 J9 OPT SCI ENG-CRC PY 2009 VL 141 BP 355 EP 356 PG 2 WC Engineering, Electrical & Electronic; Optics SC Engineering; Optics GA BJU14 UT WOS:000267162000024 ER PT J AU Whitney, J Sarkar, S Zhang, JF Shu, CY Dorn, H Rylander, C Campbell, T Geohegan, D Rylander, MN AF Whitney, Jon Sarkar, Saugata Zhang, Jianfei Shu, Chunying Dorn, Harry Rylander, Chris Campbell, Tom Geohegan, David Rylander, Marissa Nichole TI CARBON NANOHORNS AS PHOTOTHERMAL AND PHOTOCHEMICAL LASER CANCER THERAPEUTIC AGENTS SO LASERS IN SURGERY AND MEDICINE LA English DT Meeting Abstract CT 29th Annual Conference of the American-Society-for-Laser-Medicine and Surgery CY APR 01-05, 2009 CL National Harbor, MD SP Amer Soc Laser Med & Surg C1 Virginia Tech, Blacksburg, VA USA. Oak Ridge Natl Lab, Blacksburg, VA USA. RI Rylander, Marissa Nichole/F-2455-2014; Geohegan, David/D-3599-2013 OI Geohegan, David/0000-0003-0273-3139 NR 0 TC 1 Z9 1 U1 0 U2 2 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0196-8092 J9 LASER SURG MED JI Lasers Surg. Med. PY 2009 BP 3 EP 3 PG 1 WC Dermatology; Surgery SC Dermatology; Surgery GA 464RV UT WOS:000267524700008 ER PT J AU Beer, K Narurkar, V Cohen, J AF Beer, Kenneth Narurkar, Vic Cohen, Joel TI EFFICACY AND SAFETY OF A PRE AND POST TOPICAL FIVE-PRODUCT SYSTEM (CLINIQUE MEDICAL OPTIMIZING REGIMEN) SPECIFICALLY FORMULATED TO COMPLEMENT LASER/LIGHT-BASED FACIAL COSMETIC PROCEDURES SO LASERS IN SURGERY AND MEDICINE LA English DT Meeting Abstract CT 29th Annual Conference of the American-Society-for-Laser-Medicine and Surgery CY APR 01-05, 2009 CL National Harbor, MD SP Amer Soc Laser Med & Surg C1 Univ Miami, Miller Sch Med, Miami, FL 33136 USA. Univ Calif Davis, Davis, CA 95616 USA. Lawrence Livermore Natl Lab, Sch Med, Sacramento, CA 95816 USA. AboutSkin Dermatol & DermSurg, Englewood, CO USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0196-8092 J9 LASER SURG MED JI Lasers Surg. Med. PY 2009 BP 100 EP 101 PG 2 WC Dermatology; Surgery SC Dermatology; Surgery GA 464RV UT WOS:000267524700295 ER PT S AU Chevalier, C Safro, I AF Chevalier, Cedric Safro, Ilya BE Stutzle, T TI Comparison of Coarsening Schemes for Multilevel Graph Partitioning SO LEARNING AND INTELLIGENT OPTIMIZATION SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 3rd Conference on Learning and Intelligent Optimization CY JAN 14-18, 2009 CL Trento, ITALY ID ALGORITHM; BISECTION AB Graph partitioning is a well-known optimization problem of great interest in theoretical and applied studies. Since the 1990s, many multilevel schemes have been introduced as a practical tool to solve this problem. A multilevel algorithm may be viewed as a. process of graph topology learning at different scales in order to generate a better approximation for any approximation method incorporated at the uncoarsening stage in the framework. In this work we compare two multilevel frameworks based on the geometric and the algebraic multigrid schemes for the partitioning problem. C1 [Chevalier, Cedric] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Safro, Ilya] Argonne Natl Lab, Argonne, IL USA. RP Chevalier, C (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM ccheval@sandia.gov; safro@mcs.anl.gov RI Safro, Ilya/D-9383-2012 FU U.S.Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; Office of Advanced Scientific Computing Research, Office of Science, U.S. Department of Energy [DE-AC02-06CH11357] FX Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin company, for the U.S.Department of Energys National Nuclear Security Administration under contract DE-AC04-94AL85000.This work was supported by the Office of Advanced Scientific Computing Research, Office of Science, U.S. Department of Energy, under Contract DE-AC02-06CH11357. NR 32 TC 11 Z9 12 U1 0 U2 2 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-11168-6 J9 LECT NOTES COMPUT SC PY 2009 VL 5851 BP 191 EP + DI 10.1007/978-3-642-11169-3_14 PG 3 WC Computer Science, Artificial Intelligence; Computer Science, Theory & Methods SC Computer Science GA BPG32 UT WOS:000278806000014 ER PT S AU Bochev, PB Gunzburger, MD AF Bochev, Pavel B. Gunzburger, Max D. BA Bochev, PB Gunzburger, MD BF Bochev, PB Gunzburger, MD TI Classical Variational Methods SO LEAST-SQUARES FINITE ELEMENT METHODS SE Applied Mathematical Sciences-Series LA English DT Article; Book Chapter ID FINITE-ELEMENT-METHOD; NAVIER-STOKES EQUATIONS; LEAST-SQUARES METHODS; PARTIAL-DIFFERENTIAL-EQUATIONS; DOMAIN DECOMPOSITION METHOD; COMPUTATIONAL FLUID-DYNAMICS; 1ST-ORDER ELLIPTIC-SYSTEMS; 3-DIMENSIONAL EDGE SINGULARITIES; CONVECTION-DOMINATED PROBLEMS; COMPRESSIBLE EULER EQUATIONS C1 [Bochev, Pavel B.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Gunzburger, Max D.] Florida State Univ, Dept Comp Sci, Tallahassee, FL 32306 USA. RP Bochev, PB (reprint author), Sandia Natl Labs, MS 1320,POB 5800, Albuquerque, NM 87185 USA. EM pbboche@sandia.gov; gunzburg@fsu.edu NR 0 TC 118 Z9 118 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 0066-5452 BN 978-0-387-30888-3 J9 APPL MATH SCI PY 2009 VL 166 BP 3 EP + DI 10.1007/b13382_1 D2 10.1007/978-3-540-88051-6 PG 47 WC Mathematics, Applied SC Mathematics GA BJQ41 UT WOS:000266988300001 ER PT S AU Barnes, JE Peter, W Blue, CA AF Barnes, John E. Peter, William Blue, Craig A. BE Dargusch, MS Keay, SM TI Evaluation of Low Cost Titanium Alloy Products SO LIGHT METALS TECHNOLOGY 2009 SE Materials Science Forum LA English DT Proceedings Paper CT 4th International Light Metals Technology Conference (LMT 2009) CY JUN 29-JUL 01, 2009 CL Gold Coast, AUSTRALIA SP Australian Partnership Light Met, CSIRO Light Met Flagship, CAST CRC, Australian Res Council Ctr Excellence Design Light Met DE titanium; Armstrong process; solid state AB Titanium has extremely attractive properties for air vehicles ranging from excellent corrosion resistance to good compatibility with graphite reinforced composites and very good damage tolerance characteristics. At current Buy to Fly ratios, the F-35 Program will consume as much as seven million pounds of titanium a year at rate production. This figure is nearly double that of the F-22 Program. which has a much higher titanium content. Lockheed Martin has initiated "Project Black Ti" to reduce the cost of titanium parts by reducing the titanium consumption but not the quantity of titanium parts. Ultimately, we want to reduce the inherent waste in the current processing of titanium alloy products. The Kroll process, by which most titanium product is made today, is nearly 60 years old. Kroll himself predicted the process would be replaced within 15 years due to inherent inefficiencies - in 1950. Titanium is also mis-characterized as a precious metal, which it is not. It is the ninth most abundant element on the earth's surface. Aluminum by comparison is the third most abundant but has a much more efficient method to convert it to a usable form. Until the turn of the 20th century, aluminum was considered to be as precious as platinum until the Bayer Process brought prices down from $1200/kg to $0.60/kg. Regarding titanium, one way to improve efficiency and buy less material to make the same parts is via Powder Metallurgy (PM). Until recently, titanium alloy powder was very expensive. However, new methods of producing titanium alloy have been developed which generate powder as an output versus massive ingots, which require multiple melts to achieve homogeneity. With powder, in theory, we should be able to get much closer to net shape and reduce the initial buy and reduce significant machining costs. These low cost titanium powders are becoming commercially available, which has the potential to initiate a paradigm shift in the applications of titanium. PM technologies and the consolidation of these new powders are now economically viable with the potential cost of the new powders running approximately an order of magnitude less than conventional PM grade powders. This paper will present the current status of "Project Black Ti" and its potential impact to the F-35 program. C1 [Barnes, John E.] Lockheed Martin Adv Dev Programs, 86 S Cobb Dr, Marietta, GA 30063 USA. [Peter, William; Blue, Craig A.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Barnes, JE (reprint author), Lockheed Martin Adv Dev Programs, 86 S Cobb Dr, Marietta, GA 30063 USA. EM john.e.barnes@lmco.com NR 0 TC 18 Z9 19 U1 1 U2 6 PU TRANS TECH PUBLICATIONS LTD PI DURNTEN-ZURICH PA KREUZSTRASSE 10, 8635 DURNTEN-ZURICH, SWITZERLAND SN 0255-5476 J9 MATER SCI FORUM PY 2009 VL 618-619 BP 165 EP + PG 2 WC Metallurgy & Metallurgical Engineering SC Metallurgy & Metallurgical Engineering GA BKV03 UT WOS:000269310200031 ER PT S AU Paxton, DM Carpenter, JA Sklad, PS Smith, MT AF Paxton, Dean M. Carpenter, Joseph A., Jr. Sklad, Philip S. Smith, Mark T. BE Dargusch, MS Keay, SM TI Overview of Lightweighting Materials Research & Development in the United States Freedomcar and Fuel Partnership SO LIGHT METALS TECHNOLOGY 2009 SE Materials Science Forum LA English DT Proceedings Paper CT 4th International Light Metals Technology Conference (LMT 2009) CY JUN 29-JUL 01, 2009 CL Gold Coast, AUSTRALIA SP Australian Partnership Light Met, CSIRO Light Met Flagship, CAST CRC, Australian Res Council Ctr Excellence Design Light Met DE lightweight metals; FreedomCar & Fuels Partnership; automotive applications; Department of Energy AB The United States of America's (USA's) transportation system is strongly dependent on petroleum as an energy source. Petroleum is used to satisfy 95 percent of the USA's transportation energy needs, consuming two-thirds of all the petroleum used in the USA. Since roughly 60 percent of the petroleum is imported, the implications of this dependency on energy security are readily apparent. Since 2002, the United States Department of Energy (USDOE) and the United States Council for Automotive Research (USCAR) have worked cooperatively through the FreedomCAR and Fuel Partnership (FC&FP) to fund high-risk, high-payoff research and development (R&D) into advanced automotive technologies with the potential for lowering this dependence. The FC&FP succeeded and built upon the Partnership for a New Generation of Vehicles (PNGV) initiative that ran from 1993 to 2001. The long-term transition of vehicles from gasoline to non-petroleum energy sources is viewed as critical in lowering the dependence of the USA economy on foreign oil, and in reducing the environmental impact of the personal transportation sector. The FC&FP supports research on technologies with the potential for energy-efficiency and renewable energy benefits, such as new engine concepts, lightweight materials, alternate non-petroleum based fuels, and hybrid propulsion components. This paper will highlight the research in the lightweight metals portion of the FC&FP. Cooperative R&D projects will be discussed which focus on processing and manufacturing technologies such as casting of magnesium (Mg) and aluminium (AI) alloy components, advanced forming techniques for Al sheet, and warm-forming of Mg sheet. The overall objective of these efforts is not only to demonstrate new technologies, but to reduce the cost of manufacturing lightweight materials and enable implementation of the technologies in high-volume automotive applications. C1 [Paxton, Dean M.; Smith, Mark T.] Pacific Northwest Natl Lab, POB 999, Richland, WA 99352 USA. [Carpenter, Joseph A., Jr.] US DOE, Washington, DC 20585 USA. [Sklad, Philip S.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Paxton, DM (reprint author), Pacific Northwest Natl Lab, POB 999, Richland, WA 99352 USA. EM dean.paxton@ee.doe.gov NR 11 TC 0 Z9 0 U1 1 U2 9 PU TRANS TECH PUBLICATIONS LTD PI DURNTEN-ZURICH PA KREUZSTRASSE 10, 8635 DURNTEN-ZURICH, SWITZERLAND SN 0255-5476 J9 MATER SCI FORUM PY 2009 VL 618-619 BP 395 EP + PG 3 WC Metallurgy & Metallurgical Engineering SC Metallurgy & Metallurgical Engineering GA BKV03 UT WOS:000269310200076 ER PT B AU Davis, AB Polonsky, IN Marshak, A AF Davis, Anthony B. Polonsky, Igor N. Marshak, Alexander BE Kokhanovsky, AA TI Space-time Green functions for diffusive radiation transport, in application to active and passive cloud probing SO LIGHT SCATTERING REVIEWS 4: SINGLE LIGHT SCATTERING AND RADIOACTIVE TRANSFER SE Springer-Praxis Books in Environmental Sciences LA English DT Article; Book Chapter ID OXYGEN-A-BAND; MULTIPLE-SCATTERING LIDAR; REFLECTED SOLAR-RADIATION; CORRELATED RANDOM MEDIUM; BOUNDARY-LAYER CLOUDS; MOLECULAR LINE ABSORPTION; INDEPENDENT PIXEL APPROXIMATION; DENSITY-FUNCTION DERIVATION; NONSTATIONARY LIGHT FIELD; EFFECTIVE PARTICLE RADIUS C1 [Davis, Anthony B.] Los Alamos Natl Lab, Space & Remote Sensing Grp, Los Alamos, NM 87545 USA. [Polonsky, Igor N.] Colorado State Univ, Dept Atmospher Sci, Ft Collins, CO 80523 USA. [Marshak, Alexander] NASA, Goddard Space Flight Ctr, Climate & Radiat Branch, Greenbelt, MD 20771 USA. RP Davis, AB (reprint author), CALTECH, Jet Prop Lab, 4800 Oak Grove Dr, Pasadena, CA 91109 USA. EM Anthony.B.Davis@jpl.nasa.gov; polonsky@atmos.colostate.edu; Alexander.Marshak@nasa.gov NR 272 TC 3 Z9 3 U1 2 U2 3 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY BN 978-3-540-74275-3 J9 S-P B ENVIRON SCI PY 2009 BP 169 EP 292 DI 10.1007/978-3-540-74276-0_5 D2 10.1007/978-3-540-74276-0 PG 124 WC Environmental Sciences; Optics SC Environmental Sciences & Ecology; Optics GA BKI98 UT WOS:000268241600005 ER PT J AU Hill, WR Fanta, SE Roberts, BJ AF Hill, Walter R. Fanta, Shari E. Roberts, Brian J. TI Quantifying phosphorus and light effects in stream algae SO LIMNOLOGY AND OCEANOGRAPHY LA English DT Article ID OXYGEN CHANGE TECHNIQUE; MARINE-PHYTOPLANKTON; NUTRIENT LIMITATION; DESERT STREAM; BENTHIC ALGAE; UNITED-STATES; FRESH-WATER; PERIPHYTON; GROWTH; ECOSYSTEM AB Simultaneous gradients of phosphorus and light were applied in experimental streams to develop quantitative relationships between these two important abiotic variables and the growth and composition of benthic microalgae. Algal biovolume and whole-stream metabolism responded hyperbolically to phosphorus enrichment, increasing approximately two-fold over the 5-300 mu g L-1 range of experimental phosphorus concentrations. The saturation threshold for phosphorus effects occurred at 25 mg L-1 of soluble reactive phosphorus (SRP). Light effects were much stronger than those of phosphorus, resulting in a nearly ten-fold increase in algal biovolume over the 10-400 mu mol photons m(-2) s(-1) range of experimental irradiances. Biovolume accrual was light-saturated at 100 mmol photons m(-2) s(-1) (5 mol photons m(-2) d(-1)). Light effects were diminished by low phosphorus concentrations, and phosphorus effects were diminished by low irradiances, but evidence of simultaneous limitation by both phosphorus and light at subsaturating irradiances was weak. Contrary to the light : nutrient hypothesis, algal phosphorus content was not significantly affected by light, even in the lowest SRP treatments. However, algal nitrogen content increased substantially at lower irradiances, and it was very highly correlated with algal chlorophyll a content. Phosphorus enrichment in streams is likely to have its largest effect at concentrations < 25 mu g L-1 SRP, but the effect of enrichment is probably minimized when streambed irradiances are kept below 2 mol photons m(-2) d(-1) by riparian shading or turbidity. C1 [Hill, Walter R.; Fanta, Shari E.] Univ Illinois, Inst Nat Resource Sustainabil, Champaign, IL 61820 USA. [Roberts, Brian J.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Hill, WR (reprint author), Univ Illinois, Inst Nat Resource Sustainabil, 1816 S Oak St, Champaign, IL 61820 USA. EM wrhill@uiuc.edu FU Illinois Council for Food and Agricultural Research; Oak Ridge Associated Universities FX This work utilized the laboratory stream facility in the Environmental Sciences Division at Oak Ridge National Laboratory (ORNL). We thank Gary Jacobs, Jim Loar, Scott Gregory, and Steve Cline of ORNL for enabling our use of lab streams. We also thank Diana Flanagan and Hanna Snyder for assisting in the laboratory. The manuscript was improved by the comments of two anonymous reviewers. ORNL is managed by UT- Battelle under contract DE-AC05-000R22725 with the U. S. Department of Energy. Funding for this research was provided by a Strategic Research Initiative Water Quality grant from the Illinois Council for Food and Agricultural Research. Brian Roberts was supported by a postdoctoral fellowship through the ORNL Postdoctoral Research Associates Program administered by Oak Ridge Associated Universities. NR 56 TC 45 Z9 47 U1 7 U2 40 PU AMER SOC LIMNOLOGY OCEANOGRAPHY PI WACO PA 5400 BOSQUE BLVD, STE 680, WACO, TX 76710-4446 USA SN 0024-3590 EI 1939-5590 J9 LIMNOL OCEANOGR JI Limnol. Oceanogr. PD JAN PY 2009 VL 54 IS 1 BP 368 EP 380 DI 10.4319/lo.2009.54.1.0368 PG 13 WC Limnology; Oceanography SC Marine & Freshwater Biology; Oceanography GA 432XX UT WOS:000265168800029 ER PT J AU Diaz, J Ingall, E Vogt, S de Jonge, MD Paterson, D Rau, C Brandes, JA AF Diaz, Julia Ingall, Ellery Vogt, Stefan de Jonge, Martin D. Paterson, David Rau, Christoph Brandes, Jay A. TI Characterization of phosphorus, calcium, iron, and other elements in organisms at sub-micron resolution using X-ray fluorescence spectromicroscopy SO LIMNOLOGY AND OCEANOGRAPHY-METHODS LA English DT Article ID MARINE-SEDIMENTS OVERLAIN; INORGANIC POLYPHOSPHATE; XANES SPECTROSCOPY; RADIATION-DAMAGE; REGENERATION; EXTRACTION; MICROSCOPY; STORAGE; BURIAL; GROWTH AB X-ray spectromicroscopy (combined X-ray spectroscopy and microscopy) is uniquely capable of determining sub-micron scale elemental content and chemical speciation in minimally-prepared particulate samples. The high spatial resolutions achievable with this technique have enabled the close examination of important micro-scale processes relevant to the cycling of biogeochemically important elements. Here, we demonstrate the value of X-ray microscopy to environmental and biological research by examining the phosphorus and metal chemistry of complete individual cells from the algal genera Chlamydomonas sp. and Chlorella sp. X-ray analysis revealed that both genera store substantial intracellular phosphorus as distinct, heterogeneously distributed granules whose X-ray fluorescence spectra are consistent with that of polyphosphate. Polyphosphate inclusions ranged in size from 0.3-1.4 mu m in diameter and exhibited a nonspecies-specific average phosphorus concentration of 6.87 +/- 1.86 mu g cm(-2), which was significantly higher than the average concentration of phosphorus measured in the total cell, at 3.14 +/- 0.98 mu g cm(-2) (95% confidence). Polyphosphate was consistently associated with calcium and iron, exhibiting average P:cation molar ratios of 8.31 +/- 2.00 and 108 +/- 34, respectively (95% confidence). In some cells, polyphosphate was also associated with potassium, zinc, manganese, and titanium. Based on our results, X-ray spectromicroscopy can provide high-resolution elemental data on minimally prepared, unsectioned cells that are unattainable through alternative microscopic methods and conventional bulk chemical techniques currently available in many fields of marine chemistry. C1 [Diaz, Julia; Ingall, Ellery] Georgia Inst Technol, Sch Earth & Atmospher Sci, Atlanta, GA 30332 USA. [Vogt, Stefan; de Jonge, Martin D.; Paterson, David; Rau, Christoph] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. [Brandes, Jay A.] Skidaway Inst Oceanog, Savannah, GA 31411 USA. RP Ingall, E (reprint author), Georgia Inst Technol, Sch Earth & Atmospher Sci, Atlanta, GA 30332 USA. EM ingall@eas.gatech.edu RI Ingall, Ellery/A-5447-2008; de Jonge, Martin/C-3400-2011; Vogt, Stefan/B-9547-2009; Vogt, Stefan/J-7937-2013 OI Ingall, Ellery/0000-0003-1954-0317; Vogt, Stefan/0000-0002-8034-5513; Vogt, Stefan/0000-0002-8034-5513 FU National Science Foundation [0526178]; US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was funded by the National Science Foundation under Grant No. 0526178. Use of the Advanced Photon Source was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. The authors thank Dr. Marshall Darley of the University of Georgia, Department of Plant Biology, for providing the specimens examined in this study. Thanks also go to Ian McNulty at the Advanced Photon Source for technical assistance. NR 39 TC 9 Z9 9 U1 1 U2 15 PU AMER SOC LIMNOLOGY OCEANOGRAPHY PI WACO PA 5400 BOSQUE BLVD, STE 680, WACO, TX 76710-4446 USA SN 1541-5856 J9 LIMNOL OCEANOGR-METH JI Limnol. Oceanogr. Meth. PD JAN PY 2009 VL 7 BP 42 EP 51 PG 10 WC Limnology; Oceanography SC Marine & Freshwater Biology; Oceanography GA 432YM UT WOS:000265170300005 ER PT S AU Awai, K Lechno-Yossef, S Wolk, CP AF Awai, Koichiro Lechno-Yossef, Sigal Wolk, C. Peter BE Wada, H Murata, N TI Heterocyst Envelope Glycolipids SO LIPIDS IN PHOTOSYNTHESIS: ESSENTIAL AND REGULATORY FUNCTIONS SE Advances in Photosynthesis and Respiration LA English DT Article; Book Chapter ID SP STRAIN PCC-7120; BLUE-GREEN-ALGAE; FATTY-ACID SYNTHASE; NITROGEN-FIXING CYANOBACTERIA; ACYL CARRIER PROTEIN; ANABAENA SP PCC-7120; PCC 7120; FORMING CYANOBACTERIUM; BINDING PROTEIN; PHOSPHOPANTETHEINYL TRANSFERASE AB Heterocyst-forming cyanobacteria simultaneously photosynthesize, producing oxygen (O(2)), and fix dinitrogen (N(2)), initially into ammonia, using nitrogenase enzymes that are rapidly inactivated by O(2). These cyanobacteria enable nitrogenases to function in an oxic environment by segregating them within specialized cells, called heterocysts, in which O(2) is not produced, respiration is highly active, and an envelope barrier of glycolipids greatly slows the rate of entry of O(2) We will describe the chemical structure of the heterocyst-specific glycolipids (Hgls), their physiological role, and what is known of their deposition. We will then discuss the clustered genes that encode the proteins required for their biosynthesis, how the glycolipids are believed to be synthesized, and what is known of the regulation of their biosynthesis. Finally, we will examine the relationship between their biosynthetic enzymes and other polyketide synthases, with an emphasis on those from cyanobacteria. C1 [Lechno-Yossef, Sigal; Wolk, C. Peter] Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA. [Wolk, C. Peter] Michigan State Univ, Dept Plant Biol, E Lansing, MI 48824 USA. [Lechno-Yossef, Sigal] Univ Wisconsin, Great Lakes Bioenergy Res Ctr, Madison, WI 53715 USA. [Awai, Koichiro] Shizuoka Univ, Div Global Res Leaders, Suruga Ku, Shizuoka 4228529, Japan. RP Wolk, CP (reprint author), Michigan State Univ, MSU DOE Plant Res Lab, E Lansing, MI 48824 USA. EM wolk@msu.edu NR 126 TC 9 Z9 9 U1 0 U2 2 PU SPRINGER PI DORDRECHT PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS SN 1572-0233 BN 978-90-481-2862-4 J9 ADV PHOTOSYNTH RESP JI Adv. Photo. Respirat. PY 2009 VL 30 BP 179 EP 202 PG 24 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA BMI27 UT WOS:000272432900011 ER PT S AU Kern, J Zouni, A Guskov, A Krauss, N AF Kern, Jan Zouni, Athina Guskov, Albert Krauss, Norbert BE Wada, H Murata, N TI Lipids in the Structure of Photosystem I, Photosystem II and the Cytochrome b(6)f Complex SO LIPIDS IN PHOTOSYNTHESIS: ESSENTIAL AND REGULATORY FUNCTIONS SE Advances in Photosynthesis and Respiration LA English DT Article; Book Chapter ID PHOTOSYNTHETIC REACTION-CENTER; LIGHT-HARVESTING COMPLEX; BACTERIAL REACTION-CENTER; CRYSTAL-STRUCTURE; ANGSTROM RESOLUTION; BC(1) COMPLEX; ATP SYNTHASE; OXYGENIC PHOTOSYNTHESIS; RHODOBACTER-SPHAEROIDES; REACTION CENTERS AB This chapter describes the data accumulated in the last decade regarding the specific function of lipids in oxygenic photosynthesis, based on crystal structures of at least 3.0 angstrom resolution of the main photosynthetic membrane protein-pigment complexes, photosystem I, photosystem II and cytochrome b(6)f Comparisons with other structures of membrane protein complexes like the bacterial reaction center and the external antenna system from the plant light harvesting complexes H reveal the functional versatility of integral lipids. A detailed structural description of the membrane protein complexes pinpoints the various interactions of integral lipids between protein and pigments (e.g., chlorophylls, carotenoids, quinones) and gives a deep insight into their functional roles. A particular focus in this chapter is on the lipid-filled plastoquinone exchange cavities in photosystem II and cytochrome b(6)f. The differences in extent and lipophilic character of these cavities will be discussed in the light of the resulting plastoquinone/plastoquinol exchange mechanism. An exceptional feature of PS II is the water splitting reaction enabled by the Mn(4)Ca cluster. This results in the release of protons to the lumenal aqueous phase, release of electrons to a chain of acceptors, which provides metabolically available reduction equivalents, and release of dioxygen to the atmosphere. The high content of lipids in the interior of photosystem II will be correlated with possible diffusion pathways of the dioxygen and the turnover of the D1 protein, necessary to counteract the photodamage occurring within photosystem. II. More structural details of integral lipids derived from higher resolution data from these remarkable membrane protein complexes in combination with data from mutant and/or spectroscopic studies will lead to extended functional insights in the future. C1 [Kern, Jan; Zouni, Athina] Tech Univ Berlin, Inst Chem, Max Volmer Lab Biophys Chem, D-10623 Berlin, Germany. [Guskov, Albert] Free Univ Berlin, Inst Chem & Biochem Kristallog, D-14195 Berlin, Germany. [Krauss, Norbert] Univ London, Sch Biol & Chem Sci, London E1 4NS, England. RP Kern, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM jfkern@lbl.gov RI Kern, Jan/G-2586-2013; OI Kern, Jan/0000-0002-7272-1603; Guskov, Albert/0000-0003-2340-2216 NR 125 TC 11 Z9 12 U1 0 U2 6 PU SPRINGER PI DORDRECHT PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS SN 1572-0233 BN 978-90-481-2862-4 J9 ADV PHOTOSYNTH RESP JI Adv. Photo. Respirat. PY 2009 VL 30 BP 203 EP + PG 49 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA BMI27 UT WOS:000272432900012 ER PT B AU Hossain, A Bolotnikov, A Camarda, G Cui, Y Yang, G James, RB AF Hossain, A. Bolotnikov, A. Camarda, G. Cui, Y. Yang, G. James, R. B. GP IEEE TI Characterization of CZT Materials for X-ray and Gamma-ray Detectors SO LISAT: 2009 IEEE LONG ISLAND SYSTEMS, APPLICATIONS AND TECHNOLOGY CONFERENCES LA English DT Proceedings Paper CT IEEE Long Island Systems, Applications and Technology Conferences CY MAY 01, 2009 CL Farmingdale, NY SP IEEE C1 [Hossain, A.; Bolotnikov, A.; Camarda, G.; Cui, Y.; Yang, G.; James, R. B.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Hossain, A (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. NR 0 TC 0 Z9 0 U1 1 U2 4 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4244-2347-7 PY 2009 BP 2 EP 2 PG 1 WC Computer Science, Information Systems; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BMR25 UT WOS:000273387800002 ER PT B AU Choi, K Shroff, K Katramatos, D Yu, D Robertazzi, TG AF Choi, K. Shroff, K. Katramatos, D. Yu, D. Robertazzi, T. G. GP IEEE TI Resource Scheduling Heuristics for Data Intensive Networks SO LISAT: 2009 IEEE LONG ISLAND SYSTEMS, APPLICATIONS AND TECHNOLOGY CONFERENCES LA English DT Proceedings Paper CT IEEE Long Island Systems, Applications and Technology Conferences CY MAY 01, 2009 CL Farmingdale, NY SP IEEE DE MPLS; File Transfer; Virtual Path; Capacity Reservation AB In this work, we consider the adaptive capacity utilization problem for real-time heterogeneous data intensive MPLS (Multiprotocol Label Switching) networks consisting of multiple source and destination nodes. We account for a rile transfer scenario taking into account node capacity, file size, file transfer start time, and the deadline of riles when determining the explicit capacity of Virtual Paths (VPs) across the backbone. We propose two heuristic algorithms referred to as the Most Conservative (MC) algorithm and the Load Balancing (LB) algorithm using a newly introduced parameter, capacity utilization. These heuristic algorithms are designed to react to rile transfers according to the temporal capacity of VPs for multiple source and destination networks. C1 [Choi, K.; Robertazzi, T. G.] SUNY Stony Brook, Dept Elect Commun Engn, Stony Brook, NY 11794 USA. [Shroff, K.; Katramatos, D.; Yu, D.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Choi, K (reprint author), SUNY Stony Brook, Dept Elect Commun Engn, Stony Brook, NY 11794 USA. EM kchoi@ece.sunysb.edu; shroffk@bnl.gov; dkat@bnl.gov; dtyu@bnl.gov; tom@ece.sunysb.edu NR 5 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4244-2347-7 PY 2009 BP 19 EP + PG 2 WC Computer Science, Information Systems; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BMR25 UT WOS:000273387800008 ER PT B AU Cui, Y Bolotnikov, A Camarda, G Hossain, A Yang, G James, RB AF Cui, Y. Bolotnikov, A. Camarda, G. Hossain, A. Yang, G. James, R. B. GP IEEE TI CZT Virtual Frisch-grid Detector: Principles and Applications SO LISAT: 2009 IEEE LONG ISLAND SYSTEMS, APPLICATIONS AND TECHNOLOGY CONFERENCES LA English DT Proceedings Paper CT IEEE Long Island Systems, Applications and Technology Conferences CY MAY 01, 2009 CL Farmingdale, NY SP IEEE DE Cadmium Zinc Telluride (CdZnTe or CZT); gamma-ray detection; spectrometer ID SEMICONDUCTOR RADIATION DETECTOR; CDZNTE DETECTORS AB Cadmium Zinc Telluride (CdZnTe or CZT) is a very attractive material for using as room-temperature semiconductor detectors, because it has a wide bandgap and a high atomic number. However, due to the material's poor hole mobility, several special techniques were developed to ensure its suitability for radiation detection. Among them, the virtual Frisch-grid CZT detector is an attractive option, having a simple configuration, yet delivering an outstanding spectral performance. The goal of our group in Brookhaven National Laboratory (BNL) is to improve the performance of Frisch-ring CZT detectors; most recently, that effort focused on the non-contacting Frisch-ring detector, allowing us to build an inexpensive, large-volume detector array with high energy-resolution and a large effective area. In this paper, the principles of virtual Frisch-grid detectors are described, especially BNL's innovative improvements. The potential applications of virtual Frisch-grid detectors are discussed, and as an example, a hand-held gamma-ray spectrometer using a CZT virtual Frisch-grid detector array is introduced, which is a self-contained device with a radiation detector, readout circuit, communication circuit, and high-voltage supply. It has good energy resolution of 1.4% (FWHM of 662-keV peak) with a total detection volume of similar to 20 cm(3). Such a portable inexpensive device can be used widely in nonproliferation applications, non-destructive detection, radiation imaging, and for homeland security. Extended systems based on the same technology have potential applications in industrial- and nuclear-medical-imaging. C1 [Cui, Y.; Bolotnikov, A.; Camarda, G.; Hossain, A.; Yang, G.; James, R. B.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Cui, Y (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM ycui@bnl.gov RI Yang, Ge/G-1354-2011 NR 14 TC 0 Z9 0 U1 1 U2 5 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4244-2347-7 PY 2009 BP 25 EP 29 PG 5 WC Computer Science, Information Systems; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BMR25 UT WOS:000273387800009 ER PT S AU Jethava, N Ullom, JN Bennett, DA Irwin, KD Horansky, RD Beall, JA Hilton, GC Vale, LR Hoover, A Bacrania, MK Rabin, MW AF Jethava, N. Ullom, J. N. Bennett, D. A. Irwin, K. D. Horansky, R. D. Beall, J. A. Hilton, G. C. Vale, L. R. Hoover, A. Bacrania, M. K. Rabin, M. W. BE Cabrera, B Miller, A Young, B TI Characterization of Thermal Cross-talk in a gamma-ray Microcalorimeter Array SO LOW TEMPERATURE DETECTORS LTD 13 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Workshop on Low Temperature Detectors CY JUL 20-24, 2009 CL Stanford, CA SP Stanford Univ, Phys Dept, Hansen Expt Phys Lab, Kavli Inst Particle Astrophys & Cosmol, US DOE, SLAC Natl Accelerator Ctr, Natl Sci Fdn, NASA, Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, Calif Inst Technol, Jet Propuls Lab, Lockheed Martin Corp, Apple DE Superconducting Transition Edge Sensor (TES); microcalorimeter; gamma-ray; cross-talk AB We present experimental data describing cross-talk within an array of gamma-ray microcalorimeters during gamma-ray irradiation. The microcalorimeters consist of Mo/Cu transition-edge sensors (TESs) with attached Sn absorbers. We observe both thermal and electrical cross-talk with peak cross-talk amplitudes as large as 0.4%. We have developed an analytical model for thermal cross-talk and make a preliminary comparison to data. Cross-talk must be understood and minimized for high resolution spectroscopy at high input count rates. C1 [Jethava, N.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Ullom, J. N.; Bennett, D. A.; Irwin, K. D.; Horansky, R. D.; Beall, J. A.; Hilton, G. C.; Vale, L. R.] NIST, Boulder, CO 80305 USA. [Hoover, A.; Bacrania, M. K.; Rabin, M. W.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Jethava, N (reprint author), NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. RI Bennett, Douglas/B-8001-2012 OI Bennett, Douglas/0000-0003-3011-3690 FU U.S. Department of Energy through the Office of Nonproliferation Research and Development FX We gratefully acknowledge the support of the U.S. Department of Energy through the Office of Nonproliferation Research and Development. NR 4 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0751-0 J9 AIP CONF PROC PY 2009 VL 1185 BP 34 EP + DI 10.1063/1.3292349 PG 2 WC Physics, Applied SC Physics GA BQR05 UT WOS:000281588500006 ER PT S AU Porter, FS Fujimoto, R Kelley, RL Kilbourne, CA Mitsuda, K Ohashi, T AF Porter, F. Scott Fujimoto, Ryuichi Kelley, Richard L. Kilbourne, Caroline A. Mitsuda, Kazuhiasa Ohashi, Takaya CA Astro H SXS Collaboration BE Cabrera, B Miller, A Young, B TI The Astro-H Soft X-ray Spectrometer (SXS) SO LOW TEMPERATURE DETECTORS LTD 13 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Workshop on Low Temperature Detectors CY JUL 20-24, 2009 CL Stanford, CA SP Stanford Univ, Phys Dept, Hansen Expt Phys Lab, Kavli Inst Particle Astrophys & Cosmol, US DOE, SLAC Natl Accelerator Ctr, Natl Sci Fdn, NASA, Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, Calif Inst Technol, Jet Propuls Lab, Lockheed Martin Corp, Apple DE X-ray detector; Calorimeter; X-ray Spectroscopy ID CALORIMETERS AB The Soft-X-ray Spectrometer (SXS) is a high spectral resolution, cryogenic x-ray spectrometer that will fly on the Japan/U.S. Astro-H observatory in 2014. The SXS is composed of a 36 pixel, imaging, x-ray calorimeter array that will operate at 0.05 K utilizing a 2-stage adiabatic demagnetization refrigerator and a redundant pre-cooler design using both a 40 liter liquid helium tank and a 1.7 K Joule-Thomson (JT) cryocooler. Additional redundant Stirling cycle coolers provide pre-cooling for the (JT) and cool the outer thermal shields for the JT and the helium tank. The detector system, while similar to that flown on Suzaku, is composed of larger 0.81x0.81 mm pixels, but has significantly better performance, currently predicted to be better than 4 eV FWHM at 6 keV with 95% quantum efficiency. This instrument is the result of a close collaboration between many institutions in the U.S. and Japan over the last 25 years. Here we will present an overview of the SXS instrument, the SXS cooling system, and recent laboratory improvements to the detector system. C1 [Porter, F. Scott; Kelley, Richard L.; Kilbourne, Caroline A.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Fujimoto, Ryuichi] Kanazawa Univ, Kanazawa, Ishikawa 9201192, Japan. [Mitsuda, Kazuhiasa] Japan Aerosp Explorat Agcy, Inst Space & Astronaut Sci, Sagamihara, Kanagawa 2298510, Japan. Univ Wisconsin, Madison, WI 53706 USA. [Ohashi, Takaya] Tokyo Metropolitan Univ, Tokyo 1920397, Japan. Japan Aerosp Explorat Agcy, Aerosp Res & Dev Directorate, Tsukuba, Ibaraki 3058505, Japan. Yale Univ, New Haven, CT 06520 USA. Univ Tsukuba, Tsukuba, Ibaraki 3058573, Japan. Saitama Univ, Saitama 3388570, Japan. RIKEN, Wako, Saitama 3510198, Japan. Rikkyo Univ, Tokyo 1718501, Japan. SRON, NL-3584 CA Utrecht, Netherlands. [Astro H SXS Collaboration] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Porter, FS (reprint author), NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. RI Porter, Frederick/D-3501-2012; Kelley, Richard/K-4474-2012 OI Porter, Frederick/0000-0002-6374-1119; NR 12 TC 4 Z9 4 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0751-0 J9 AIP CONF PROC PY 2009 VL 1185 BP 91 EP + PG 2 WC Physics, Applied SC Physics GA BQR05 UT WOS:000281588500019 ER PT S AU Crites, AT Bleem, LE Carlstrom, JE Chang, CL Datesman, A Divan, R Everett, W McMahon, J Mehl, J Meyer, SS Novosad, V Pearson, J Ruhl, J Sayre, J Wang, G Yefremenko, V AF Crites, A. T. Bleem, L. E. Carlstrom, J. E. Chang, C. L. Datesman, A. Divan, R. Everett, W. McMahon, J. Mehl, J. Meyer, S. S. Novosad, V. Pearson, J. Ruhl, J. Sayre, J. Wang, G. Yefremenko, V. BE Cabrera, B Miller, A Young, B TI Optical Properties of Argonne/KICP TES Bolometers for CMB Polarimetry SO LOW TEMPERATURE DETECTORS LTD 13 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Workshop on Low Temperature Detectors CY JUL 20-24, 2009 CL Stanford, CA SP Stanford Univ, Phys Dept, Hansen Expt Phys Lab, Kavli Inst Particle Astrophys & Cosmol, US DOE, SLAC Natl Accelerator Ctr, Natl Sci Fdn, NASA, Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, Calif Inst Technol, Jet Propuls Lab, Lockheed Martin Corp, Apple DE TES bolometers; CMB polarimetry AB We present optical data on prototype polarization sensitive Argonne/KICP detectors fabricated at Argonne National Labs which are designed to be installed on the South Pole Telescope and used to measure the polarization of the Cosmic Microwave Background radiation. The detectors are Mo/Au transition edge sensors (TES) suspended on silicon nitride, with radiation coupled to the TES using a gold bar absorber. Two stacked detectors with bars in orthogonal directions will be used to measure both polarizations. We discuss measurements of the optical bandpass, time constants and cross-polarization of the detectors. C1 [Crites, A. T.; Bleem, L. E.; Carlstrom, J. E.; Chang, C. L.; Everett, W.; McMahon, J.; Mehl, J.; Meyer, S. S.] Univ Chicago, Kavli Inst Cosmol Phys, 5640 S Ellis Ave, Chicago, IL 60637 USA. [Datesman, A.; Novosad, V.; Pearson, J.; Wang, G.; Yefremenko, V.] Argonne Natl Lab, MSD, Argonne, IL 60439 USA. [Divan, R.] Argonne Natl Lab, CMN, Argonne, IL 60439 USA. [Ruhl, J.; Sayre, J.] Case Western Reserve Univ, Dept Phys, Cleveland, OH 44106 USA. RP Crites, AT (reprint author), Univ Chicago, Kavli Inst Cosmol Phys, 5640 S Ellis Ave, Chicago, IL 60637 USA. RI Novosad, Valentyn/C-2018-2014; Novosad, V /J-4843-2015 NR 8 TC 1 Z9 1 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0751-0 J9 AIP CONF PROC PY 2009 VL 1185 BP 203 EP + DI 10.1063/1.3292315 PG 2 WC Physics, Applied SC Physics GA BQR05 UT WOS:000281588500044 ER PT S AU Lueker, M Benson, B Bleem, L Chang, C Cho, HM Clarke, J Crites, A Crawford, T Dobbs, M Holzapfel, W Lanting, T Lee, A Mehl, J Plagge, T Shirokoff, E Spieler, H Vieira, J AF Lueker, Martin Benson, Bradford Bleem, Lindsey Chang, Clarence Cho, Hsiao-Mei Clarke, John Crites, Abigail Crawford, Thomas Dobbs, Matt Holzapfel, William Lanting, Trevor Lee, Adrian Mehl, Jared Plagge, Thomas Shirokoff, Erik Spieler, Helmuth Vieira, Joaquin BE Cabrera, B Miller, A Young, B TI A Frequency Domain Multiplexed Receiver for the South Pole Telescope SO LOW TEMPERATURE DETECTORS LTD 13 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Workshop on Low Temperature Detectors CY JUL 20-24, 2009 CL Stanford, CA SP Stanford Univ, Phys Dept, Hansen Expt Phys Lab, Kavli Inst Particle Astrophys & Cosmol, US DOE, SLAC Natl Accelerator Ctr, Natl Sci Fdn, NASA, Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, Calif Inst Technol, Jet Propuls Lab, Lockheed Martin Corp, Apple DE Multiplexing; Transition-edge; Bolometer; Systems-engineering ID TRANSITION-EDGE SENSORS; ARRAYS; READOUT AB The South Pole Telescope (SPT), like its precursor experiment APEX-SZ,makes mm-wavelength observations of the Cosmic Microwave Background (CMB). Both of these experiments utilize large-scale bolometer arrays with Frequency-Domain Multiplexing to read out multiple TES bolometers with one SQUID. Though Frequency-Domain Mutltiplexing was successfully demonstrated well before the deployment of the SPT, there were many system level details that needed to be dealt with when transitioning from a small-scale "proof-of-principle" system to a full kilo-pixel array that has to operate reliably in the field. These changes vary in scope from the thermal design of the bolometers themselves, to the SQUID feedback electronics and the software used to operate these electronics. In this paper we describe some of the systems-engineering details involved in building a multiplexed instrument such as the SPT receiver. C1 [Lueker, Martin; Clarke, John; Holzapfel, William; Lee, Adrian; Plagge, Thomas; Shirokoff, Erik] Univ Calif Berkeley, 151 LeConte Hall, Berkeley, CA 94720 USA. [Benson, Bradford; Bleem, Lindsey; Chang, Clarence; Crites, Abigail; Crawford, Thomas; Mehl, Jared; Vieira, Joaquin] Univ Chicago, Chicago, IL 60637 USA. [Cho, Hsiao-Mei] Natl Inst Stand & Technol, Boulder, CO 90305 USA. [Dobbs, Matt] McGill Univ, Montreal, PQ H3A 2T8, Canada. [Lanting, Trevor] D Wave Syst, Burnaby, BC V5C 6G9, Canada. [Spieler, Helmuth] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Lueker, M (reprint author), Univ Calif Berkeley, 151 LeConte Hall, Berkeley, CA 94720 USA. RI Holzapfel, William/I-4836-2015 FU National Science Foundation [ANT-0638937, ANT-0130612]; Natural Sciences and Engineering Research Council of Canada and Canada Research Chairs program FX The South Pole Telescope team is supported by the National Science Foundation through grants ANT-0638937 and ANT-0130612. We thank LBNL engineers John Joseph and Chinh Vu for their work on the readout electronics. The McGill group acknowledges funding from the Natural Sciences and Engineering Research Council of Canada and Canada Research Chairs program. NR 11 TC 1 Z9 1 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0751-0 J9 AIP CONF PROC PY 2009 VL 1185 BP 241 EP + DI 10.1063/1.3292323 PG 2 WC Physics, Applied SC Physics GA BQR05 UT WOS:000281588500052 ER PT S AU Adams, JS Bandler, SR Brown, LE Boyce, KR Chiao, MP Doriese, WB Eckart, ME Hilton, GC Kelley, RL Kilbourne, CA Porter, FS Rabin, MW Smith, SJ Stewart, DD Ullom, JN AF Adams, J. S. Bandler, S. R. Brown, L. E. Boyce, K. R. Chiao, M. P. Doriese, W. B. Eckart, M. E. Hilton, G. C. Kelley, R. L. Kilbourne, C. A. Porter, F. S. Rabin, M. W. Smith, S. J. Stewart, D. D. Ullom, J. N. BE Cabrera, B Miller, A Young, B TI Real-Time Data Processing for X-Ray Spectroscopy SO LOW TEMPERATURE DETECTORS LTD 13 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Workshop on Low Temperature Detectors CY JUL 20-24, 2009 CL Stanford, CA SP Stanford Univ, Phys Dept, Hansen Expt Phys Lab, Kavli Inst Particle Astrophys & Cosmol, US DOE, SLAC Natl Accelerator Ctr, Natl Sci Fdn, NASA, Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, Calif Inst Technol, Jet Propuls Lab, Lockheed Martin Corp, Apple DE X-ray Astronomy; Pulse Detection; Signal Processing; Optimal Filter AB Over the last decade, the field of x-ray calorimeters has matured to the point where calorimeter instruments are becoming more common, requiring the development of turnkey systems that are easy to use for non-expert operators. In addition, the use of large arrays in spaceflight instruments requires a significant reduction in data density in order to remain compatible with highly restricted telemetry bandwidths. As calorimeter instruments mature and find wider use outside of the laboratory, the ability to perform signal analysis and data reduction on the raw data stream in real-time has gone from a convenience to a necessity. We will report on the adaptation of the Digital Signal Processor (DSP) based analysis electronics originally developed for the 32 channel Astro-E and Astro-E2 satellite missions to a full software version implemented with off-the-shelf hardware. This implementation requires a minimum of human intervention and is capable of real-time data analysis of x-ray events on many channels simultaneously, including triggering, optimal filtering and pulse height analysis. This suite has been successfully deployed in the XRS/EBIT and the EBIT/ECS experiments at Lawrence Livermore Laboratory and has been operational for over five years. We are currently scaling this system to much larger arrays as a test-bed for the XMS instrument on the International X-Ray Observatory (IXO) and for ground experiments such as the gamma-ray spectrometer at Los Alamos National Laboratory. C1 [Adams, J. S.; Chiao, M. P.; Smith, S. J.] Univ Maryland Baltimore Cty, Baltimore, MD 21250 USA. [Bandler, S. R.] Univ Maryland, College Pk, MD 20742 USA. [Bandler, S. R.] CRESST, College Pk, MD 20742 USA. [Brown, L. E.] Johns Hopkins Univ, Appl Phys Lab, Laurel, MD 20723 USA. [Boyce, K. R.; Eckart, M. E.; Kelley, R. L.; Kilbourne, C. A.; Porter, F. S.; Stewart, D. D.] NASA, Goddard Space Flight Ctr, X Ray Astrophys Lab, Greenbelt, MD 20771 USA. [Doriese, W. B.; Hilton, G. C.; Ullom, J. N.] Natl Inst Stand & Technol, Boulder, CO 80305 USA. [Rabin, M. W.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Adams, JS (reprint author), Univ Maryland Baltimore Cty, Baltimore, MD 21250 USA. RI Bandler, Simon/A-6258-2010; Smith, Stephen/B-1256-2008; Porter, Frederick/D-3501-2012; Kelley, Richard/K-4474-2012 OI Bandler, Simon/0000-0002-5112-8106; Smith, Stephen/0000-0003-4096-4675; Porter, Frederick/0000-0002-6374-1119; NR 5 TC 2 Z9 2 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0751-0 J9 AIP CONF PROC PY 2009 VL 1185 BP 274 EP + DI 10.1063/1.3292331 PG 2 WC Physics, Applied SC Physics GA BQR05 UT WOS:000281588500060 ER PT S AU Seitz, DN Ahmed, Z Akerib, DS Arrenberg, S Bailey, CN Balakishiyeva, D Baudis, L Bauer, DA Beaty, J Brink, PL Bruch, T Bunker, R Cabrera, B Caldwell, DO Clark, K Cooley, J Cushman, P DeJongh, F Dragowsky, MR Duong, L Figueroa-Feliciano, E Filippini, J Fritts, M Golwala, SR Grant, DR Hall, J Hennings-Yeomans, R Hertel, S Homgren, D Hsu, L Huber, ME Kamaev, O Kiveni, M Kos, M Leman, SW Mahapatra, R Mandic, V Moore, D McCarthy, KA Mirabolfathi, N Nelson, H Novak, L Ogburn, RW Pyle, M Qiu, X Ramberg, E Rau, W Reisetter, A Saab, T Sadoulet, B Sander, J Schnee, RW Serfass, B Sundqvist, KM Tomada, A Wang, G Wikus, P Yellin, S Yoo, J Young, BA AF Seitz, D. N. Ahmed, Z. Akerib, D. S. Arrenberg, S. Bailey, C. N. Balakishiyeva, D. Baudis, L. Bauer, D. A. Beaty, J. Brink, P. L. Bruch, T. Bunker, R. Cabrera, B. Caldwell, D. O. Clark, K. Cooley, J. Cushman, P. DeJongh, F. Dragowsky, M. R. Duong, L. Figueroa-Feliciano, E. Filippini, J. Fritts, M. Golwala, S. R. Grant, D. R. Hall, J. Hennings-Yeomans, R. Hertel, S. Homgren, D. Hsu, L. Huber, M. E. Kamaev, O. Kiveni, M. Kos, M. Leman, S. W. Mahapatra, R. Mandic, V. Moore, D. McCarthy, K. A. Mirabolfathi, N. Nelson, H. Novak, L. Ogburn, R. W. Pyle, M. Qiu, X. Ramberg, E. Rau, W. Reisetter, A. Saab, T. Sadoulet, B. Sander, J. Schnee, R. W. Serfass, B. Sundqvist, K. M. Tomada, A. Wang, G. Wikus, P. Yellin, S. Yoo, J. Young, B. A. BE Cabrera, B Miller, A Young, B TI SuperCDMS Detector Readout Cryogenic Hardware SO LOW TEMPERATURE DETECTORS LTD 13 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Workshop on Low Temperature Detectors CY JUL 20-24, 2009 CL Stanford, CA SP Stanford Univ, Phys Dept, Hansen Expt Phys Lab, Kavli Inst Particle Astrophys & Cosmol, US DOE, SLAC Natl Accelerator Ctr, Natl Sci Fdn, NASA, Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, Calif Inst Technol, Jet Propuls Lab, Lockheed Martin Corp, Apple DE CDMS; SuperCDMS; Dark Matter; Cold Hardware AB SuperCDMS employs 1-inch thick germanium crystals operated below 50mK in a dilution cryostat. Each detector produces ionization and phonon signals. Ionization signals are amplified by JFETs operating at 150K within an assembly mounted on the 4K cryostat stage. These high impedance signals are carried to the FETs by superconducting "vacuum coaxes" which minimize thermal conductivity, stray capacitance, and microphonics. Transition edge sensors produce low-impedance phonon signals, amplified by SQUID arrays mounted on a 600mK stage. Detectors are mounted in a six-sided wiring configuration called a "tower", which carries signals from 40mK to 4K. A flex circuit 3 meters in length carries amplified signals for each detector from 4K to a vacuum bulkhead. We describe the methods used to support the detectors, wiring and amplifier elements at various thermal stages, minimizing electrical noise and thermal loads. C1 [Seitz, D. N.; Filippini, J.; Mirabolfathi, N.; Sadoulet, B.; Serfass, B.; Sundqvist, K. M.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Akerib, D. S.; Bailey, C. N.; Balakishiyeva, D.; Clark, K.; Dragowsky, M. R.; Grant, D. R.; Hennings-Yeomans, R.] Case Western Reserve Univ, Dept Phys, Cleveland, OH 44106 USA. [Ahmed, Z.; Golwala, S. R.; Moore, D.; Ogburn, R. W.; Wang, G.] CALTECH, Dept Phys, Pasadena, CA 91125 USA. [Arrenberg, S.; Baudis, L.; Bruch, T.] Univ Zurich, Inst Phys, CH-8001 Zurich, Switzerland. [Balakishiyeva, D.; Saab, T.] Univ Florida, Dept Phys, Gainesville, FL 32611 USA. [Bauer, D. A.; DeJongh, F.; Hall, J.; Homgren, D.; Hsu, L.; Ramberg, E.; Yoo, J.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Beaty, J.; Cushman, P.; Duong, L.; Fritts, M.; Kamaev, O.; Mandic, V.; Qiu, X.; Reisetter, A.] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. [Brink, P. L.; Cabrera, B.; Cooley, J.; Novak, L.; Ogburn, R. W.; Pyle, M.; Tomada, A.; Yellin, S.] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Bunker, R.; Caldwell, D. O.; Nelson, H.; Sander, J.; Yellin, S.] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. [Figueroa-Feliciano, E.; Hertel, S.; Wikus, P.] MIT, Dept Phys, Cambridge, MA 02139 USA. [Huber, M. E.] Univ Colorado Denver, Dept Phys & Engr, Denver, CO 80217 USA. [Kiveni, M.; Kos, M.; Schnee, R. W.] Syracuse Univ, Dept Phys, Syracuse, NY 13210 USA. [Mahapatra, R.] Texas A&M Univ, Dept Phys, College Stn, TX 93106 USA. [Rau, W.] Queens Univ, Dept Phys, Kingston, ON K7L 3N6, Canada. [Reisetter, A.] St Olaf Coll, Dept Phys, Northfield, MN 55057 USA. [Sadoulet, B.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Young, B. A.] Santa Clara Univ, Dept Phys, Santa Clara, CA 95053 USA. RP Seitz, DN (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RI Huber, Martin/B-3354-2011; Bailey, Catherine/C-6107-2009; Qiu, Xinjie/C-6164-2012; Hall, Jeter/F-6108-2013; Pyle, Matt/E-7348-2015 OI Pyle, Matt/0000-0002-3490-6754 FU National Science Foundation [AST-9978911, PHY-0542066, PHY-0503729, PHY-0503629, PHY-0503641, PHY-0504224, PHY-0705052, PHY-0801536, PHY-0801708, PHY-0801712, PHY-0802575]; Department of Energy [DE-AC03-76SF00098, DE-FG02-91ER40688, DEFG02-92ER40701, DE-FG03- 90ER40569, DEFG03-91ER40618]; Swiss National Foundation [20-118119]; NSERC Canada [341314-07] FX This work is supported in part by the National Science Foundation (Grant Nos. AST-9978911, PHY-0542066, PHY-0503729, PHY-0503629, PHY-0503641, PHY-0504224, PHY-0705052, PHY-0801536, PHY-0801708, PHY-0801712 and PHY-0802575), by the Department of Energy (Contracts DE-AC03-76SF00098, DE-FG02-91ER40688, DEFG02- 92ER40701, DE-FG03- 90ER40569, and DEFG03-91ER40618), by the Swiss National Foundation (SNF Grant No. 20-118119), and by NSERC Canada (Grant SAPIN 341314-07). NR 2 TC 1 Z9 1 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0751-0 J9 AIP CONF PROC PY 2009 VL 1185 BP 282 EP + DI 10.1063/1.3292334 PG 2 WC Physics, Applied SC Physics GA BQR05 UT WOS:000281588500062 ER PT S AU Ferrusca, D Castillo-Dominguez, E Velazquez, M Hughes, D Serrano, A Torres-Jacome, A AF Ferrusca, D. Castillo-Dominguez, E. Velazquez, M. Hughes, D. Serrano, A. Torres-Jacome, A. BE Cabrera, B Miller, A Young, B TI Far IR Transmission Characteristics of Silicon Nitride Films using Fourier Transform Spectroscopy SO LOW TEMPERATURE DETECTORS LTD 13 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Workshop on Low Temperature Detectors CY JUL 20-24, 2009 CL Stanford, CA SP Stanford Univ, Phys Dept, Hansen Expt Phys Lab, Kavli Inst Particle Astrophys & Cosmol, US DOE, SLAC Natl Accelerator Ctr, Natl Sci Fdn, NASA, Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, Calif Inst Technol, Jet Propuls Lab, Lockheed Martin Corp, Apple DE Silicon Nitride; FTS ID APODIZING FUNCTIONS; BOLOMETERS AB We are fabricating amorphous Silicon (a-Si) bolometers doped with boron with a measured NEP similar to 1.5 x 10(-16) W/Hz(1/2) suitable for use in millimeter and sub-millimeter astronomy. In this paper we present the preliminary results of the absorber optimization for the a-Si bolometers. A film of Silicon Nitride (SiN), deposited by LPCVD (Low Pressure Chemical Vapor Deposition) process at INAOE, with or without metallic coating is used as a weak thermal link to the heat sink as well as an absorber. We have measured the transmission spectrum of thin films of SiN in the range of 200 to 1000 GHz using Fourier Transform Spectroscopy (FTS) and a bolometric system with a NEP similar to 1.26 x 10(-13). The transmission of thin films of SiN with a thickness of 0.4 mu m has been measured at temperatures of 290 K and 4 K. The uncoated SiN films have a transmission of 80% and we expect a 50% transmission for the metallic (e.g. Titanium) coated films. C1 [Ferrusca, D.; Castillo-Dominguez, E.; Hughes, D.; Serrano, A.; Torres-Jacome, A.] Inst Nacl Astrofis Opt & Electr, AP 51 & 216, Puebla 72000, Mexico. [Velazquez, M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Ferrusca, D (reprint author), Inst Nacl Astrofis Opt & Electr, AP 51 & 216, Puebla 72000, Mexico. RI Castillo, Edgar/F-2384-2016; Castillo, Edgar/N-6051-2016 NR 12 TC 0 Z9 0 U1 1 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0751-0 J9 AIP CONF PROC PY 2009 VL 1185 BP 330 EP + DI 10.1063/1.3292346 PG 2 WC Physics, Applied SC Physics GA BQR05 UT WOS:000281588500074 ER PT S AU Wang, G Yefremenko, V Datesman, A Novosad, V Pearson, J Shustakova, G Divan, R Lee, J Chang, CL McMahon, J Bleem, L Crites, AT Downes, T Mehl, J Everett, W Meyer, SS Carlstrom, JE Sayer, J Ruhl, J AF Wang, G. Yefremenko, V. Datesman, A. Novosad, V. Pearson, J. Shustakova, G. Divan, R. Lee, J. Chang, C. L. McMahon, J. Bleem, L. Crites, A. T. Downes, T. Mehl, J. Everett, W. Meyer, S. S. Carlstrom, J. E. Sayer, J. Ruhl, J. BE Cabrera, B Miller, A Young, B TI Thermal Modeling of Absorber-Coupled TES Polarimeter SO LOW TEMPERATURE DETECTORS LTD 13 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Workshop on Low Temperature Detectors CY JUL 20-24, 2009 CL Stanford, CA SP Stanford Univ, Phys Dept, Hansen Expt Phys Lab, Kavli Inst Particle Astrophys & Cosmol, US DOE, SLAC Natl Accelerator Ctr, Natl Sci Fdn, NASA, Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, Calif Inst Technol, Jet Propuls Lab, Lockheed Martin Corp, Apple DE Bolometer; thermal conductance; superconducting detector; astrophysical instrumentation ID MAGNETIC-FIELDS AB Using experimental thermal conductivity and volume heat capacity of narrow silicon nitride beams obtained from thermal test structures and a boundary limited phonon scattering model, as well as the heat conduction equation, we analyze the thermal performance of an absorber-coupled TES polarimeter with finite element method. The polarimeter's temperature distribution, thermal power readout efficiency, and time constant are calculated. The thermal power readout efficiency of the polarimeter is up to 87% at a low signal modulation frequency, and has a 0.5 dB attenuation at 120Hz. We also compare a preliminary optical testing result with theoretical expectation. C1 [Wang, G.; Yefremenko, V.; Datesman, A.; Novosad, V.; Pearson, J.; Shustakova, G.] Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. [Divan, R.] Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. [Lee, J.] Argonne Natl Lab, Adv Photon Source, 9700 S Cass Ave, Argonne, IL 60439 USA. [Chang, C. L.; McMahon, J.; Bleem, L.; Crites, A. T.; Downes, T.; Mehl, J.; Everett, W.; Meyer, S. S.; Carlstrom, J. E.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Sayer, J.; Ruhl, J.] Case Western Reserve Univ, Dept Phys, Cleveland, OH 44106 USA. [Shustakova, G.] B Verkin Inst Low Temp Phys & Engn, UA-61103 Kharkov, Ukraine. RP Wang, G (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Novosad, Valentyn/C-2018-2014; Novosad, V /J-4843-2015 FU NIST Quantum Sensors Group at Boulder for providing SQUID arrays; U.S. Department of Energy [DE-AC02-06CH11357]; National Science Foundation [ANT- 0638937]; NSF Physics Frontier Center [PHY-0114422]; Kavli Foundation; Gordon Foundation; Betty Moore Foundation FX The authors wish to acknowledge the support from the NIST Quantum Sensors Group at Boulder for providing SQUID arrays, and to thank Matthew E. Kenyon at JPL for suggestions in devices fabrication. The work at Argonne National Laboratory, including the use of facility at the Center for Nanoscale Materials, was supported by the U.S. Department of Energy, under Contract No. DE-AC02-06CH11357. The work at the University of Chicago is supported by the National Science Foundation through grant ANT- 0638937 and the NSF Physics Frontier Center grant PHY-0114422 to the Kavh Institute of Cosmo logical Physics at the University of Chicago. It also receives generous support from the Kavli Foundation and the Gordon and Betty Moore Foundation. NR 19 TC 3 Z9 3 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0751-0 J9 AIP CONF PROC PY 2009 VL 1185 BP 334 EP + DI 10.1063/1.3292347 PG 2 WC Physics, Applied SC Physics GA BQR05 UT WOS:000281588500075 ER PT S AU Yefremenko, V Datesman, A Wang, G Pearson, J Novosad, V Divan, R Bleem, LE Chang, CL Crites, AT Everett, W McMahon, J Mehl, J Meyer, SS Ruhl, J Sayre, J Carlstrom, JE AF Yefremenko, V. Datesman, A. Wang, G. Pearson, J. Novosad, V. Divan, R. Bleem, L. E. Chang, C. L. Crites, A. T. Everett, W. McMahon, J. Mehl, J. Meyer, S. S. Ruhl, J. Sayre, J. Carlstrom, J. E. BE Cabrera, B Miller, A Young, B TI Design and Fabrication of Argonne/KICP Detectors for CMB Polarization SO LOW TEMPERATURE DETECTORS LTD 13 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Workshop on Low Temperature Detectors CY JUL 20-24, 2009 CL Stanford, CA SP Stanford Univ, Phys Dept, Hansen Expt Phys Lab, Kavli Inst Particle Astrophys & Cosmol, US DOE, SLAC Natl Accelerator Ctr, Natl Sci Fdn, NASA, Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, Calif Inst Technol, Jet Propuls Lab, Lockheed Martin Corp, Apple DE Transition Edge Sensor; CMB polarimetry; low temperature detectors; superconducting bolometer ID MILLIMETER WAVES; BOLOMETERS AB We present the design, microfabrication and assembly of dual-polarization absorber-coupled Transition Edge Sensor (TES) bolometer detectors for cosmic microwave background B-mode polarization studies. The device consists of two separate dies incorporating suspended silicon nitride membranes within silicon frames, carefully aligned perpendicularly and fixtured face-to-face. Polarization sensitivity around 95GHz is provided by a single dipole-like absorber element; we briefly analyze this absorber-in-waveguide configuration in closed form using the EMF method. Proximity effect Mo/Au bilayers provide control of the TES critical temperature between 400mK and 600mK, with a normal resistance R-n similar to 1 Omega. DC magnetron sputtering, wet etching, and liftoff were employed for TES fabrication. Optimization of the superconducting Mo thin film utilized independent RF bias applied to the substrate during deposition in a confocal geometry. This technique allows outstanding thin film uniformity and stress to be achieved simultaneously over a 4" wafer surface, leading to excellent superconducting properties. Device thermal conductance in the range from 25-250pW/K was achieved using suspended silicon nitride membranes 1 micron thick. The value of the thermal conductance depends very strongly upon the surface roughness, and therefore in turn upon the treatment of the silicon nitride material during fabrication. C1 [Yefremenko, V.; Datesman, A.; Wang, G.; Pearson, J.; Novosad, V.] Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. [Bleem, L. E.; Chang, C. L.; Crites, A. T.; Everett, W.; McMahon, J.; Mehl, J.; Meyer, S. S.; Carlstrom, J. E.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Divan, R.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Ruhl, J.; Sayre, J.] Case Western Reserve Univ, Cleveland, OH 44106 USA. RP Yefremenko, V (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Novosad, Valentyn/C-2018-2014; Novosad, V /J-4843-2015 FU UChicago Argonne; LLC; Operator of Argonne National Laboratory ("Argonne"); US Department of Energy Office of Science Laboratory [DE-AC02-06CH1I357]; National Science Foundation [ANT-0638937]; NSF Physics Frontier Center [PHY-0114422]; Kavli Foundation; Gordon Foundation; Betty Moore Foundation FX We thank the devices group at NIST-Boulder for providing the SQUID array for TES readout, as well as Matt Kenyon from JPL for useful discussions about thermal transport and device microfabrication. Thework at ANL, including the use of the facilities at the Center for Nanoscale Materials, was supported by UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a US Department of Energy Office of Science Laboratory, is operated under Contract No. DE-AC02-06CH1I357. Work at the University of Chicago is supported by the National Science Foundation through Grant ANT-0638937 and the NSF Physics Frontier Center Grant PHY-0114422 to the Kavh Institute of Cosmological Physics at the University of Chicago. KICP also receives generous support from the Kavli Foundation and the Gordon and Betty Moore Foundation. NR 13 TC 4 Z9 4 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0751-0 J9 AIP CONF PROC PY 2009 VL 1185 BP 359 EP + DI 10.1063/1.3292352 PG 2 WC Physics, Applied SC Physics GA BQR05 UT WOS:000281588500079 ER PT S AU Westbrook, B Ade, PAR Bender, AN Cho, HM Clarke, J Dobbs, M Ferrusca, D Halverson, NW Holzapfel, WL Johnson, BR Kennedy, J Kermish, Z Lanting, T Lee, AT Lueker, M Mehl, J Meng, X Plagge, T Reichardt, CL Richards, PL Schwan, D Shirokoff, E Spieler, H AF Westbrook, B. Ade, P. A. R. Bender, A. N. Cho, H. M. Clarke, J. Dobbs, M. Ferrusca, D. Halverson, N. W. Holzapfel, W. L. Johnson, B. R. Kennedy, J. Kermish, Z. Lanting, T. Lee, A. T. Lueker, M. Mehl, J. Meng, X. Plagge, T. Reichardt, C. L. Richards, P. L. Schwan, D. Shirokoff, E. Spieler, H. BE Cabrera, B Miller, A Young, B TI Further Optimization of the APEX-SZ TES Bolometer Array SO LOW TEMPERATURE DETECTORS LTD 13 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Workshop on Low Temperature Detectors CY JUL 20-24, 2009 CL Stanford, CA SP Stanford Univ, Phys Dept, Hansen Expt Phys Lab, Kavli Inst Particle Astrophys & Cosmol, US DOE, SLAC Natl Accelerator Ctr, Natl Sci Fdn, NASA, Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, Calif Inst Technol, Jet Propuls Lab, Lockheed Martin Corp, Apple DE SZ Effect; Galaxy Clusters; Cosmology; Low Temperature Detectors; MicroFabriaction; APEX-SZ AB We describe the recent reoptimization of the detector array in the APEX-SZ receiver, which is currently operating at the APEX telescope in Chile. APEX-SZ is designed to image the Sunyaev Zel'dovich effect (SZE). Observations are made in a single spectral band centered on 150 GHz, which is where the decrement of the SZE peaks. The APEX-SZ transition-edge sensor bolometers are micro-fabricated in six 55-element sub arrays, which combine to form the full 330-element focal plane operating at 280 mK. We report on the newest generation of sub-arrays that use a lambda/4 silicon-filled backshort. Compared to the first generation array which used a 3 lambda/4 backshort, the new arrays have a broader bandwidth and an increased optical efficiency. We present spectral bandpass and efficiency measurements and compare these to electromagnetic simulations of the bolometer absorption. The overall improvement in optical coupling reduces the noise equivalent temperature (NET) of each bolometer by a factor of approximately 1.5. Several galaxy clusters have been observed using the new detectors and analysis of the data is currently underway. We also present plans for future upgrades to the receiver. C1 [Westbrook, B.; Cho, H. M.; Clarke, J.; Ferrusca, D.; Holzapfel, W. L.; Johnson, B. R.; Kermish, Z.; Lanting, T.; Lee, A. T.; Lueker, M.; Mehl, J.; Plagge, T.; Reichardt, C. L.; Richards, P. L.; Schwan, D.; Shirokoff, E.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Ade, P. A. R.; Bender, A. N.] Cardiff Univ, Sch Phys & Astron, Wales CF24 3YB, England. [Cho, H. M.] Natl Inst Standards & Technol, Boulder, CO 80305 USA. [Clarke, J.; Spieler, H.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Dobbs, M.; Kennedy, J.] McGill Univ, Dept Phys, Montreal, PQ H3A 2T8, Canada. [Halverson, N. W.] Univ Colorado, Ctr Astrophys & Space Astron, Boulder, CO 80309 USA. [Meng, X.] Univ Calif Berkeley, Dept Elect Engn & Comp sci, Berkeley, CA 94720 USA. RP Westbrook, B (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RI Holzapfel, William/I-4836-2015; OI Reichardt, Christian/0000-0003-2226-9169 NR 10 TC 2 Z9 2 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0751-0 J9 AIP CONF PROC PY 2009 VL 1185 BP 363 EP + DI 10.1063/1.3292353 PG 2 WC Physics, Applied SC Physics GA BQR05 UT WOS:000281588500080 ER PT S AU Brown, GV Adams, JS Beiersdorfer, P Clementson, J Frankel, M Kahn, SM Kelley, RL Kilbourne, CA Koutroumpa, D Leutenegger, M Porter, FS Thorn, DB Trabert, E AF Brown, G. V. Adams, J. S. Beiersdorfer, P. Clementson, J. Frankel, M. Kahn, S. M. Kelley, R. L. Kilbourne, C. A. Koutroumpa, D. Leutenegger, M. Porter, F. S. Thorn, D. B. Traebert, E. BE Cabrera, B Miller, A Young, B TI Laboratory Astrophysics, QED, and other Measurements using the EBIT Calorimeter Spectrometer at LLNL SO LOW TEMPERATURE DETECTORS LTD 13 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Workshop on Low Temperature Detectors CY JUL 20-24, 2009 CL Stanford, CA SP Stanford Univ, Phys Dept, Hansen Expt Phys Lab, Kavli Inst Particle Astrophys & Cosmol, US DOE, SLAC Natl Accelerator Ctr, Natl Sci Fdn, NASA, Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, Calif Inst Technol, Jet Propuls Lab, Lockheed Martin Corp, Apple DE X-ray; X-ray spectroscopy; calorimeter; astrophysics; QED ID BEAM ION-TRAP; CHARGE-EXCHANGE; SPECTROSCOPY; EMISSION AB We have used the EBIT Calorimeter Spectrometer (ECS), a microcalorimeter instrument built by the calorimeter group at the NASA/Goddard Space Flight Center, to make a variety of measurements since its installation at Lawrence Livermore National Laboratory's EBIT facility. These include measurements of charge exchange between neutral gas and K-and L- shell ions, measurements of the X-ray transmission efficiency of optical blocking filters, high resolution measurements of transition energies for high-Z, highly charged ions, and measurements of M and L-shell emission from highly charged tungsten following on earlier measurements of L-shell gold. Our results will see application in the interpretation of the spectra from the Jovian atmosphere and of the diffuse soft X-ray background, in tests of QED, and in diagnosing inertial and magnetic confinement fusion plasmas. These measurements augment previous laboratory astrophysics, atomic physics, and calibration measurements made using earlier versions of NASA's microcalorimeter spectrometer. C1 [Brown, G. V.; Beiersdorfer, P.; Clementson, J.; Frankel, M.; Traebert, E.] Lawrence Livermore Natl Lab, 7000 E Ave, Livermore, CA 94550 USA. [Adams, J. S.; Kelley, R. L.; Kilbourne, C. A.; Koutroumpa, D.; Leutenegger, M.; Porter, F. S.] NASA, GSFC, Baltimore, MD 21201 USA. [Kahn, S. M.] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Thorn, D. B.] GSI Darmstadt, Darmstadt, Germany. RP Brown, GV (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave, Livermore, CA 94550 USA. RI Porter, Frederick/D-3501-2012; Kelley, Richard/K-4474-2012 OI Porter, Frederick/0000-0002-6374-1119; FU U.S. Department of Energy; Lawrence Livermore National Laboratory [DE-AC52- 07NA27344]; NASA; NASA/GSFC; Stanford University FX This work was performed under the auspices of the U.S. Department of Energy by the Lawrence Livermore National Laboratory under contract DE-AC52- 07NA27344 and is supported by NASA grants to LLNL, NASA/GSFC, and Stanford University. NR 23 TC 3 Z9 3 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0751-0 J9 AIP CONF PROC PY 2009 VL 1185 BP 446 EP + DI 10.1063/1.3292374 PG 2 WC Physics, Applied SC Physics GA BQR05 UT WOS:000281588500098 ER PT S AU Porter, FS Adams, JS Beiersdorfer, P Brown, GV Clementson, J Frankel, M Kahn, SM Kelley, RL Kilbourne, CA AF Porter, F. Scott Adams, Joseph S. Beiersdorfer, Peter Brown, Gregory V. Clementson, Joel Frankel, Miriam Kahn, Steven M. Kelley, Richard L. Kilbourne, Caroline A. BE Cabrera, B Miller, A Young, B TI High-resolution x-ray spectroscopy with the EBIT Calorimeter Spectrometer SO LOW TEMPERATURE DETECTORS LTD 13 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Workshop on Low Temperature Detectors CY JUL 20-24, 2009 CL Stanford, CA SP Stanford Univ, Phys Dept, Hansen Expt Phys Lab, Kavli Inst Particle Astrophys & Cosmol, US DOE, SLAC Natl Accelerator Ctr, Natl Sci Fdn, NASA, Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, Calif Inst Technol, Jet Propuls Lab, Lockheed Martin Corp, Apple DE X-ray detector; Calorimeter; X-ray Spectroscopy; Laboratory Astrophysics ID XRS AB The EBIT Calorimeter Spectrometer (ECS) is a production-class 36 pixel x-ray calorimeter spectrometer that has been continuously operating at the Electron Beam Ion Trap (EBIT) facility at Lawrence Livermore National Laboratory for almost 2 years. The ECS was designed to be a long-lifetime, turn-key spectrometer that couples high performance with ease of operation and minimal operator intervention. To this end, a variant of the Suzaku/XRS spaceflight detector system has been coupled to a low-maintenance cryogenic system consisting of a long-lifetime liquid He cryostat, and a closed cycle, He-3 pre-cooled adiabatic demagnetization refrigerator. The ECS operates for almost 3 weeks between cryogenic servicing and the ADR operates at 0.05 K for more than 60 hours between automatic recycles under software control. Half of the ECS semiconductor detector array is populated with mid-band pixels that have a resolution of 4.5 eV FWHM, a bandpass from 0.05-12 keV, and a quantum efficiency of 95% at 6 keV. The other half of the array has thick HgTe absorbers that have a bandpass from 0.3 to over 100 keV, an energy resolution of 33 eV FWHM, and a quantum efficiency of 32% at 60 keV. In addition, the ECS uses a real-time, autonomous, data collection and analysis system developed for the Suzaku/XRS instrument and implemented in off-the-shelf hardware for the ECS. Here we will discuss the performance of the ECS instrument and its implementation as a turnkey cryogenic detector system. C1 [Porter, F. Scott; Adams, Joseph S.; Kelley, Richard L.; Kilbourne, Caroline A.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Beiersdorfer, Peter; Brown, Gregory V.; Clementson, Joel; Frankel, Miriam] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Kahn, Steven M.] Stanford Univ, Stanford, CA 94305 USA. RP Porter, FS (reprint author), NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. RI Porter, Frederick/D-3501-2012; Kelley, Richard/K-4474-2012 OI Porter, Frederick/0000-0002-6374-1119; FU U S Department of Energy; Lawrence Livermore National Laboratory [DE-AC52- 07NA27344]; NASA's Astronomy and Physics Research and Analysis Program; LLNL; Stanford; GSFC 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 and was supported in part by NASA's Astronomy and Physics Research and Analysis Program via grants to LLNL, Stanford, and GSFC. NR 9 TC 4 Z9 4 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0751-0 J9 AIP CONF PROC PY 2009 VL 1185 BP 454 EP + DI 10.1063/1.3292376 PG 2 WC Physics, Applied SC Physics GA BQR05 UT WOS:000281588500100 ER PT S AU McMahon, J Bleem, LE Crites, AT Carlstrom, JE Chang, CL Datesman, A Divan, R Everett, W Mehl, J Meyer, SS Novosad, V Pearson, J Ruhl, J Sayre, J Wang, G Yefremenko, V AF McMahon, J. Bleem, L. E. Crites, A. T. Carlstrom, J. E. Chang, C. L. Datesman, A. Divan, R. Everett, W. Mehl, J. Meyer, S. S. Novosad, V. Pearson, J. Ruhl, J. Sayre, J. Wang, G. Yefremenko, V. BE Cabrera, B Miller, A Young, B TI Optical design of Argonne/KICP detectors for CMB polarization SO LOW TEMPERATURE DETECTORS LTD 13 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Workshop on Low Temperature Detectors CY JUL 20-24, 2009 CL Stanford, CA SP Stanford Univ, Phys Dept, Hansen Expt Phys Lab, Kavli Inst Particle Astrophys & Cosmol, US DOE, SLAC Natl Accelerator Ctr, Natl Sci Fdn, NASA, Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, Calif Inst Technol, Jet Propuls Lab, Lockheed Martin Corp, Apple DE TES bolometers; CMB polarimetry AB We present simulations and measurements of a new optical coupling scheme for bolometric detectors for cosmic microwave background (CMB) polarization under development by Argonne National Labs and the University of Chicago. We show simulations of the performance and a tolerance analysis of this device along with measurements that validate its performance. Optical measurements of a prototype point to a 90% coupling efficiency with a cross-polarization below -20 dB. C1 [McMahon, J.] Univ Michigan, Dept Phys, 450 Church St, Ann Arbor, MI 48109 USA. [Bleem, L. E.; Crites, A. T.; Carlstrom, J. E.; Chang, C. L.; Everett, W.; Mehl, J.; Meyer, S. S.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Datesman, A.; Novosad, V.; Pearson, J.; Wang, G.; Yefremenko, V.] Argonne Natl Lab, MSD, Argonne, IL 60439 USA. [Divan, R.] Argonne Natl Lab, CNM, Argonne, IL 60439 USA. [Ruhl, J.; Sayre, J.] Case Western Reserve Univ, Dept Phys, Cleveland, OH 44106 USA. RP McMahon, J (reprint author), Univ Michigan, Dept Phys, 450 Church St, Ann Arbor, MI 48109 USA. RI Novosad, Valentyn/C-2018-2014; Novosad, V /J-4843-2015 FU National Science Foundation [ANT- 0638937]; NSF Physics Frontier Center [PHY-0114422]; Kavh Institute of Cosmological Physics at the University of Chicago. FX Work at the University of Chicago is supported by the National Science Foundation through grant ANT- 0638937 and the NSF Physics Frontier Center grant PHY-0114422 to the Kavh Institute of Cosmological Physics at the University of Chicago. NR 3 TC 4 Z9 4 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0751-0 J9 AIP CONF PROC PY 2009 VL 1185 BP 487 EP + DI 10.1063/1.3292384 PG 2 WC Physics, Applied SC Physics GA BQR05 UT WOS:000281588500108 ER PT S AU McMahon, JJ Aird, KA Benson, BA Bleem, LE Britton, J Carlstrom, JE Chang, CL Cho, HS de Haan, T Crawford, TM Crites, AT Datesman, A Dobbs, MA Everettt, W Halverson, NW Holder, GP Holzapfel, WL Hrubes, D Irwin, KD Joy, M Keisler, R Lanting, TM Lee, AT Leitch, EM Loehr, A Lueker, M Mehl, J Meyer, SS Mohr, JJ Montroy, TE Niemack, MD Ngeow, CC Novosad, V Padin, S Plagge, T Pryke, C Reichardt, C Ruhl, JE Schaffer, KK Shaw, L Shirokoff, E Spieler, HG Stadler, B Stark, AA Staniszewski, Z Vanderlinde, K Vieira, JD Wang, G Williamson, R Yefremenko, V Yoon, KW Zhan, O Zenteno, A AF McMahon, J. J. Aird, K. A. Benson, B. A. Bleem, L. E. Britton, J. Carlstrom, J. E. Chang, C. L. Cho, H. S. de Haan, T. Crawford, T. M. Crites, A. T. Datesman, A. Dobbs, M. A. Everettt, W. Halverson, N. W. Holder, G. P. Holzapfel, W. L. Hrubes, D. Irwin, K. D. Joy, M. Keisler, R. Lanting, T. M. Lee, A. T. Leitch, E. M. Loehr, A. Lueker, M. Mehl, J. Meyer, S. S. Mohr, J. J. Montroy, T. E. Niemack, M. D. Ngeow, C. C. Novosad, V. Padin, S. Plagge, T. Pryke, C. Reichardt, C. Ruhl, J. E. Schaffer, K. K. Shaw, L. Shirokoff, E. Spieler, H. G. Stadler, B. Stark, A. A. Staniszewski, Z. Vanderlinde, K. Vieira, J. D. Wang, G. Williamson, R. Yefremenko, V. Yoon, K. W. Zhan, O. Zenteno, A. BE Cabrera, B Miller, A Young, B TI SPTpol: an instrument for CMB polarization SO LOW TEMPERATURE DETECTORS LTD 13 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Workshop on Low Temperature Detectors CY JUL 20-24, 2009 CL Stanford, CA SP Stanford Univ, Phys Dept, Hansen Expt Phys Lab, Kavli Inst Particle Astrophys & Cosmol, US DOE, SLAC Natl Accelerator Ctr, Natl Sci Fdn, NASA, Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, Calif Inst Technol, Jet Propuls Lab, Lockheed Martin Corp, Apple DE Polarimetry; transition-edge sensors; bolometers; cosmic microwave background; cosmology ID POWER SPECTRA; 2003 FLIGHT; MICROWAVE; BOOMERANG AB SPTpol will consist of an 850 element polarization sensitive bolometric camera deployed to the South Pole Telescope in late 2011. This camera is optimized for measurement of the polarization of the cosmic microwave background with arcminute resolution. These measurements will be used to constrain neutrino masses and to constrain the amplitude of gravitational waves from inflation. The camera includes two detector architectures that observe in two different frequency bands. At 150 GHz, SPTpol will use 650 feedhorn-coupled TES polarimeters fabricated at NIST. At 90 GHz, it will use 200 absorber-coupled polarimeters developed at Argonne National Lab. The NIST pixels will be coupled to the telescope using a monolithic array of corrugated feeds and the Argonne devices will be coupled with individually machined contoured feeds. The entire focal plane will be readout using a digital frequency-domain multiplexer system. We provide an overview of the project, describe the detectors and discuss the design of this system. C1 [McMahon, J. J.] Univ Michigan, Dept Phys, 450 Church St, Ann Arbor, MI 48109 USA. [Aird, K. A.; Bleem, L. E.; Everettt, W.; Hrubes, D.; Keisler, R.; Vieira, J. D.; Williamson, R.] Univ Chicago, Dept Phys, Chicago, IL 60637 USA. [Benson, B. A.; Bleem, L. E.; Carlstrom, J. E.; Chang, C. L.; Crawford, T. M.; Crites, A. T.; Keisler, R.; Leitch, E. M.; Mehl, J.; Meyer, S. S.; Pryke, C.; Schaffer, K. K.; Vieira, J. D.] Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. [Benson, B. A.; Carlstrom, J. E.; Chang, C. L.; Mehl, J.; Meyer, S. S.; Pryke, C.; Schaffer, K. K.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. [Britton, J.; Cho, H. S.; Irwin, K. D.; Niemack, M. D.; Yoon, K. W.] NIST, Quantum Devices Grp, Boulder, CO 80305 USA. [Crawford, T. M.; Crites, A. T.; Leitch, E. M.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [de Haan, T.; Dobbs, M. A.; Holder, G. P.; Lanting, T. M.; Shaw, L.; Vanderlinde, K.] McGill Univ, Dept Phys, Montreal, PQ H3A 2T8, Canada. [Datesman, A.; Novosad, V.; Wang, G.; Yefremenko, V.] Argonne Natl Lab, MSD, Argonne, IL 60439 USA. [Halverson, N. W.] Univ Colorado, Dept Astrophys & Planetary Sci, Boulder, CO 80309 USA. [Halverson, N. W.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Holzapfel, W. L.; Lee, A. T.; Lueker, M.; Plagge, T.; Reichardt, C.; Shirokoff, E.; Zhan, O.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Joy, M.] NASA, Marshall Space Flight Ctr, Dept Space Sci, VP62, Huntsville, AL 35812 USA. [Loehr, A.; Stadler, B.; Stark, A. A.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Mohr, J. J.; Ngeow, C. C.; Zenteno, A.] Univ Illinois, Dept Astron, Urbana, IL 61801 USA. [Mohr, J. J.; Ngeow, C. C.; Zenteno, A.] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Montroy, T. E.; Ruhl, J. E.; Staniszewski, Z.] Case Western Reserve Univ, Dept Phys, Cleveland, OH 44106 USA. [Spieler, H. G.] Lawrence Berkeley Lab, Phys Div, Berkeley, CA 94720 USA. RP McMahon, JJ (reprint author), Univ Michigan, Dept Phys, 450 Church St, Ann Arbor, MI 48109 USA. RI Novosad, Valentyn/C-2018-2014; Holzapfel, William/I-4836-2015; Novosad, V /J-4843-2015; OI Britton, Joe/0000-0001-8103-7347; Aird, Kenneth/0000-0003-1441-9518; Reichardt, Christian/0000-0003-2226-9169 NR 24 TC 51 Z9 51 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0751-0 J9 AIP CONF PROC PY 2009 VL 1185 BP 511 EP + PG 2 WC Physics, Applied SC Physics GA BQR05 UT WOS:000281588500114 ER PT S AU Pedretti, M AF Pedretti, M. CA CUORE Collaboration BE Cabrera, B Miller, A Young, B TI A ton-scale bolometric detector for the search for neutrinoless double beta decay SO LOW TEMPERATURE DETECTORS LTD 13 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Workshop on Low Temperature Detectors CY JUL 20-24, 2009 CL Stanford, CA SP Stanford Univ, Phys Dept, Hansen Expt Phys Lab, Kavli Inst particle Astrophys & Cosmol, US DOE, SLAC Natl Accelerator Ctr, Natl Sci Fdn, NASA, Lawernce Berkeley Natl Lab, Lawrence Livermore Natl Lab, Calif Inst Technol, Jet Propuls Lab, Lockheed Martin Corp, Apple DE Neutrinos; Double Beta Decay; Bolometers; low temperature detectors; low radioactivity background ID PHYSICS AB After an introduction on neutrinoless double beta decay physics, a description of CUORE and CUORICINO experiments, detectors and results are reported. The actual efforts and next steps of the CUORE Project, required to probe the inverted hierarchy region of the neutrino effective Majorana mass, are also described. C1 [Pedretti, M.; CUORE Collaboration] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Pedretti, M (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave, Livermore, CA 94550 USA. NR 6 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0751-0 J9 AIP CONF PROC PY 2009 VL 1185 BP 562 EP 564 DI 10.1063/1.3292404 PG 3 WC Physics, Applied SC Physics GA BQR05 UT WOS:000281588500126 ER PT S AU Mirabolfathi, N Ahmed, Z Akerib, DS Arrenberg, S Bailey, CN Balakishiyeva, D Baudis, L Bauer, DA Beaty, J Brink, PL Bruch, T Bunker, R Cabrera, B Caldwell, DO Clark, K Cooley, J Cushman, P DeJongh, F Dragowski, MR Duong, L Figueroa-Feliciano, E Filippini, J Fritts, M Golwala, SR Grant, DR Hall, J Hennins-Yeomans, R Hertel, S Homgren, D Hsu, L Huber, ME Kamaev, O Kiveni, M Kos, M Leman, SW Mahapatra, R Mandic, V Moore, D McCarthy, KA Nelson, H Ogburn, RW Pyle, M Qiu, X Ramberg, E Rau, W Reisetter, A Saab, T Sadoulet, B Sanders, J Schnee, RW Seitz, DN Serfass, B Sundqvist, KM Wang, G Yellin, S Yoo, J Young, BA AF Mirabolfathi, N. Ahmed, Z. Akerib, D. S. Arrenberg, S. Bailey, C. N. Balakishiyeva, D. Baudis, L. Bauer, D. A. Beaty, J. Brink, P. L. Bruch, T. Bunker, R. Cabrera, B. Caldwell, D. O. Clark, K. Cooley, J. Cushman, P. DeJongh, F. Dragowski, M. R. Duong, L. Figueroa-Feliciano, E. Filippini, J. Fritts, M. Golwala, S. R. Grant, D. R. Hall, J. Hennins-Yeomans, R. Hertel, S. Homgren, D. Hsu, L. Huber, M. E. Kamaev, O. Kiveni, M. Kos, M. Leman, S. W. Mahapatra, R. Mandic, V. Moore, D. McCarthy, K. A. Nelson, H. Ogburn, R. W. Pyle, M. Qiu, X. Ramberg, E. Rau, W. Reisetter, A. Saab, T. Sadoulet, B. Sanders, J. Schnee, R. W. Seitz, D. N. Serfass, B. Sundqvist, K. M. Wang, G. Yellin, S. Yoo, J. Young, B. A. BE Cabrera, B Miller, A Young, B TI The Cryogenic Dark Matter Search (CDMS) experiment: Results, status and perspective SO LOW TEMPERATURE DETECTORS LTD 13 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Workshop on Low Temperature Detectors CY JUL 20-24, 2009 CL Stanford, CA SP Stanford Univ, Phys Dept, Hansen Expt Phys Lab, Kavli Inst Particle Astrophys & Cosmol, US DOE, SLAC Natl Accelerator Ctr, Natl Sci Fdn, NASA, Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, Calif Inst Technol, Jet Propuls Lab, Lockheed Martin Corp, Apple DE Dark Matter; WIMPs; ZIPs; Low background; CDMS AB The Cryogenic Dark Matter Search experiment (CDMS) is using Phonon+Ionization detectors to search for Dark Matter in the form of Weakly Interactive Massive Particles (WIMPs). We report on new results from the operation of CDMS five "towers" at Soudan underground laboratory. With new and more massive detectors, SuperCDMS project has been started since March 2009. We report on the current status of SuperCDMS and its perspective. C1 [Mirabolfathi, N.; Filippini, J.; Sadoulet, B.; Seitz, D. N.; Serfass, B.; Sundqvist, K. M.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Akerib, D. S.; Bailey, C. N.; Clark, K.; Dragowski, M. R.; Grant, D. R.; Hennins-Yeomans, R.] Case Western Reserve Univ, Dept Phys, Cleveland, OH 44106 USA. [Ahmed, Z.; Filippini, J.; Golwala, S. R.; Moore, D.; Ogburn, R. W.; Wang, G.] CALTECH, Dept Phys, Pasadena, CA 91125 USA. [Arrenberg, S.; Baudis, L.; Bruch, T.; DeJongh, F.; Duong, L.] Univ Zurich, Inst Phys, Zurich, Switzerland. [Balakishiyeva, D.; Saab, T.] Univ Florida, Dept Phys, Gainesville, FL 32611 USA. [Bauer, D. A.; Hall, J.; Homgren, D.; Hsu, L.; Ramberg, E.; Yoo, J.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Beaty, J.; Cushman, P.; Duong, L.; Fritts, M.; Kamaev, O.; Mandic, V.; Qiu, X.; Reisetter, A.] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. [Brink, P. L.; Cabrera, B.; Cooley, J.; Ogburn, R. W.; Pyle, M.; Yellin, S.] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Bunker, R.; Caldwell, D. O.; Nelson, H.; Sanders, J.; Yellin, S.] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. [Figueroa-Feliciano, E.; Hertel, S.; McCarthy, K. A.] MIT, Dept Phys, Cambridge, MA 02139 USA. [Huber, M. E.] Univ Colorado, Dept Phys & Engn, Denver, CO 80217 USA. [Kiveni, M.; Kos, M.; Schnee, R. W.] Syracuse Univ, Dept Phys, Syracuse, NY 13244 USA. [Mahapatra, R.] Texas A&M Univ, Dept Phys, Santa Barbara, CA 93106 USA. [Rau, W.] Queens Univ, Dept Phys, Kingston, ON K7L 3N6, Canada. [Reisetter, A.] St Olaf Coll, Dept Phys, Northfield, MN 55057 USA. [Sadoulet, B.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Young, B. A.] Santa Clara Univ, Dept Phys, Santa Clara, CA 95053 USA. RP Mirabolfathi, N (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RI Huber, Martin/B-3354-2011; Bailey, Catherine/C-6107-2009; Qiu, Xinjie/C-6164-2012; Hall, Jeter/F-6108-2013; Pyle, Matt/E-7348-2015 OI Pyle, Matt/0000-0002-3490-6754 FU National Science Foundation [AST-9978911, PHY-0542066, PHY-0503729, PHY-0503629, PHY-0503641, PHY-0504224, PHY-0705052, PHY-0801536, PHY-0801708, PHY-0801712, PHY-0802575]; Department of Energy [DE-AC03-76SF00098, DE-FG02-91ER40688, DEFG02-92ER40701, DE-FG03-90ER40569, DEFG03-91ER40618]; Swiss National Foundation (SNF) [20-118119]; NSERC Canada [SAPIN 341314-07] FX This work is supported in part by the National Science Foundation (Grant Nos. AST-9978911,PHY-0542066,PHY-0503729,PHY-0503629, PHY-0503641,PHY-0504224, PHY-0705052, PHY-0801536, PHY-0801708, PHY-0801712 and PHY-0802575), by the Department of Energy (Contracts DE-AC03-76SF00098, DE-FG02-91ER40688, DEFG02-92ER40701, DE-FG03-90ER40569, and DEFG03-91ER40618), by the Swiss National Foundation (SNF Grant No. 20-118119), and by NSERC Canada (Grant SAPIN 341314-07). NR 10 TC 0 Z9 0 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0751-0 J9 AIP CONF PROC PY 2009 VL 1185 BP 623 EP + DI 10.1063/1.3292418 PG 2 WC Physics, Applied SC Physics GA BQR05 UT WOS:000281588500138 ER PT S AU Bailey, CN Ahmed, Z Akerib, DS Arrenberg, S Balakishiyeva, D Baudis, L Bauer, DA Beaty, J Brink, PL Bruch, T Bunker, R Cabrera, B Caldwell, DO Clark, K Cooley, J Cushman, P DeJongh, F Dragowsky, MR Duong, L Figueroa-Feliciano, E Filippini, J Fritts, M Golwala, SR Grant, DR Hall, J Hennings-Yeomans, R Hertel, S Hojem, A Homgren, D Hsu, L Huber, ME Kamaev, O Kiveni, M Kos, M Leman, SW Mahapatra, R Mandic, V Moore, D McCarthy, KA Mirabolfathi, N Nelson, H Ogburn, RW Pyle, M Qiu, X Ramberg, E Rau, W Reisetter, A Saab, T Sadoulet, B Sander, J Schnee, RW Seitz, DN Serfass, B Sundqvist, KM Tomada, A Wang, G Whilden, M Yellin, S Yoo, J Young, BA AF Bailey, C. N. Ahmed, Z. Akerib, D. S. Arrenberg, S. Balakishiyeva, D. Baudis, L. Bauer, D. A. Beaty, J. Brink, P. L. Bruch, T. Bunker, R. Cabrera, B. Caldwell, D. O. Clark, K. Cooley, J. Cushman, P. DeJongh, F. Dragowsky, M. R. Duong, L. Figueroa-Feliciano, E. Filippini, J. Fritts, M. Golwala, S. R. Grant, D. R. Hall, J. Hennings-Yeomans, R. Hertel, S. Hojem, A. Homgren, D. Hsu, L. Huber, M. E. Kamaev, O. Kiveni, M. Kos, M. Leman, S. W. Mahapatra, R. Mandic, V. Moore, D. McCarthy, K. A. Mirabolfathi, N. Nelson, H. Ogburn, R. W. Pyle, M. Qiu, X. Ramberg, E. Rau, W. Reisetter, A. Saab, T. Sadoulet, B. Sander, J. Schnee, R. W. Seitz, D. N. Serfass, B. Sundqvist, K. M. Tomada, A. Wang, G. Whilden, M. Yellin, S. Yoo, J. Young, B. A. BE Cabrera, B Miller, A Young, B TI Bulk and Surface Charge Collection: CDMS Detector Performance and Design Implications SO LOW TEMPERATURE DETECTORS LTD 13 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Workshop on Low Temperature Detectors CY JUL 20-24, 2009 CL Stanford, CA SP Stanford Univ, Phys Dept, Hansen Expt Phys Lab, Kavli Inst Particle Astrophys & Cosmol, US DOE, SLAC Natl Accelerator Ctr, Natl Sci Fdn, NASA, Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, Calif Inst Technol, Jet Propuls Lab, Lockheed Martin Corp, Apple DE CDMS; SuperCDMS; Dark Matter; Charge Collection ID DARK-MATTER SEARCH; DEAD-LAYER AB The Cryogenic Dark Matter Search (CDMS) searches for Weakly Interacting Massive Particles (WIMPs) with cryogenic germanium particle detectors. These detectors discriminate between nuclear-recoil candidate and electron-recoil background events by collecting both phonon and ionization energy from interactions in the crystal. Incomplete ionization collection results in the largest background in the CDMS detectors as this causes electron-recoil background interactions to appear as false candidate events. Two primary causes of incomplete ionization collection are suface and bulk charge trapping. Recent work has been focused on reducing surface trapping through the modification of fabrication methods for future detectors. Analyzing data taken with test devices shows that hydrogen passivation of the amorphous silicon blocking layer does not reduce the effects of surface trapping. Other data shows that the iron-ion implantation used to lower the critical temperature of the tungsten transition-edge sensors increases surface trapping, causing a degradation of the ionization collection. Using selective implantation on future detectors may improve ionization collection for events near the phonon side detector surface. Bulk trapping is minimized by neutralizing ionized lattice impurities. Detector investigations at testing facilities and at the experimental site in Soudan, MN have provided methods to optimize the neutralization process and monitor running conditions to maintain maximal ionization collection. C1 [Bailey, C. N.; Akerib, D. S.; Clark, K.; Dragowsky, M. R.; Grant, D. R.; Hennings-Yeomans, R.; Hojem, A.; Whilden, M.] Case Western Reserve Univ, Dept Phys, Cleveland, OH 44106 USA. [Ahmed, Z.; Filippini, J.; Golwala, S. R.; Moore, D.; Ogburn, R. W.; Wang, G.] CALTECH, Dept Phys, Pasadena, CA 91125 USA. [Arrenberg, S.; Baudis, L.; Bruch, T.] Univ Zurich, Inst Phys, Zurich, Switzerland. [Balakishiyeva, D.] Univ Florida, Dept Phys, Gainesville, FL 32611 USA. [Bauer, D. A.; DeJongh, F.; Hall, J.; Homgren, D.; Hsu, L.; Ramberg, E.; Yoo, J.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Beaty, J.; Cushman, P.; Duong, L.; Fritts, M.; Kamaev, O.; Mandic, V.; Qiu, X.; Reisetter, A.] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. [Brink, P. L.; Cabrera, B.; Cooley, J.; Ogburn, R. W.; Pyle, M.; Tomada, A.; Yellin, S.] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Bunker, R.; Caldwell, D. O.; Nelson, H.; Sander, J.; Yellin, S.] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. [Figueroa-Feliciano, E.; Hertel, S.; Leman, S. W.; McCarthy, K. A.] MIT, Dept Phys, Cambridge, MA 02139 USA. [Filippini, J.; Mirabolfathi, N.; Seitz, D. N.; Serfass, B.; Sundqvist, K. M.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Huber, M. E.] Univ Colorado, Dept Phys, Dept Engn, Denver, CO 80217 USA. [Kiveni, M.; Kos, M.; Schnee, R. W.] Syracuse Univ, Dept Phys, Syracuse, NY 13244 USA. [Mahapatra, R.] Texas A&M Univ, Dept Phys, Santa Barbara, CA 93106 USA. [Rau, W.] Queens Univ, Dept Phys, Kingston, ON K7L 3N6, Canada. [Reisetter, A.] St Olaf Coll, Dept Phys, Northfield, MN 55057 USA. [Sadoulet, B.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Young, B. A.] Santa Clara Univ, Dept Phys, Santa Clara, CA 95053 USA. RP Bailey, CN (reprint author), Case Western Reserve Univ, Dept Phys, Cleveland, OH 44106 USA. RI Huber, Martin/B-3354-2011; Bailey, Catherine/C-6107-2009; Qiu, Xinjie/C-6164-2012; Hall, Jeter/F-6108-2013; Pyle, Matt/E-7348-2015 OI Pyle, Matt/0000-0002-3490-6754 FU National Science Foundation [AST-9978911, PHY-0542066, PHY-0503729, PHY-0503629, PHY-0503641, PHY-0504224, PHY-0705052, PHY-0801536, PHY-0801708, PHY-0801712, PHY-0802575]; Department of Energy [DE-AC03-76SF00098, DE-FG02-91ER40688, DE-FG02-92ER40701, DEFG03-90ER40569, DE-FG03-91ER40618]; Swiss National Foundation (SNF) [20-118119]; NSERC Canada [SAPIN 341314-07] FX This work is supported in part by the National Science Foundation (Grant Nos. AST-9978911, PHY-0542066, PHY-0503729, PHY-0503629, PHY-0503641, PHY-0504224, PHY-0705052, PHY-0801536, PHY-0801708, PHY-0801712 and PHY-0802575), by the Department of Energy (Contracts DE-AC03-76SF00098,DE-FG02-91ER40688, DE-FG02-92ER40701, DEFG03-90ER40569, and DE-FG03-91ER40618), by the Swiss National Foundation (SNF GrantNo. 20-118119), and by NSERC Canada (Grant SAPIN 341314-07). NR 17 TC 2 Z9 2 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0751-0 J9 AIP CONF PROC PY 2009 VL 1185 BP 643 EP + DI 10.1063/1.3292423 PG 2 WC Physics, Applied SC Physics GA BQR05 UT WOS:000281588500143 ER PT S AU Brink, PL Ahmed, Z Akerib, DS Bailey, CN Balakishiyeva, D Bauer, DA Beaty, J Bunker, R Cabrera, B Caldwell, DO Cooley, J Silva, EDE Cushman, P Daal, M DeJongh, F Dragowsky, MR Duong, L Figueroa-Feliciano, E Filippini, J Fritts, M Golwala, SR Grant, DR Hall, J Hennings-Yeomans, R Hertel, S Hojem, A Holmgren, D Hsu, L Huber, ME Irwin, KD Kamaev, O Kos, M Kiveni, M Leman, SW Mahapatra, R Mandic, V McCarthy, KA Moore, D Mirabolfathi, N Nelson, H Novak, L Ogburn, RW Pyle, M Qiu, X Ramberg, E Rau, W Reisetter, A Saab, T Sadoulet, B Sander, J Schmitt, R Schnee, RW Seitz, DN Serfass, B Sundqvist, KM Tomada, A Wang, G Wikus, P Yellin, S Yoo, J Young, BA AF Brink, P. L. Ahmed, Z. Akerib, D. S. Bailey, C. N. Balakishiyeva, D. Bauer, D. A. Beaty, J. Bunker, R. Cabrera, B. Caldwell, D. O. Cooley, J. do Couto e Silva, E. Cushman, P. Daal, M. DeJongh, F. Dragowsky, M. R. Duong, L. Figueroa-Feliciano, E. Filippini, J. Fritts, M. Golwala, S. R. Grant, D. R. Hall, J. Hennings-Yeomans, R. Hertel, S. Hojem, A. Holmgren, D. Hsu, L. Huber, M. E. Irwin, K. D. Kamaev, O. Kos, M. Kiveni, M. Leman, S. W. Mahapatra, R. Mandic, V. McCarthy, K. A. Moore, D. Mirabolfathi, N. Nelson, H. Novak, L. Ogburn, R. W. Pyle, M. Qiu, X. Ramberg, E. Rau, W. Reisetter, A. Saab, T. Sadoulet, B. Sander, J. Schmitt, R. Schnee, R. W. Seitz, D. N. Serfass, B. Sundqvist, K. M. Tomada, A. Wang, G. Wikus, P. Yellin, S. Yoo, J. Young, B. A. BE Cabrera, B Miller, A Young, B TI SuperCDMS Detector Fabrication Advances SO LOW TEMPERATURE DETECTORS LTD 13 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Workshop on Low Temperature Detectors CY JUL 20-24, 2009 CL Stanford, CA SP Stanford Univ, Phys Dept, Hansen Expt Phys Lab, Kavli Inst Particle Astrophys & Cosmol, US DOE, SLAC Natl Accelerator Ctr, Natl Sci Fdn, NASA, Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, Calif Inst Technol, Jet Propuls Lab, Lockheed Martin Corp, Apple DE Dark Matter; Cryogenic detectors; Transition Edge Sensors; Semiconductor fabrication ID SENSORS AB For its dark matter search the SuperCDMS collaboration has developed new Ge detectors using the same athermal phonon sensors and ionization measurement technology of CDMS II but with larger mass, superior sensor performance and increased fabrication efficiency. The improvements in fabrication are described, a comparison of CDMS II and SuperCDMS detector production yield is reported, and future scalability addressed. C1 [Brink, P. L.; Cabrera, B.; Cooley, J.; Novak, L.; Pyle, M.; Tomada, A.; Yellin, S.] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Ahmed, Z.; Filippini, J.; Golwala, S. R.; Moore, D.; Ogburn, R. W.; Wang, G.] CALTECH, Dept Phys, Pasadena, CA 91125 USA. [Akerib, D. S.; Bailey, C. N.; Dragowsky, M. R.; Grant, D. R.; Hennings-Yeomans, R.; Hojem, A.] Case Western Reserve Univ, Dept Phys, Cleveland, OH 44106 USA. [Bauer, D. A.; DeJongh, F.; Holmgren, D.; Hsu, L.; Ramberg, E.; Schmitt, R.; Yoo, J.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Figueroa-Feliciano, E.; Hertel, S.; Leman, S. W.; McCarthy, K. A.; Wikus, P.] MIT, Dept Phys, Cambridge, MA 02139 USA. [Irwin, K. D.] Natl Inst Sci & Technol, Boulder, CO 80303 USA. [Rau, W.] Queens Univ, Dept Phys, Kingston, ON K7L 3N6, Canada. [Young, B. A.] Santa Clara Univ, Dept Phys, Santa Clara, CA 95053 USA. [do Couto e Silva, E.] KIPAC, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Kos, M.; Kiveni, M.; Schnee, R. W.] Syracuse Univ, Dept Phys, Syracuse, NY 13244 USA. [Mahapatra, R.] Texas A&M Univ, Dept Phys, College Stn, TX 77843 USA. [Daal, M.; Mirabolfathi, N.; Sadoulet, B.; Seitz, D. N.; Serfass, B.; Sundqvist, K. M.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Bunker, R.; Caldwell, D. O.; Nelson, H.; Sander, J.] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. [Huber, M. E.] Univ Denver, Dept Phys, Dept Elect Engn, Denver, CO 80217 USA. [Balakishiyeva, D.; Saab, T.] Univ Florida, Dept Phys, Gainesville, FL 32611 USA. [Beaty, J.; Cushman, P.; Duong, L.; Fritts, M.; Kamaev, O.; Mandic, V.; Qiu, X.; Reisetter, A.] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. RP Brink, PL (reprint author), Stanford Univ, Dept Phys, Stanford, CA 94305 USA. RI Huber, Martin/B-3354-2011; Bailey, Catherine/C-6107-2009; Qiu, Xinjie/C-6164-2012; Hall, Jeter/F-6108-2013; Pyle, Matt/E-7348-2015 OI Pyle, Matt/0000-0002-3490-6754 FU National Science Foundation [AST-9978911, PHY-0542066, PHY-0503729, PHY-0503629, PHY-0503641, PHY-0504224, PHY-0705052, PHY-0801536, PHY-0801708, PHY-0801712, PHY-0802575]; Department of Energy [DE-AC03-76SF00098, DE-FG02-91ER40688, DEFG03-90ER40569, DE-AC02-76SFO0515, DE-FG03-91ER40618]; NSERC Canada [341314-07] FX This work is supported in part by the National Science Foundation (Grant Nos. AST-9978911, PHY-0542066, PHY-0503729, PHY-0503629, PHY-0503641, PHY-0504224, PHY-0705052, PHY-0801536, PHY-0801708, PHY-0801712 and PHY-0802575), by the Department of Energy (Contracts DE-AC03-76SF00098, DE-FG02-91ER40688, DEFG03-90ER40569, DOE Contract DE-AC02-76SFO0515 and DE-FG03-91ER40618), and by NSERC Canada (Grant SAPIN 341314-07). NR 8 TC 5 Z9 5 U1 2 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0751-0 J9 AIP CONF PROC PY 2009 VL 1185 BP 655 EP + DI 10.1063/1.3292427 PG 2 WC Physics, Applied SC Physics GA BQR05 UT WOS:000281588500146 ER PT S AU Ahmed, Z Akerib, DS Bailey, CN Balakishiyeva, D Bauer, DA Beaty, J Brink, PL Bunker, R Cabrera, B Caldwell, DO Clark, K Cooley, J Cushman, P DeJongh, F Dragowsky, MR Duong, L Figueroa-Feliciano, E Filippini, J Fritts, M Golwala, SR Grant, DR Hall, J Hennings-Yeomans, R Hertel, S Homgren, D Hsu, L Huber, ME Kamaev, O Kiveni, M Kos, M Leman, SW Mahapatra, R Mandic, V Moore, D McCarthy, KA Mirabolfathi, N Nelson, H Ogburn, RW Pyle, M Qiu, X Ramberg, E Rau, W Reisetter, A Saab, T Sadoulet, B Sander, J Schnee, RW Seitz, DN Serfass, B Sundqvist, KM Tomada, A Wang, G Yellin, S Yoo, J Young, BA AF Ahmed, Z. Akerib, D. S. Bailey, C. N. Balakishiyeva, D. Bauer, D. A. Beaty, J. Brink, P. L. Bunker, R. Cabrera, B. Caldwell, D. O. Clark, K. Cooley, J. Cushman, P. DeJongh, F. Dragowsky, M. R. Duong, L. Figueroa-Feliciano, E. Filippini, J. Fritts, M. Golwala, S. R. Grant, D. R. Hall, J. Hennings-Yeomans, R. Hertel, S. Homgren, D. Hsu, L. Huber, M. E. Kamaev, O. Kiveni, M. Kos, M. Leman, S. W. Mahapatra, R. Mandic, V. Moore, D. McCarthy, K. A. Mirabolfathi, N. Nelson, H. Ogburn, R. W. Pyle, M. Qiu, X. Ramberg, E. Rau, W. Reisetter, A. Saab, T. Sadoulet, B. Sander, J. Schnee, R. W. Seitz, D. N. Serfass, B. Sundqvist, K. M. Tomada, A. Wang, G. Yellin, S. Yoo, J. Young, B. A. BE Cabrera, B Miller, A Young, B TI Characterization of SuperCDMS 1-inch Ge Detectors SO LOW TEMPERATURE DETECTORS LTD 13 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Workshop on Low Temperature Detectors CY JUL 20-24, 2009 CL Stanford, CA SP Stanford Univ, Phys Dept, Hansen Expt Phys Lab, Kavli Inst Particle Astrophys & Cosmol, US DOE, SLAC Natl Accelerator Ctr, Natl Sci Fdn, NASA, Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, Calif Inst Technol, Jet Propuls Lab, Lockheed Martin Corp, Apple DE Dark Matter; Cryogenic Detectors; SuperCDMS ID DARK-MATTER SEARCH AB The newly commissioned SuperCDMS Soudan experiment aims to search for WIMP dark matter with a sensitivity to cross sections of 5 x 10(-45) cm(2) and larger (90% CL upper limit). This goal is facilitated by a new set of germanium detectors, 2.5 times more massive than the ones used in the CDMS-II experiment, and with a different athermal phonon sensor layout that eliminates radial degeneracy in position reconstruction of high radius events. We present characterization data on these detectors, as well as improved techniques for correcting position-dependent variations in pulse shape across the detector. These improvements provide surface-event discrimination sufficient for a reach of 5 x 10(-45)cm(2). C1 [Ahmed, Z.; Filippini, J.; Golwala, S. R.; Moore, D.; Ogburn, R. W.; Wang, G.] CALTECH, Dept Phys, Pasadena, CA 91125 USA. [Akerib, D. S.; Bailey, C. N.; Clark, K.; Dragowsky, M. R.; Grant, D. R.; Hennings-Yeomans, R.] Case Western Reserve Univ, Dept Phys, Cleveland, OH 44106 USA. [Balakishiyeva, D.] Univ Florida, Dept Phys, Gainesville, FL 32611 USA. [Bauer, D. A.; DeJongh, F.; Hall, J.; Homgren, D.; Hsu, L.; Ramberg, E.; Yoo, J.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Beaty, J.; Cushman, P.; Duong, L.; Fritts, M.; Mandic, V.; Qiu, X.; Reisetter, A.] Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. [Brink, P. L.; Cabrera, B.; Cooley, J.; Ogburn, R. W.; Pyle, M.; Tomada, A.; Yellin, S.] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Bunker, R.; Caldwell, D. O.; Nelson, H.; Sander, J.; Yellin, S.] Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. [Figueroa-Feliciano, E.; Hertel, S.; Leman, S. W.; McCarthy, K. A.] MIT, Dept Phys, Cambridge, MA 02139 USA. [Filippini, J.; Mirabolfathi, N.; Sadoulet, B.; Seitz, D. N.; Serfass, B.; Sundqvist, K. M.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Huber, M. E.] Univ Colorado Denver, Dept Phys & Engn, Denver, CO 80217 USA. [Kiveni, M.; Kos, M.; Schnee, R. W.] Syracuse Univ, Dept Phys, Syracuse, NY 13244 USA. [Mahapatra, R.] Texas A&M Univ, Dept Phys, College Stn, TX 77843 USA. [Rau, W.] Queens Univ, Dept Phys, Kingston K7L3N6, ON, Canada. [Reisetter, A.] St Olaf Coll, Dept Phys, Northfield, MN 55057 USA. [Sadoulet, B.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Young, B. A.] Santa Clara Univ, Dept Phys, Santa Clara, CA 95053 USA. RP Ahmed, Z (reprint author), CALTECH, Dept Phys, Pasadena, CA 91125 USA. RI Huber, Martin/B-3354-2011; Bailey, Catherine/C-6107-2009; Qiu, Xinjie/C-6164-2012; Pyle, Matt/E-7348-2015 OI Pyle, Matt/0000-0002-3490-6754 NR 6 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0751-0 J9 AIP CONF PROC PY 2009 VL 1185 BP 659 EP + DI 10.1063/1.3292428 PG 2 WC Physics, Applied SC Physics GA BQR05 UT WOS:000281588500147 ER PT S AU Hoteling, N Bacrania, MK Hoover, AS Rabin, MW Croce, M Karpius, PJ Ullom, JN Bennett, DA Horansky, RD Vale, LR Doriese, WB AF Hoteling, N. Bacrania, M. K. Hoover, A. S. Rabin, M. W. Croce, M. Karpius, P. J. Ullom, J. N. Bennett, D. A. Horansky, R. D. Vale, L. R. Doriese, W. B. BE Cabrera, B Miller, A Young, B TI Issues in energy calibration, nonlinearity, and signal processing for gamma-ray microcalorimeter detectors SO LOW TEMPERATURE DETECTORS LTD 13 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Workshop on Low Temperature Detectors CY JUL 20-24, 2009 CL Stanford, CA SP Stanford Univ, Phys Dept, Hansen Expt Phys Lab, Kavli Inst Particle Astrophys & Cosmol, US DOE, SLAC Natl Accelerator Ctr, Natl Sci Fdn, NASA, Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, Calif Inst Technol, Jet Propuls Lab, Lockheed Martin Corp, Apple DE microcalorimeter; energy calibration; optimal filter ID NONSTATIONARY NOISE AB Issues regarding the energy calibration of high dynamic range microcalorimeter detector arrays are presented with respect to new results from a minor actinide-mixed oxide radioactive source. The need to move to larger arrays of such detectors necessitates the implementation of automated analysis procedures, which turn out to be nontrivial due to complex calibration shapes and pixel-to-pixel variability. Some possible avenues for improvement, including a more physics-based calibration procedure, are suggested. C1 [Hoteling, N.; Bacrania, M. K.; Hoover, A. S.; Rabin, M. W.; Croce, M.; Karpius, P. J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Ullom, J. N.; Bennett, D. A.; Horansky, R. D.; Vale, L. R.; Doriese, W. B.] Natl Inst Stand & Technol, Boulder, CO 80303 USA. RP Hoteling, N (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RI Bennett, Douglas/B-8001-2012 OI Bennett, Douglas/0000-0003-3011-3690 FU Department of Energy, Office of Nonproliferation and Development [DOE/NNSA/NA-22] FX We gratefully acknowledge the support of the Department of Energy, Office of Nonproliferation and Development (DOE/NNSA/NA-22). NR 13 TC 3 Z9 3 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0751-0 J9 AIP CONF PROC PY 2009 VL 1185 BP 711 EP + DI 10.1063/1.3292440 PG 2 WC Physics, Applied SC Physics GA BQR05 UT WOS:000281588500159 ER PT S AU Rabin, MW AF Rabin, Michael W. BE Cabrera, B Miller, A Young, B TI National and International Security Applications of Cryogenic Detectors-Mostly Nuclear Safeguards SO LOW TEMPERATURE DETECTORS LTD 13 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Workshop on Low Temperature Detectors CY JUL 20-24, 2009 CL Stanford, CA SP Stanford Univ, Phys Dept, Hansen Expt Phys Lab, Kavli Inst particle Astrophys & Cosmol, US DOE, SLAC Natl Accelerator Ctr, Natl Sci Fdn, NASA, Lawernce Berkeley Natl Lab, Lawrence Livermore Natl Lab, Calif Inst Technol, Jet Propuls Lab, Lockheed Martin Corp, Apple DE cryogenic detector; microcalorimeter; nuclear materials analysis; nuclear safeguards ID TRANSITION-EDGE SENSOR; MICROCALORIMETER DETECTORS; ENERGY-RESOLUTION; RAY; SPECTROSCOPY AB As with science, so with security in both arenas, the extraordinary sensitivity of cryogenic sensors enables high-confidence detection and high-precision measurement even of the faintest signals. Science applications are more mature, but several national and international security applications have been identified where cryogenic detectors have high potential payoff. International safeguards and nuclear forensics are areas needing new technology and methods to boost speed, sensitivity, precision and accuracy. Successfully applied, improved nuclear materials analysis will help constrain nuclear materials diversion pathways and contribute to treaty verification. Cryogenic microcalorimeter detectors for X-ray, gamma-ray, neutron, and alpha-particle spectrometry are under development with these aims in mind. In each case the unsurpassed energy resolution of microcalorimeters reveals previously invisible spectral features of nuclear materials. Preliminary results of quantitative analysis indicate substantial improvements are still possible, but significant work will be required to fully understand the ultimate performance limits. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Rabin, MW (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NR 41 TC 4 Z9 4 U1 2 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0751-0 J9 AIP CONF PROC PY 2009 VL 1185 BP 725 EP 732 DI 10.1063/1.3292444 PG 8 WC Physics, Applied SC Physics GA BQR05 UT WOS:000281588500162 ER PT S AU Croce, MP Bacrania, MK Hoover, AS Rabin, MW Hoteling, NJ LaMont, SP Plionis, AA Dry, DE Ullom, JN Bennett, DA Horansky, RD Kotsubo, V Cantor, R AF Croce, M. P. Bacrania, M. K. Hoover, A. S. Rabin, M. W. Hoteling, N. J. LaMont, S. P. Plionis, A. A. Dry, D. E. Ullom, J. N. Bennett, D. A. Horansky, R. D. Kotsubo, V. Cantor, R. BE Cabrera, B Miller, A Young, B TI Cryogenic Microcalorimeter System for Ultra-High Resolution Alpha-Particle Spectrometry SO LOW TEMPERATURE DETECTORS LTD 13 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th International Workshop on Low Temperature Detectors CY JUL 20-24, 2009 CL Stanford, CA SP Stanford Univ, Phys Dept, Hansen Expt Phys Lab, Kavli Inst Particle Astrophys & Cosmol, US DOE, SLAC Natl Accelerator Ctr, Natl Sci Fdn, NASA, Lawrence Berkeley Natl Lab, Lawrence Livermore Natl Lab, Calif Inst Technol, Jet Propuls Lab, Lockheed Martin Corp, Apple DE microcalorimeter; alpha particle; transition-edge sensor AB Microcalorimeters have been shown to yield unsurpassed energy resolution for alpha spectrometry, up to 1.06 keV FWHM at 5.3 MeV. These detectors use a superconducting transition-edge sensor (TES) to measure the temperature change in an absorber from energy deposited by an interacting alpha particle. Our system has four independent detectors mounted inside a liquid nitrogen/liquid helium cryostat. An adiabatic demagnetization refrigerator (ADR) cools the detector stage to its operating temperature of 80 mK. Temperature regulation with similar to 15-mu K peak-to-peak variation is achieved by PID control of the ADR. The detectors are voltage-biased, and the current signal is amplified by a commercial SQUID readout system and digitized for further analysis. This paper will discuss design and operation of our microcalorimeter alpha-particle spectrometer, and will show recent results. C1 [Croce, M. P.; Bacrania, M. K.; Hoover, A. S.; Rabin, M. W.; Hoteling, N. J.; LaMont, S. P.; Plionis, A. A.; Dry, D. E.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Ullom, J. N.; Bennett, D. A.; Horansky, R. D.; Kotsubo, V.] Natl Inst Stand & Technol, Boulder, CO 80303 USA. [Cantor, R.] Star Cryoelect, Santa Fe, NM USA. RP Croce, MP (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RI Bennett, Douglas/B-8001-2012 OI Bennett, Douglas/0000-0003-3011-3690 FU Department of Energy, Office of Nonproliferation Research and Development [DOE/NNSA/NA-22]; Department of Homeland Security Domestic Nuclear Detection Office [DHS/DNDO] FX We gratefully acknowledge the support of the Department of Energy, Office of Nonproliferation Research and Development (DOE/NNSA/NA-22) and the Department of Homeland Security Domestic Nuclear Detection Office (DHS/DNDO). NR 6 TC 4 Z9 4 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0751-0 J9 AIP CONF PROC PY 2009 VL 1185 BP 741 EP + DI 10.1063/1.3292448 PG 2 WC Physics, Applied SC Physics GA BQR05 UT WOS:000281588500165 ER PT S AU Huse, N Khalil, M Kim, TK Smeigh, AL Jamula, L McCusker, JK Schoenlein, RW AF Huse, Nils Khalil, Munira Kim, Tae Kyu Smeigh, Amanda L. Jamula, Lindsey McCusker, James K. Schoenlein, Robert W. BE Tanaka, K Ogawa, T Hashimoto, H Koshihara, S TI Probing Reaction Dynamics of Transition-Metal Complexes in Solution via Time-Resolved X-ray Spectroscopy SO LXIII YAMADA CONFERENCE ON PHOTO-INDUCED PHASE TRANSITION AND COOPERATIVE PHENOMENA (PIPT3) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 63rd Yamada Conference on Photo-Induced Phase Transition and Cooperative Phenomena (PIPT3) CY NOV 11-15, 2008 CL Osaka, JAPAN AB We report measurements of the photoinduced Fe-II spin crossover reaction dynamics in solution via time-resolved x-ray absorption spectroscopy. EXAFS measurements reveal that the iron-nitrogen bond lengthens by 0.21 +/- 0.03 angstrom in the high-spin transient excited state relative to the ground state. XANES measurements at the Fe L-edge show directly the influence of the structural change on the ligand-field splitting of the Fe-II 3d orbitals associated with the spin transition. C1 [Huse, Nils] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. [Khalil, Munira] Univ Washington, Dept Chem, Seattle, WA 98195 USA. [Kim, Tae Kyu] Pusan Natl Univ, Dept Chem, Pusan 609735, South Korea. [Smeigh, Amanda L.; Jamula, Lindsey; McCusker, James K.] Michigan State Univ, Dept Chem, E Lansing, MI 48824 USA. [Schoenlein, Robert W.] Lawrence Berkeley Natl Lab, Div Sci Mat, Berkeley, CA 94720 USA. RP Huse, N (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM nhuse@lbl.gov; rwschoenlein@lbl.gov RI Schoenlein, Robert/D-1301-2014 OI Schoenlein, Robert/0000-0002-6066-7566 FU Department of Energy at Lawrence Berkeley National Laboratory [DE-AC02-05CH11231] FX This work was supported by the Department of Energy under Contract No. DE-AC02-05CH11231 at Lawrence Berkeley National Laboratory NR 8 TC 11 Z9 11 U1 1 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2009 VL 148 AR 012043 DI 10.1088/1742-6596/148/1/012043 PG 4 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA BLE15 UT WOS:000269997600043 ER PT S AU Rini, M Tobey, R Dean, N Wall, S Ehrke, H Zhu, Y Tomioka, Y Tokura, Y Schoenlein, RW Cavalleri, A AF Rini, M. Tobey, R. Dean, N. Wall, S. Ehrke, H. Zhu, Y. Tomioka, Y. Tokura, Y. Schoenlein, R. W. Cavalleri, A. BE Tanaka, K Ogawa, T Hashimoto, H Koshihara, S TI Time-resolved Studies of Phase Transition Dynamics in Strongly Correlated Manganites SO LXIII YAMADA CONFERENCE ON PHOTO-INDUCED PHASE TRANSITION AND COOPERATIVE PHENOMENA (PIPT3) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 63rd Yamada Conference on Photo-Induced Phase Transition and Cooperative Phenomena (PIPT3) CY NOV 11-15, 2008 CL Osaka, JAPAN AB Ultrafast light pulses can be used to control electronic, magnetic and structural phases of complex solids. Here, we investigate the dynamics of insulator-metal phase transitions in colossal magnetoresistive (CMR) manganites by a combination of femtosecond visible-to-midinfrared pump-probe techniques and transport measurements. We show that an insulator-metal transition can be stimulated in CMR manganites by both above bandgap excitation and selective excitation of individual vibrational degrees of freedom. These two approaches rely on the ultrafast manipulation of parameters controlling the electronic filling and the electronic bandwidth respectively, extending the concepts of filling and bandwidth control to the ultrafast timescale. The ultrafast vibrational control of correlated-electron phases may provide new insights into the role played by lattice vibrations in determining the electronic properties of complex solids. C1 [Rini, M.; Zhu, Y.; Schoenlein, R. W.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Tobey, R.; Dean, N.; Wall, S.; Ehrke, H.; Zhu, Y.] Univ Oxford, Clarendon Lab, Dept Phys, Oxford OX1 2JD, England. [Tomioka, Y.; Tokura, Y.] AIST, Correlated Elect Res Ctr, Tsukuba, Ibaraki, Japan. [Cavalleri, A.] Univ Hamburg, Dept Phys, Max Planck Grp Structural Dynam, Ctr Free Elect Laser Sci, Hamburg, Germany. RP Rini, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM mrini@lbl.gov RI Schoenlein, Robert/D-1301-2014; OI Schoenlein, Robert/0000-0002-6066-7566; Dean, Nicky/0000-0002-4219-8807 FU Department of Energy at Lawrence Berkeley National Laboratory [DE-AC02-05CH11231] FX This work was supported by the Department of Energy under Contract No. DE-AC02-05CH11231 at Lawrence Berkeley National Laboratory. NR 7 TC 4 Z9 4 U1 0 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2009 VL 148 AR 012013 DI 10.1088/1742-6596/148/1/012013 PG 4 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA BLE15 UT WOS:000269997600013 ER PT S AU Talbayev, D LaForge, AD Hur, N Kimura, T Trugman, SA Balatsky, AV Basov, DN Taylor, AJ Averitt, RD AF Talbayev, D. LaForge, A. D. Hur, N. Kimura, T. Trugman, S. A. Balatsky, A. V. Basov, D. N. Taylor, A. J. Averitt, R. D. BE Tanaka, K Ogawa, T Hashimoto, H Koshihara, S TI Dynamic investigations of multiferroics: terahertz and beyond SO LXIII YAMADA CONFERENCE ON PHOTO-INDUCED PHASE TRANSITION AND COOPERATIVE PHENOMENA (PIPT3) SE Journal of Physics Conference Series LA English DT Proceedings Paper CT 63rd Yamada Conference on Photo-Induced Phase Transition and Cooperative Phenomena (PIPT3) CY NOV 11-15, 2008 CL Osaka, JAPAN ID MAGNETIC-FIELDS; ELECTRIC-FIELD; (BA1-XSRX)2ZN2FE12O22; POLARIZATION AB We overview our recent studies of the electrodynamic response of multiferroic compounds. We report results of magnetic dynamics in multiferroic hexagonal manganite HoMnO3 by far-infrared spectroscopy in a magnetic field. Our results provide insight into the ferromagnetic nature of the rare-earth/Mn exchange that enables the electric-field control of magnetism in HoMnO3. In the multiferroic Ba0.6Sr1.4Zn2Fe12O22 we have observed a magnetic resonance using time domain pump-probe reflectance spectroscopy revealing the importance of the dynamic magnetoelectric effect which is a modulation of the dielectric tensor by magnetization precession. Our results highlight that magneto-electric dynamics manifest from the far-infrared through the visible and that both time-integrated and time-resolved spectroscopy are important tools in elucidating the microscopic properties of multiferroics. C1 [Talbayev, D.; Trugman, S. A.; Balatsky, A. V.; Taylor, A. J.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, MS K771, Los Alamos, NM 87544 USA. RP Talbayev, D (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, MS K771, POB 1663, Los Alamos, NM 87544 USA. EM raveritt@physics.bu.edu OI Trugman, Stuart/0000-0002-6688-7228 NR 31 TC 0 Z9 0 U1 0 U2 9 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2009 VL 148 AR 012037 DI 10.1088/1742-6596/148/1/012037 PG 5 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA BLE15 UT WOS:000269997600037 ER PT J AU Crisci, A Hay, DNT Seifert, S Firestone, MA AF Crisci, Anthony Hay, Daniel N. T. Seifert, Soenke Firestone, Millicent A. TI pH- and Ionic-Strength-Induced Structural Changes in Poly(acrylic acid)-Lipid-Based Self-Assembled Materials SO MACROMOLECULAR SYMPOSIA LA English DT Proceedings Paper CT 48th Microsymposium on Polymer Colloids - From Design to Biomedical and Industrial Applications CY JUL 20-24, 2008 CL Prague, CZECH REPUBLIC DE poly(acrylic acid)-lipid conjugate; polyelectrolytes; self-assembly; small-angle X-ray scattering (SAXS) ID TRIBLOCK COPOLYMERS; LIPID-BILAYERS; ACID); COMPLEXATION; AMPHIPHILES; MEMBRANES; POLYELECTROLYTE; LIPOSOMES; BEHAVIOR; PHASE AB The effect of a polyanion introduced as a lipid conjugate (poly(acrylic acid)-dimyristoyl-sn-glycero-3-phosphoethanolamine, PAA-DMPE) on the structure of a self-assembled, biomembrane mimetic has been evaluated using synchrotron small-angle X-ray scattering (SAXS). At high grafting density (8-11 mol.%), the PAA chains were found to produce significant changes in structure in response to changes in pH and electrolyte composition. At low pH and in the absence of salt (NaCl), the neutral PAA chains adopt a coil conformational state that leads to the formation of a swollen lamellar structure. Upon the addition of salt at low to intermediate pH values, two lamellar phases, a collapsed and an expanded structure, coexist. Finally, when the polymer is fully ionized (at high pH), the extended conformation of the polymer generates a cubic phase. The results of this study contribute to an understanding of how polyelectrolytes may ultimately be harnessed for the preparation of self-assembling materials responsive to external stimuli. C1 [Crisci, Anthony; Hay, Daniel N. T.; Firestone, Millicent A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Seifert, Soenke] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Firestone, MA (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM firestone@anl.gov NR 25 TC 3 Z9 3 U1 2 U2 7 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1022-1360 J9 MACROMOL SYMP JI Macromol. Symp. PY 2009 VL 281 BP 126 EP 134 DI 10.1002/masy.200950717 PG 9 WC Polymer Science SC Polymer Science GA 483ST UT WOS:000268989100018 ER PT J AU Hickner, MA Tudryn, GJ Alam, TM Hibbs, MR Fujimoto, CH AF Hickner, Michael A. Tudryn, Gregory J. Alam, Todd M. Hibbs, Michael R. Fujimoto, Cy H. TI Polymers with Tethered Anionic and Cationic Groups as Membranes for Fuel Cells SO MACROMOLECULAR SYMPOSIA LA English DT Proceedings Paper CT 42nd World Polymer Congress CY JUN 29-JUL 04, 2008 CL Taipei, TAIWAN SP Int Union Pure & Appl Chem, Polymer Soc DE anion exchange membrane; fuel cell; proton exchange membrane; states of water ID TRANSPORT-PROPERTIES; EXCHANGE MEMBRANES; ELECTROCATALYSTS; PH AB Ionic clustering, water binding, and ion conductivity were studied in polymers functionalized with sulfonic acid and quaternary ammonium hydroxide groups. Small-angle x-ray scattering showed that no clustering occurred in the quaternary ammonium containing anion exchange membranes, while evidence of ionic clusters was present in both sulfonated poly(phenylene) and in Nafion, a poly(perfluorosulfonic acid). interestingly, the water self-diffusion coefficients of the anion exchange membranes were generally greater than those observed for the sulfonated poly(phenylene)s, and moreover, the water self diffusion coefficients in anion exchange membranes were not a strong function of diffusion time. The water binding behavior lead to increased normalized conductivity in anion exchange membranes as compared to proton exchange membranes at the highest ion exchange capacities. C1 [Hickner, Michael A.; Tudryn, Gregory J.] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA. [Alam, Todd M.; Hibbs, Michael R.; Fujimoto, Cy H.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Hickner, MA (reprint author), Penn State Univ, Dept Mat Sci & Engn, 310 Steidle Bldg, University Pk, PA 16802 USA. EM hickner@matse.psu.edu NR 12 TC 9 Z9 9 U1 1 U2 9 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1022-1360 J9 MACROMOL SYMP JI Macromol. Symp. PY 2009 VL 279 BP 59 EP 62 DI 10.1002/masy.200950509 PG 4 WC Polymer Science SC Polymer Science GA 463XM UT WOS:000267467400011 ER PT J AU Porcar, L Liu, Y Hong, KL Butler, PD Huang, EW Chen, WR AF Porcar, Lionel Liu, Yun Hong, Kunlun Butler, Paul D. Huang, E-Wen Chen, Wei-Ren TI Counterion Association and Structural Conformation Change of Charged PAMAM Dendrimer in Aqueous Solutions Revealed by Small Angle Neutron Scattering SO MACROMOLECULAR SYMPOSIA LA English DT Proceedings Paper CT 42nd World Polymer Congress CY JUN 29-JUL 04, 2008 CL Taipei, TAIWAN SP Int Union Pure & Appl Chem, Polymer Soc DE counterion; ornstein-zernike equation; polyamidoamine dendrimers; small angle neutron scattering AB Our previous study of the structure change of poly(amidoamine) starburst dendrimers (PAMAM) dendrimer of generation 5 (G5) have demonstrated that although the overall molecular size is practically unaffected by increasing DCl concentration, a configurational transformation, from a diffusive density profile to a more uniform density distribution, is clearly observed. in the current paper, the focus is placed on understanding the effect of counterion identity on the intermolecular structure and the conformational properties by studying the effect due to DBr using small angle neutron scattering (SANS) and integral equation theory. While the overall molecular size is found to be essentially unaffected by the change in the pD of solutions, it is surprising that the intra-molecular configurational transformation is not observed when DBr is used. The overall effective charge of a dendrimer is nearly the same for alpha < 1, independent of the type of acids. However, when alpha > 1, the effect of counterion identity becomes significant, the effective charge carried by a charged G5 PAPAM protonated by DBr becomes smaller than that of solutions with DCl. As a consequence, a counterion identity dependence of counterion association is revealed: Under the same level of molecular protonation, the specific counterion association, which is defined as the ratio of bound chloride anions to positively charged amines per molecule, is larger for the G5 PAMAM dendrimer charged by DBr than the one by DCl. C1 [Chen, Wei-Ren] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Spallat Neutron Source, Oak Ridge, TN 37831 USA. [Porcar, Lionel] Inst Max Von Laue Paul Langevin, F-38042 Grenoble 9, France. [Liu, Yun] NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. [Liu, Yun; Butler, Paul D.] Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA. [Hong, Kunlun] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Huang, E-Wen] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Chen, WR (reprint author), Oak Ridge Natl Lab, Neutron Scattering Sci Div, Spallat Neutron Source, Oak Ridge, TN 37831 USA. EM chenw@ornl.gov RI Liu, Yun/A-2478-2010; Butler, Paul/D-7368-2011; Liu, Yun/F-6516-2012; Huang, E-Wen/A-5717-2015; Hong, Kunlun/E-9787-2015 OI Liu, Yun/0000-0002-0944-3153; Liu, Yun/0000-0002-0944-3153; Huang, E-Wen/0000-0003-4986-0661; Hong, Kunlun/0000-0002-2852-5111 NR 13 TC 2 Z9 2 U1 1 U2 8 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1022-1360 J9 MACROMOL SYMP JI Macromol. Symp. PY 2009 VL 279 BP 65 EP 71 DI 10.1002/masy.200950511 PG 7 WC Polymer Science SC Polymer Science GA 463XM UT WOS:000267467400013 ER PT S AU Das, S Dubreuil, A Bushi, L Tharumarajah, A AF Das, Sujit Dubreuil, Alain Bushi, Lindita Tharumarajah, Ambalavanar BE Nyberg, EA Agnew, SR Neelameggham, MR Pekguleryuz, MO TI A Life Cycle Assessment of a Magnesium Automotive Front End SO MAGNESIUM TECHNOLOGY 2009 SE Magnesium Technology Series LA English DT Proceedings Paper CT Magnesium Technology Symposium 2009 CY FEB 15-19, 2009 CL San Francisco, CA DE magnesium; life cycle; energy; emissions AB This paper focuses on a life cycle assessment (LCA) that compares a magnesium automotive front end for a 2007 GM-Cadillac CST with the standard steel-based design. The analysis framework is based on the consequential life cycle assessment approach, using extensive life cycle inventory data collected for various magnesium manufacturing technologies, including primary production, cast and wrought, and end-of-life. Recent magnesium market trends have been captured with the consideration of primary magnesium production in China and parts manufacturing in North America (NA). The comparative life cycle assessment includes energy and greenhouse gas (GHG) and select other emissions. It is estimated that the magnesium front end achieves reductions in energy and GHG in relation to the base line scenario only after several years of vehicle operation. Sustainable material management and technology improvements, including recycling, would further enhance the environmental benefit of magnesium use in automobiles. C1 [Das, Sujit] Oak Ridge Natl Lab, Knoxville, TN USA. RP Das, S (reprint author), Oak Ridge Natl Lab, 2360 Cherahala Blvd, Knoxville, TN USA. NR 16 TC 1 Z9 1 U1 1 U2 8 PU MINERALS, METALS & MATERIALS SOC PI WARRENDALE PA 184 THORN HILL RD, WARRENDALE, PA 15086-7514 USA SN 1545-4150 BN 978-0-87339-730-8 J9 MAGNESIUM TECHNOLOGY PY 2009 BP 179 EP 184 PG 6 WC Metallurgy & Metallurgical Engineering; Mineralogy SC Metallurgy & Metallurgical Engineering; Mineralogy GA BIZ82 UT WOS:000264051500033 ER PT B AU Weinberger, P AF Weinberger, Peter BA Weinberger, P BF Weinberger, P TI Magnetic Anisotropies in Nanostructured Matter Introduction SO MAGNETIC ANISOTROPIES IN NANOSTRUCTURED MATTER SE Condensed Matter Physics-CRC LA English DT Editorial Material; Book Chapter AB In here the key words in the title of the book, namely nanostructured matter and magnetic anisotropies, are critically examined and defined. C1 [Weinberger, Peter] Vienna Inst Technol, Vienna, Austria. [Weinberger, Peter] Los Alamos Natl Lab, Los Alamos, NM USA. [Weinberger, Peter] Lawrence Livermore Natl Lab, Livermore, CA USA. [Weinberger, Peter] Ctr Computat Mat Sci, Vienna, Austria. [Weinberger, Peter] Univ Bristol, HH Wills Phys Lab, Bristol BS8 1TH, Avon, England. [Weinberger, Peter] ETH, Festkorperphys Lab, Zurich, Switzerland. [Weinberger, Peter] NYU, Dept Phys, New York, NY 10003 USA. [Weinberger, Peter] Univ Paris 11, Phys Solides Lab, Paris, France. RP Weinberger, P (reprint author), Ctr Computat Nanosci Vienna, Vienna, Austria. NR 6 TC 18 Z9 18 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-7265-5 J9 CONDENS MATT PHY-CRC PY 2009 BP 1 EP 7 PG 7 WC Physics, Condensed Matter SC Physics GA BKD67 UT WOS:000267838600001 ER PT S AU Tsvyashchenko, AV Sidorov, VA Fomicheva, LN Thompson, JD Ronning, F Ponomarev, AN AF Tsvyashchenko, A. V. Sidorov, V. A. Fomicheva, L. N. Thompson, J. D. Ronning, F. Ponomarev, A. N. BE Perov, N TI Magnetic, Thermal and Transport Properties of High-Pressure Synthesized Nanocrystalline EuC6 SO MAGNETISM AND MAGNETIC MATERIALS SE Solid State Phenomena LA English DT Proceedings Paper CT 4th Moscow International Symposium on Magnetism CY JUN 20-25, 2008 CL Moscow State Univ, Moscow, RUSSIA HO Moscow State Univ DE europium carbon; high pressure synthesis; nanomaterial ID INTERCALATED GRAPHITE; C6EU AB Bulk nanocrystalline EuC6 was prepared by the route of high pressure and high temperature synthesis. The material exhibits ferromagnetic behavior at low temperature. Its magnetic moment saturates at 2 K and 6 T to a value mu(s) similar to 0.64 mu(B)/f.u. The magnetic susceptbility obeys the Curie-Weiss law above similar to 60 K and the value of paramagnetic moment and Curie-Weiss temperature were found to be mu(eff) = 2.48 mu(B) and theta(p) = +12.5 K, respectively. Magnetic measurements show that europium atoms in the pressure synthesized EuC6 are not in a purely Eu+2 state but rather in a mixed-valence state. C1 [Tsvyashchenko, A. V.; Sidorov, V. A.; Fomicheva, L. N.] Vereshchagin Inst High Pressure Phys RAS, Troitsk 142190, Russia. [Sidorov, V. A.; Thompson, J. D.; Ronning, F.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Ponomarev, A. N.] Sci Tech Ctr Appl Nanotech, St Petersburg 198020, Russia. RP Tsvyashchenko, AV (reprint author), Vereshchagin Inst High Pressure Phys RAS, Troitsk 142190, Russia. EM tsvyash@hppi.troitsk.ru; vs_hppi@mail.ru; jdt@lanl.gov; fronning@lanl.gov FU Russian Foundation for Basic Research [07-02-00280] FX This work was supported by the Russian Foundation for Basic Research (Grant 07-02-00280). Work at Los Alamos National Laboratory was performed under the auspices of the US DOE/Office of Science. NR 7 TC 0 Z9 0 U1 0 U2 0 PU TRANS TECH PUBLICATIONS LTD PI DURNTEN-ZURICH PA KREUZSTRASSE 10, 8635 DURNTEN-ZURICH, SWITZERLAND SN 1012-0394 J9 SOLID STATE PHENOMEN PY 2009 VL 152-153 BP 229 EP + PG 2 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA BLR82 UT WOS:000270899200055 ER PT S AU Ari-Gur, P Kimmel, G Richardson, JW Huq, A Sharma, K AF Ari-Gur, Pnina Kimmel, Giora Richardson, James W. Huq, Ashfia Sharma, Kapil BE Perov, N TI Effect of Heat-Treatment on the Phases of Ni-Mn-Ga Magnetic Shape Memory Alloys SO MAGNETISM AND MAGNETIC MATERIALS SE Solid State Phenomena LA English DT Proceedings Paper CT 4th Moscow International Symposium on Magnetism CY JUN 20-25, 2008 CL Moscow State Univ, Moscow, RUSSIA HO Moscow State Univ DE Heusler structure; magnetic shape-memory; neutron diffraction; Ni-Mn-Ga ID HEUSLER ALLOYS; TRANSITIONS AB The Heusler alloys Ni50Mn25+xGa25-x display magnetic shape memory effect (MSM) with very fast and large reversible strain under magnetic fields. This large strain and the speed of reaction make MSM alloys attractive as smart materials. Our crystallographic investigation of these alloys, focused on non-stoichiometric composition with excess of manganese. Using neutron diffraction, we revealed the necessary processing parameters to achieve and preserve the homogeneous metastable one-phase martensitic structure that is needed for an MSM effect at room temperature. C1 [Ari-Gur, Pnina] Western Michigan Univ, Mech & Aeronaut Engn, Kalamazoo, MI 49008 USA. [Kimmel, Giora] Ben Gurion Univ Negev, Inst Appl Res, IL-84105 Beer Sheva, Israel. [Richardson, James W.] Argonne Natl Lab, Intense Pulsed Neutron Source, Argonne, IL 60439 USA. [Huq, Ashfia] Neutron Scatter Sci Div, Spallation Neutron Source, Oak Ridge, TN 37831 USA. [Sharma, Kapil] Indian Inst Technol, Mat & Met Engn, Kanpur 208016, Uttar Pradesh, India. RP Ari-Gur, P (reprint author), Western Michigan Univ, Mech & Aeronaut Engn, Kalamazoo, MI 49008 USA. EM pnina.ari-gur@wmich.edu; kimmel@bgu.ac.il; huqa@ornl.gov; kapil@iitk.ac.in NR 15 TC 0 Z9 0 U1 0 U2 0 PU TRANS TECH PUBLICATIONS LTD PI DURNTEN-ZURICH PA KREUZSTRASSE 10, 8635 DURNTEN-ZURICH, SWITZERLAND SN 1012-0394 J9 SOLID STATE PHENOMEN PY 2009 VL 152-153 BP 497 EP + PG 3 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA BLR82 UT WOS:000270899200119 ER PT S AU Kocharian, AN Fernando, GW Palandage, K Davenport, JW AF Kocharian, A. N. Fernando, G. W. Palandage, K. Davenport, J. W. BE Perov, N TI Charge and spin pairing instabilities in Hubbard nanoclusters SO MAGNETISM AND MAGNETIC MATERIALS SE Solid State Phenomena LA English DT Proceedings Paper CT 4th Moscow International Symposium on Magnetism CY JUN 20-25, 2008 CL Moscow State Univ, Moscow, RUSSIA HO Moscow State Univ DE high T-C superconductivity; charge and spin pairing; phase diagram; ferromagnetism; spin-charge separation; charge and spin pseudogaps; electronic phase separation ID SEPARATION; STATE AB Electron coherent and incoherent pairings and other types of correlations are studied exactly for the ensemble of small clusters with different geometries under variation of interaction strength, electron doping and temperature. Charge and spin collective excitations yield intriguing insights into level crossing degeneracies, phase separation and condensation. Criteria for spin-charge separation and recombination driven by interaction strength and temperature are found. Phase diagrams resemble a number of inhomogeneous, nanoscale phases and pseudogap regions seen recently in high T-C cuprates, manganites, multiferroics and CMR nanomaterials. C1 [Kocharian, A. N.] Calif State Univ Los Angeles, Dept Phys, Los Angeles, CA 90032 USA. [Fernando, G. W.; Palandage, K.] Univ Connecticut, Dept Phys, Storrs, CT 06269 USA. [Davenport, J. W.] Brookhaven Natl Lab, Computat Sci Ctr, Upton, NY 11973 USA. RP Kocharian, AN (reprint author), Calif State Univ Los Angeles, Dept Phys, Los Angeles, CA 90032 USA. EM armen.kocharian@calstatela.edu NR 12 TC 1 Z9 1 U1 2 U2 2 PU TRANS TECH PUBLICATIONS LTD PI DURNTEN-ZURICH PA KREUZSTRASSE 10, 8635 DURNTEN-ZURICH, SWITZERLAND SN 1012-0394 J9 SOLID STATE PHENOMEN PY 2009 VL 152-153 BP 583 EP + PG 2 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA BLR82 UT WOS:000270899200138 ER PT J AU Pailloux, S Duesler, EN Smith, KA Paine, RT Klaehn, JR McIlwain, ME AF Pailloux, Sylvie Duesler, Eileen N. Smith, Karen Ann Paine, Robert T. Klaehn, John R. McIlwain, Michael E. TI Direct synthesis of trifluoromethyl decorated diphenylphosphites. Unusual non-bonded structural features in bis-[(2-trifluoromethyl)phenylphosphite: [2-(CF3)C6H4](2)P(O)H] SO MAIN GROUP CHEMISTRY LA English DT Article DE trifluoromethyl group; diphenylphosphite; Grignard reagent; X-ray crystal structures; non-bonded phosphorus-fluorine interactions ID SECONDARY PHOSPHINE OXIDES; COMPLEXES; ACID; LIGANDS; DIPHOSPHOXANE; DERIVATIVES; CHEMISTRY; BEHAVIOR AB A direct, Grignard reagent-based route for the syntheses of [2-(CF3)C6H4](2)P(O)H (1) and [3,5-(CF3)(2)C6H3](2)P(O)H (2) has been developed and the isolation and characterization of these crystalline reagents is described. The crystal structures for 1 and 2 were determined and the structure of 1 reveals unexpected close non-bonded interaction between F-atoms of one CF3 group and the back-side of the central phosphorus atom. C1 [Pailloux, Sylvie; Duesler, Eileen N.; Smith, Karen Ann; Paine, Robert T.] Univ New Mexico, Dept Chem, Albuquerque, NM 87131 USA. [Klaehn, John R.; McIlwain, Michael E.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Paine, RT (reprint author), Univ New Mexico, Dept Chem, Albuquerque, NM 87131 USA. EM rtpaine@unm.edu RI Klaehn, John/C-6011-2017; OI Klaehn, John/0000-0002-7077-4509; Pailloux, Sylvie/0000-0001-7318-7089 FU US Department of Energy; Chemical Sciences; Geosciences and Biosciences Office; Office of Basic Energy Sciences [DE-FG02-03ER 15419] FX The authors thank the US Department of Energy, Chemical Sciences, Geosciences and Biosciences Office, Office of Basic Energy Sciences (Grant DE-FG02-03ER 15419) for financial support of this work. NR 28 TC 3 Z9 3 U1 0 U2 5 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1024-1221 J9 MAIN GROUP CHEM JI Main Group Chem. PY 2009 VL 8 IS 3 BP 207 EP 220 DI 10.1080/10241220903177071 PG 14 WC Chemistry, Multidisciplinary SC Chemistry GA 498HK UT WOS:000270127900005 ER PT B AU Christensen, RM AF Christensen, Richard M. BE Daniel, IM Gdoutos, EE Rajapakse, YDS TI A Physically Based Cumulative Damage Formalism SO MAJOR ACCOMPLISHMENTS IN COMPOSITE MATERIALS AND SANDWICH STRUCTURES: AN ANTHOLOGY ONR SPONSORED RESEARCH LA English DT Article; Book Chapter ID KINETIC CRACK-GROWTH AB A general cumulative damage methodology is derived from the basic relation specifying crack growth rate (increment) as a power law function of the stress intensity factor. The crack is allowed to grow up to the point at which it becomes unstable, thereby determining the lifetime of the material under the prescribed stress program. The formalism applies for the case of creep to failure under variable stress history as well as for cyclic fatigue to failure under variable stress amplitude history. The formulation is calibrated by the creep rupture lifetimes at constant stress or the fatigue cycle lifetimes at constant stress amplitude. No empirical (non-physical) parameters are involved in the basic formulation; everything is specified in terms of experimentally determined quantities. Several examples are given showing the inadequacy of Linear Cumulative Damage while the present nonlinear damage accumulation method overcomes these deficiencies. The present method is extended to admit probabilistic conditions. C1 [Christensen, Richard M.] Stanford Univ, Stanford, CA 94305 USA. [Christensen, Richard M.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Christensen, RM (reprint author), Stanford Univ, Stanford, CA 94305 USA. EM christensen@stanford.edu NR 15 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-90-481-3140-2 PY 2009 BP 51 EP 65 DI 10.1007/978-90-481-3141-9_3 PG 15 WC Engineering, Multidisciplinary; Mechanics; Materials Science, Composites; Physics, Applied SC Engineering; Mechanics; Materials Science; Physics GA BME37 UT WOS:000272000500003 ER PT J AU Glenn, JLW Civitello, DJ Lance, SL AF Glenn, Julie L. Weston Civitello, David J. Lance, Stacey L. TI Multiple paternity and kinship in the gray fox (Urocyon cinereoargenteus) SO MAMMALIAN BIOLOGY LA English DT Article DE Gray fox; Kinship; Multiple paternity; Social organization; Urocyon cinereoargenteus ID SOCIAL-ORGANIZATION; VULPES-VELOX; RED FOX; POPULATION; PRIMERS; SIZE AB Despite mounting evidence that extra-pair copulations (EPCs) are common in the Canidae, no studies have examined the most basal member of this family, the gray fox (Urocyon cinereoargenteus). In this study we explored the possibility that gray foxes may be socially, but not genetically.. monogamous. Multiple paternity was confirmed in one litter and suspected in three others (n = 7), thus 14.3-57.1% of all litters had more than one father. In this high-density population, multiple paternity may be one strategy to reduce inbreeding, although only one pair was significantly related to each other (r = 0.36). Mother-daughter pairs were more common than father son pairs. These results coupled with a previous study showing a female-biased sex ratio Suggest male-biased dispersal and the potential for helper females. (C) 2008 Deutsche Gesellschaft fur Saugetierkunde. Published by Elsevier GmbH. All rights reserved. C1 [Glenn, Julie L. Weston; Lance, Stacey L.] Savannah River Ecol Lab, Aiken, SC 29802 USA. [Civitello, David J.; Lance, Stacey L.] Colby Coll, Dept Biol, Waterville, ME 04901 USA. RP Glenn, JLW (reprint author), 115 Southland Dr, Watkinsville, GA 30677 USA. EM mammalogist@yahoo.com RI Civitello, David/A-5422-2010; Lance, Stacey/K-9203-2013 OI Lance, Stacey/0000-0003-2686-1733 FU Savannah River Ecology Laboratory [DE-FC09-07SR22506]; US Department of Energy to the University of Georgia Research Foundation; INBRE [P20 RR-016463] FX Financial and logistical assistance was provided by the Savannah River Ecology Laboratory through Contract DE-FC09-07SR22506 from the US Department of Energy to the University of Georgia Research Foundation, as well its by the Colby College Department of Biology, the Dean of Faculty Student Special Projects Award, and INBRE Grant #P20 RR-016463. We thank J. Guay for technical assistance, Drs. Judy Stone and Cathy Bevier for manuscript review, Dr. I. Lehr Brisbin, Jr. for sampling assistance, Cris Hagen and Dr. Olga Tsyusko for sequencing clones and running reactions, and Dr. Travis Glenn at the Savannah River Ecology Laboratory for advice and technical support. NR 42 TC 3 Z9 3 U1 6 U2 24 PU ELSEVIER GMBH, URBAN & FISCHER VERLAG PI JENA PA OFFICE JENA, P O BOX 100537, 07705 JENA, GERMANY SN 1616-5047 J9 MAMM BIOL JI Mamm. Biol. PY 2009 VL 74 IS 5 BP 394 EP 402 DI 10.1016/j.mambio.2008.10.003 PG 9 WC Zoology SC Zoology GA 484JW UT WOS:000269041600007 ER PT S AU Formisano, V Angrilli, F Arnold, G Atreya, S Bianchini, G Biondi, D Blecka, MI Coradini, A Colangeli, L Cottini, V Ekonomov, A Encrenaz, T Esposito, F Fiorenza, C Fonti, S Giuranna, M Grassi, D Gnedykh, V Grigoriev, A Hansen, G Hirsh, H Khatuntsev, I Ignatiev, N Jurewicz, A Lellouch, E Moreno, JL Mattana, A Maturilli, A Michalska, M Moshkin, B Nespoli, F Orfei, R Orleanski, P Palomba, E Patsaev, D Piccioni, G Rataj, M Rodrigo, R Rodriguez, J Rossi, M Saggin, B Titov, D Zasova, L AF Formisano, V. Angrilli, F. Arnold, G. Atreya, S. Bianchini, G. Biondi, D. Blecka, M. I. Coradini, A. Colangeli, L. Cottini, V. Ekonomov, A. Encrenaz, T. Esposito, F. Fiorenza, C. Fonti, S. Giuranna, M. Grassi, D. Gnedykh, V. Grigoriev, A. Hansen, G. Hirsh, H. Khatuntsev, I. Ignatiev, N. Jurewicz, A. Lellouch, E. Lopez Moreno, J. Mattana, A. Maturilli, A. Michalska, M. Moshkin, B. Nespoli, F. Orfei, R. Orleanski, P. Palomba, E. Patsaev, D. Piccioni, G. Rataj, M. Rodrigo, R. Rodriguez, J. Rossi, M. Saggin, B. Titov, D. Zasova, L. GP esa TI PFS: Planetary Fourier Spectrometer SO MARS EXPRESS: THE SCIENTIFIC INVESTIGATIONS SE ESA Special Publications LA English DT Article; Book Chapter ID MARS EXPRESS MISSION; MARTIAN ATMOSPHERE; WAVELENGTH CHANNEL; DUST; SPECTROSCOPY; CALIBRATION; ULTRAVIOLET; SPECTRUM; AEROSOLS; SURFACE AB This chapter reviews the first year of results from the Planetary Fourier Spectrometer (PFS) of Mars Express. An average global spectrum ranging from 200 cm(-1) to 8200 cm(-1) is compared with the martian spectrum from the Short Wavelength Spectrometer of the Infrared Space Observatory (ISO), and with the global synthetic spectrum computed using only the gases CO(2), CO and H(2)O. PFS is able to measure the vertical temperature-pressure profile in the atmosphere and the temperature of the soil simultaneously with the dust and water-ice opacity. The short-wavelength channel shows the major CO(2) bands at 4.3 mu m and 2.7 mu m. The bottom of the first band shows very clearly the non-local thermodynamic equilibrium emission of the high atmospheric CO(2) gas, while the limb measurements show CO emission. All the isotopic CO(2) molecules appear to he emitting at the same radiance level, implying strong energy pumping from the most abundant to the less abundant molecules. In one of the first passes over Olympus Mons, the temperature field shows abnormal adiabatic cooling in the atmosphere above the mountain, while the soil temperature of the volcano is higher than the latitudinal profile expectation because of illumination from the Sun. The descending branch of the Hadley cell circulation is studied in detail, with its adiabatic heating and formation of water-ice clouds. Of the many unidentified lines observed, a few have been studied and the presence of methane (10 ppbv), HF (200 ppbv) and HBr (150 ppbv) is reported here. PFS has allowed the study of the composition of the permanent south polar cap: an intimate mixture model of Mostly CO(2) ice, ppm of water ice and some dust fits the data very well. Almost pure water-ice and CO(2)-ice spectra have been observed in specific locations. Finally, many solar lines are being observed; a few are being studied and compared with ISO observations and the solar spectrum assembled for PFS. In certain spectral regions, Mars looks like a Lambertian screen, reflecting an almost unperturbed solar spectrum. C1 [Formisano, V.; Biondi, D.; Coradini, A.; Cottini, V.; Fiorenza, C.; Giuranna, M.; Grassi, D.; Ignatiev, N.; Mattana, A.; Maturilli, A.; Nespoli, F.; Orfei, R.; Rossi, M.; Zasova, L.] IFSI, INAF, Ist Fis Spazio Interplanetario, I-00133 Rome, Italy. [Angrilli, F.; Bianchini, G.] Univ Padua, CISAS, I-35131 Padua, Italy. [Arnold, G.] German Aerosp Ctr DLR, D-12489 Berlin, Germany. [Atreya, S.] Univ Michigan, Dept Atmospher Ocean & Space Sci, Ann Arbor, MI 48109 USA. [Fonti, S.] Univ Lecce, Dipartimento Fis, I-73100 Lecce, Italy. [Blecka, M. I.; Jurewicz, A.; Michalska, M.; Orleanski, P.; Rataj, M.] Polish Acad Sci, Space Res Ctr, PL-00716 Warsaw, Poland. [Colangeli, L.; Esposito, F.; Palomba, E.] Osserv Astron Capodimonte, INAF, I-80131 Naples, Italy. [Ekonomov, A.; Gnedykh, V.; Grigoriev, A.; Khatuntsev, I.; Ignatiev, N.; Moshkin, B.; Patsaev, D.; Titov, D.; Zasova, L.] Russian Acad Sci IKI, Space Res Inst, Moscow 117997, Russia. [Encrenaz, T.; Hirsh, H.; Lellouch, E.] Observ Paris, LESIA, F-92195 Meudon, France. [Hansen, G.] Planetary Sci Inst, Pacific NW Div, Dept Earth & Space Sci, Seattle, WA 98195 USA. [Lopez Moreno, J.; Rodrigo, R.; Rodriguez, J.] CSIC, Inst Astrofis Andalucia, E-18080 Granada, Spain. [Piccioni, G.] IASF, INAF, Ist Astrofis Spaziale, I-00133 Rome, Italy. [Saggin, B.] Politecn Milan, Fac Ing Meccan Lecco, I-23900 Lecce, Italy. RP Formisano, V (reprint author), IFSI, INAF, Ist Fis Spazio Interplanetario, Via Fosso del Cavaliere 100, I-00133 Rome, Italy. EM formisan@nike.ifsi.rm.cnr.it RI Khatuntsev, Igor/B-4248-2015; OI Biondi, David/0000-0002-8860-5674; Khatuntsev, Igor/0000-0002-3256-122X; GIURANNA, Marco/0000-0001-8967-9184; Lopez-Moreno, Jose Juan/0000-0002-7946-2624; Piccioni, Giuseppe/0000-0002-7893-6808; saggin, bortolino/0000-0002-4033-3585; Palomba, Ernesto/0000-0002-9101-6774 NR 28 TC 2 Z9 2 U1 1 U2 4 PU ESA PUBLICATIONS DIVISION C/O ESTEC PI 2200 AG NOORDWIJK PA PO BOX 299, 2200 AG NOORDWIJK, NETHERLANDS SN 0379-6566 BN 978-92-9221-975-8 J9 ESA SPEC PUBL PY 2009 BP 115 EP 137 PG 23 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BKX38 UT WOS:000269524400005 ER PT J AU Ciobanu, CV Wang, CZ Ho, KM AF Ciobanu, C. V. Wang, Cai-Zhuang Ho, Kai-Ming TI Global Optimization of 2-Dimensional Nanoscale Structures: A Brief Review SO MATERIALS AND MANUFACTURING PROCESSES LA English DT Article; Proceedings Paper CT 2nd International Conference on Neural Network and Genetic Algorithms in Materials Science and Engineering CY 2008 CL Calcutta, INDIA SP TATA Stell, MN Dastur & Co DE Genetic algorithms; Germanium; Global optimization; Nanowires; Replica-exchange Monte-Carlo; Silicon; Surface reconstructions ID SI(5 5 12); SILICON NANOWIRES; GENETIC ALGORITHM; ATOMIC-STRUCTURE; MONTE-CARLO; SURFACES; CLUSTERS; SYSTEMS; ENERGY; SIMULATION AB In the cluster structure community, global optimization methods are common tools for arriving at the atomic structure of molecular and atomic clusters. The large number of local minima of the potential energy surface (PES) of these clusters, and the fact that these local minima proliferate exponentially with the number of atoms in the cluster simply demands the use of fast stochastic methods to find the optimum atomic configuration. Therefore, most of the development work has come from (and mostly stayed within) the cluster structure community. Partly due to wide availability and landmark successes of scanning tunneling microscopy (STM) and other high resolution microscopy techniques, finding the structure of periodically reconstructed semiconductor surfaces was not posed as a problem of stochastic optimization until recently, when it was shown that high-index semiconductor surfaces can posses a rather large number of local minima with such low surface energies that the identification of the global minimum becomes problematic. We have therefore set out to develop global optimization methods for systems other than clusters, focusing on periodic systems in two dimensions (2-D) as such systems currently occupy a central place in the field of nanoscience. In this article, we review some of our recent theoretical work on finding the atomic structure of surfaces, with emphasis the global optimization methods. While focused mainly on atomic structure, our account will show examples of how these development efforts contributed to elucidating several physical problems, and we will attempt to make a case for widespread use of these methods for structural problems in one and two dimensions. C1 [Ciobanu, C. V.] Colorado Sch Mines, Div Engn, Golden, CO 80401 USA. [Wang, Cai-Zhuang; Ho, Kai-Ming] Iowa State Univ, US DOE, Ames Lab, Ames, IA USA. [Wang, Cai-Zhuang; Ho, Kai-Ming] Iowa State Univ, Dept Phys, Ames, IA USA. RP Ciobanu, CV (reprint author), Colorado Sch Mines, Div Engn, Golden, CO 80401 USA. EM cciobanu@mines.edu RI Ciobanu, Cristian/B-3580-2009 NR 62 TC 6 Z9 6 U1 4 U2 19 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 1042-6914 J9 MATER MANUF PROCESS JI Mater. Manuf. Process. PY 2009 VL 24 IS 2 BP 109 EP 118 AR PII 907943281 DI 10.1080/10426910802609094 PG 10 WC Engineering, Manufacturing; Materials Science, Multidisciplinary SC Engineering; Materials Science GA 395HK UT WOS:000262515000002 ER PT J AU Davies, TEB Mehta, DP Rodriguez-Lopez, JL Gilmer, GH Ciobanu, CV AF Davies, T. E. B. Mehta, D. P. Rodriguez-Lopez, J. L. Gilmer, G. H. Ciobanu, C. V. TI A Variable-Number Genetic Algorithm for Growth of 1-Dimensional Nanostructures into Their Global Minimum Configuration Under Radial Confinement SO MATERIALS AND MANUFACTURING PROCESSES LA English DT Article DE Carbon nanotubes; Genetic algorithms; Global optimization; Lennard-Jones; Nanowires ID SILICON NANOWIRES; OPTIMIZATION; SURFACES; CLUSTERS AB The versatility of genetic algorithms for determining the atomic structure of clusters has been well established starting with the seminal article of Deaven and Ho (Physical Review Letters 75, 288, 1995). The genetic algorithm approach has also been extended to spatially periodic structures where it has been recognized that the variation of the number of atoms enables, or at least facilitates, the convergence of the global structural search. Here, we present another application of genetic algorithms: we show that a real space, variable-number algorithm can be used to retrieve simultaneously the lowest-energy structure and the optimal number of atoms of 1-dimensional (1-D) nanostructures subjected to desired conditions of radial confinement, starting from a single atom in the periodic unit cell. This algorithm is based on two-parent crossover operations and zero-penalty mutations, the latter of which allowing for the algorithm to evolve even from a genetic pool made of identical structures. We show that a sufficiently rich set of crossover operations (attempted with equal probability) can make the procedure effective for finding the atomic structure very different 1-D nanomaterials. We test the algorithm for carbon nanotubes and for Lennard-Jones nanotubes using runs where crossovers are applied either individually or in combination. By analyzing the acceptance probabilities of the structures created in these runs, we discuss the performance of the algorithm and possibilities for improvement. C1 [Davies, T. E. B.; Gilmer, G. H.; Ciobanu, C. V.] Colorado Sch Mines, Div Engn, Golden, CO 80401 USA. [Mehta, D. P.] Colorado Sch Mines, Dept Math & Comp Sci, Golden, CO 80401 USA. [Rodriguez-Lopez, J. L.] Inst Potosino Invest Cient & Tecnol, Adv Mat Dept, San Luis Potosi, Mexico. [Gilmer, G. H.] Lawrence Livermore Natl Lab, Chem Mat & Life Sci Directorate, Livermore, CA USA. RP Ciobanu, CV (reprint author), Colorado Sch Mines, Div Engn, Golden, CO 80401 USA. EM cciobanu@mines.edu RI Ciobanu, Cristian/B-3580-2009; Rodriguez-Lopez, Jose/N-1303-2016 OI Rodriguez-Lopez, Jose/0000-0002-2875-9022 FU National Center for Supercomputing Applications at Urbana [DMR-050031]; Renewable Energy MRSEC; NSF [DMR-0820518]; US-DOE Office of Basic Energy Sciences FX We thank Professor Nirupam Chakraborti ( editor) for the invitation to write this article for the Materials and Manufacturing Processes focus issue on genetic algorithms. We gratefully acknowledge the use of computational resources at the National Center for Supercomputing Applications at Urbana ( Grant No. DMR-050031) and Centro Nacional de Supercomputo at San Luis Potosi, as well as support from the Renewable Energy MRSEC program at Colorado School of Mines (NSF Grant. No. DMR-0820518), and from the US-DOE Office of Basic Energy Sciences. NR 31 TC 5 Z9 5 U1 0 U2 9 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 1042-6914 J9 MATER MANUF PROCESS JI Mater. Manuf. Process. PY 2009 VL 24 IS 3 BP 265 EP 273 AR PII 908834992 DI 10.1080/10426910802678172 PG 9 WC Engineering, Manufacturing; Materials Science, Multidisciplinary SC Engineering; Materials Science GA 410IX UT WOS:000263571800005 ER PT S AU Shinde, SL Bauer, TM Massad, JA Hetherington, D AF Shinde, Subhash L. Bauer, Todd M. Massad, Jordan A. Hetherington, Dale BE Roozeboom, F Bower, C Garrou, P Koyanagi, M Ramm, P TI Front End of Line Through Silicon Via (TSV) Integration SO MATERIALS AND TECHNOLOGIES FOR 3-D INTEGRATION SE Materials Research Society Symposium Proceedings LA English DT Proceedings Paper CT Symposium E on Materials and Technologies for 3-D Integration held at the 2008 MRS Fall Meeting CY DEC 01-03, 2008 CL Boston, MA SP Mat Res Soc ID THIN-FILMS; TIN; AU AB 3D integration enables merging of diverse architectures and also offers considerable technical advantage by combining analog, digital, and other technology functions in a low-volume solution utilizing vertical die or wafer stacking. Some solutions for die and wafer stacking employ layer-to-layer vertical interconnects created after complete wafer fabrication. This vias-last approach requires via fabrication processes to be carried Out at temperatures that are compatible with typical integrated circuit (IC) metal layers. Also, since the vias are formed last they take up space through all the metal layers in the chip, thus impacting the efficient use of semiconductor 'real estate'. In this paper, we address these issues by developing a complete process module for creating front end of line (FEOL) through silicon vias (TSVs). In our approach, vias can be formed as early as the initial steps of FEOL processing and we employ a combination of standard process steps to form high aspect ratio vias, their dielectric isolation deposition of conformal silicon fill, CMP to remove silicon overburden and silicon nitride capping of the vias. Concurrently we have also developed a high fidelity modeling approach to understand the stress distribution in 3D integrated structures. This is very important from device performance as well as TSV layout points of view. We employed a high-fidelity, 3D finite element modeling framework to examine the thermo-mechanical response of 3D IC interconnects. C1 [Shinde, Subhash L.; Bauer, Todd M.; Massad, Jordan A.; Hetherington, Dale] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Shinde, SL (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 10 TC 0 Z9 0 U1 0 U2 2 PU MATERIALS RESEARCH SOCIETY PI WARRENDALE PA 506 KEYSTONE DRIVE, WARRENDALE, PA 15088-7563 USA SN 0272-9172 BN 978-1-60511-084-4 J9 MATER RES SOC SYMP P PY 2009 VL 1112 BP 151 EP 157 PG 7 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary SC Engineering; Materials Science GA BKK38 UT WOS:000268377100015 ER PT J AU Yang, JC Li, ZQ Sun, L Zhou, GW Eastman, JA Fong, DD Fuoss, PH Baldo, PM Rehn, LE Thompson, LJ AF Yang, Judith C. Li, Zhouqun Sun, Li Zhou, Guangwen Eastman, Jeffrey A. Fong, Dillon D. Fuoss, Paul H. Baldo, Pete M. Rehn, Lynn E. Thompson, Loren J. TI Polycrystalline oxides formation during transient oxidation of (001) Cu-Ni binary alloys studied by in situ TEM and XRD SO MATERIALS AT HIGH TEMPERATURES LA English DT Article DE oxidation; copper; nickel; thin film; Cu(2)O; NiO; in situ ultra-high vacuum transmission electron microscope; in situ synchrotron X-ray diffraction ID TRANSMISSION ELECTRON-MICROSCOPY; THIN-FILMS; COPPER; NUCLEATION; KINETICS; CU(001); GROWTH; ISLANDS; SURFACE AB The nucleation and growth of Cu(2)O and NiO islands due to oxidation of Cu(x)Ni(1-x) (001) films were monitored, at various temperatures, by in situ ultra-high vacuum (UHV) transmission electron microscopy (TEM) and in situ synchrotron X-ray diffraction (XRD). In remarkable contrast to our previous observations of Cu and Cu-Au oxidation, irregular-shaped polycrystalline oxide islands formed with respect to the Cu-Ni alloy film, and an unusual second oxide nucleation stage was noted. In situ XRD experiments revealed that NiO formed first epitaxially, then other orientations appeared, and finally polycrystalline Cu(2)O developed as the oxidation pressure was increased. The segregation of Ni and Cu towards or away, respectively, from the alloy surface during oxidation could disrupt the surface and cause polycrystalline oxide formation. C1 [Yang, Judith C.; Li, Zhouqun; Sun, Li] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA. [Zhou, Guangwen] SUNY Binghamton, Dept Mech Engn, Binghamton, NY 13902 USA. [Zhou, Guangwen] SUNY Binghamton, Multidisciplinary Program Mat Sci & Engn, Binghamton, NY 13902 USA. [Eastman, Jeffrey A.; Fong, Dillon D.; Fuoss, Paul H.; Baldo, Pete M.; Rehn, Lynn E.; Thompson, Loren J.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Yang, JC (reprint author), Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA. EM judyyang@pitt.edu RI Eastman, Jeffrey/E-4380-2011; OI Eastman, Jeff/0000-0002-0847-4265 FU National Science Foundation; Department of Energy-Basic Energy Science FX This research program is funded by the National Science Foundation and the Department of Energy-Basic Energy Science. The authors kindly thank M. McDonald, C. van Ormer, and Larry Herman for their assistance. NR 26 TC 3 Z9 3 U1 8 U2 25 PU SCIENCE REVIEWS 2000 LTD PI ST ALBANS PA PO BOX 314, ST ALBANS AL1 4ZG, HERTS, ENGLAND SN 0960-3409 J9 MATER HIGH TEMP JI Mater. High Temp. PY 2009 VL 26 IS 1 BP 1 EP 7 DI 10.3184/096034009X435700 PG 7 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 449XQ UT WOS:000266364500001 ER PT J AU Wright, IG Howe, JY Sabau, AS AF Wright, Ian G. Howe, Jane Y. Sabau, Adrian S. TI Morphological evolution of oxide scales grown on ferritic steels in steam SO MATERIALS AT HIGH TEMPERATURES LA English DT Article DE morphological evolution; oxide scales; ferritic steel; steam boiler AB This study is concerned with the thermally-grown oxide scales formed inside tubes in a steam boiler during normal operation, and the influence of the morphological evolution of those scales on how strains are developed and accommodated. Understanding such details is all important consideration in modeling the tendency for scale spallation or exfoliation. Overall, the scales formed on ferritic steels in steam can be simplistically described as a layer of essentially pure magnetite in contact with the steam, and a second layer of magnetite containing alloying elements (especially Cr) next to the alloy. Hematite also can develop as a third, outermost oxide layer that may be non-uniform in thickness, and penetrate inwards along grain boundaries in the magnetite layer. A peculiar variant of this morphology often reported on low-alloy ferritic steels after boiler service (but not Oil laboratory-oxidized specimens) has a relatively thick outer magnetite layer and multiple 'inner layers' described as decreasing in thickness as the alloy surface is approached. These inner layers appear to be repeating sets of double layers of 'pure' magnetite and magnetite containing alloying elements. The results of detailed examination of such multi-layered morphology and the implications for the mode of scale growth and failure are discussed. C1 [Wright, Ian G.; Howe, Jane Y.; Sabau, Adrian S.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Wright, IG (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM wrightig@ornl.gov RI Sabau, Adrian/B-9571-2008 OI Sabau, Adrian/0000-0003-3088-6474 FU Electric Power Research Institute [EP-P 18842/C9306]; U.S. Department of Energy, Office of Fossil Energy (DOE-FE),; DOE-FE [DE-AC05-00OR22725] FX This research was sponsored in part by the Electric Power Research Institute under a Work for Others program (agreement No. EP-P 18842/C9306) with the U.S. Department of Energy, Office of Fossil Energy (DOE-FE), and in part by the DOE-FE under Contract No. DE-AC05-00OR22725 with UT-Battelle, LLC. The authors would like to express their gratitude to Nobio Otsuka of Sumitomo Metals for providing the tube samples that are the subject of this paper. Thanks also are due to Hu Longmire for the development of metallographic techniques, Larry Walker for electron probe microanalysis skills, Dorothy Coffey for preparation of FIB samples, and to Dane Wilson for reviewing the manuscript. NR 13 TC 8 Z9 9 U1 0 U2 4 PU SCIENCE REVIEWS 2000 LTD PI ST ALBANS PA PO BOX 314, ST ALBANS AL1 4ZG, HERTS, ENGLAND SN 0960-3409 J9 MATER HIGH TEMP JI Mater. High Temp. PY 2009 VL 26 IS 2 BP 105 EP 111 DI 10.3184/096034009X464348 PG 7 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 474TD UT WOS:000268306100001 ER PT J AU Pint, BA Walker, LR Wright, IG AF Pint, B. A. Walker, L. R. Wright, I. G. TI Factors affecting aluminum depletion during cyclic oxidation of Fe-base alumina-forming alloys SO MATERIALS AT HIGH TEMPERATURES LA English DT Article DE alumina-formers; breakaway oxidation; oxide dispersion strengthened; lifetime model ID HIGH-TEMPERATURE OXIDATION; BREAKAWAY OXIDATION; HEAT-EXCHANGER; FECRAL ALLOYS; GROWTH-RATES; LIFETIME; BEHAVIOR; SCALES; SUPERALLOYS; PERFORMANCE AB In order to develop an improved oxidation-limited lifetime model, experiments are being conducted to assess the critical factors that affect the rate of Al loss from Fe-base alumina-forming alloys during cyclic oxidation. Both wrought and dispersion strengthened ferritic and intermetallic Fe-Al +/- Cr alloys are being investigated at exposure temperatures from 1100-1300 degrees C. Higher temperatures, thinner specimens and cycle frequency are used to accelerate degradation during oxidation. However, the effects of these experimental choices often have not been critically assessed in prior work. Electron probe microanalysis has been used to measure the residual Al Content under various conditions and at various stages of life. For 0.5-2 mm thick specimens, lifetime repeatedly showed a linear relationship to thickness. Increasing the oxidation temperature appears to be the most viable strategy to accelerate the evaluation of oxidation resistance for comparing and developing alloys. C1 [Pint, B. A.; Walker, L. R.; Wright, I. G.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Pint, BA (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM pintba@ornl.gov RI Pint, Bruce/A-8435-2008 OI Pint, Bruce/0000-0002-9165-3335 FU U.S. Department of Energy, Office of Fossil Energy, Advanced Research Materials Program [DE-AC05-00OR22725] FX The authors thank G.W. Gamer, J.L. Moser and H. Longmire at ORNL for assistance with the experimental work and J.A. Haynes and K.L. More for comments on the manuscript. Commercial alloys were received with the assistance of B. Jonsson at Kanthal, Q. Mabbutt at British Gas (ODM751), D. Sporer at Plansee, and G. Smith, B. Baker and M. Harper at Special Metals. This research was sponsored by the U.S. Department of Energy, Office of Fossil Energy, Advanced Research Materials Program, under contract DE-AC05-00OR22725 with UT-Battelle, LLC. NR 30 TC 6 Z9 6 U1 0 U2 5 PU SCIENCE REVIEWS 2000 LTD PI ST ALBANS PA PO BOX 314, ST ALBANS AL1 4ZG, HERTS, ENGLAND SN 0960-3409 J9 MATER HIGH TEMP JI Mater. High Temp. PY 2009 VL 26 IS 2 BP 211 EP U2 DI 10.3184/096034009X464401 PG 6 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 474TD UT WOS:000268306100013 ER PT S AU Farmer, J El-dasher, B de Caro, MS Ferreira, J AF Farmer, Joseph El-dasher, Bassem de Caro, Magdalena Serrano Ferreira, James BE Fu, CC Kimura, A Samaras, M DeCaro, MS Stoller, RE TI Corrosion of Ferritic Steels in High Temperature Molten Salt Coolants for Nuclear Applications SO MATERIALS FOR FUTURE FUSION AND FISSION TECHNOLOGIES SE Materials Research Society Symposium Proceedings LA English DT Proceedings Paper CT Symposium on Materials for Future Fusion and Fission Technologies held at the 2008 MRS Fall Meeting CY DEC 02-04, 2008 CL Boston, MA SP Mat Res Soc ID FERRITIC/MARTENSITIC STEELS; IRRADIATION; TRITIUM AB Corrosion of ferritic steels, including oxide dispersion strengthened (ODS) variants, in high temperature molten fluoride salts may limit the life of advanced reactors, including some hybrid systems that are now under consideration. In some cases, the steel may be protected through galvanic coupling with other less noble materials with special neutronic properties such as beryllium. This paper reports the development of a model for predicting corrosion rates for various ferritic steels, with and without oxide dispersion strengthening, in FLiBe (Li(2)BeF(4)) and FLiNaK (Li-Na-K-F) coolants at temperatures up to 800 degrees C. Mixed potential theory is used to account for the protection of steel by beryllium, Tafel kinetics are used to predict rates of dissolution as a function of temperature and potential, and the thinning of the mass-transfer boundary layer with increasing Reynolds number is accounted for with dimensionless correlations. The model also accounts for the deceleration of corrosion as the coolants become saturated with dissolved chromium and iron. Electrochemical impedance spectroscopy has been used for the initial in situ study of an ODS ferritic steel in high-temperature molten fluoride salt environments, with the complex impedance spectra obtained at its open circuit corrosion potential (OCP) interpreted in terms of the basic components of the equivalent circuit, which include the electrolyte conductivity, the interfacial charge transfer resistance, and the interfacial capacitance. Such in situ measurement techniques may provide valuable insight into the degradation of materials under realistic conditions. C1 [Farmer, Joseph; El-dasher, Bassem; de Caro, Magdalena Serrano; Ferreira, James] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Farmer, J (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. NR 13 TC 2 Z9 2 U1 2 U2 14 PU MATERIALS RESEARCH SOCIETY PI WARRENDALE PA 506 KEYSTONE DRIVE, WARRENDALE, PA 15088-7563 USA SN 0272-9172 BN 978-1-60511-097-4 J9 MATER RES SOC SYMP P PY 2009 VL 1125 BP 41 EP 48 DI 10.1007/978-0-387-87374-9_3 PG 8 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA BMC26 UT WOS:000271830900008 ER PT S AU Keiser, DD Cole, JI AF Keiser, Dennis D., Jr. Cole, James I. BE Fu, CC Kimura, A Samaras, M DeCaro, MS Stoller, RE TI An Assessment of Layer Development at the Fuel/Cladding Interface During Irradiation of Metallic SFR Fuel Elements SO MATERIALS FOR FUTURE FUSION AND FISSION TECHNOLOGIES SE Materials Research Society Symposium Proceedings LA English DT Proceedings Paper CT Symposium on Materials for Future Fusion and Fission Technologies held at the 2008 MRS Fall Meeting CY DEC 02-04, 2008 CL Boston, MA SP Mat Res Soc AB To investigate fuel cladding chemical interaction in irradiated metallic nuclear fuels, diffusion couple experiments have been performed using prototypic metallic fuel alloys with additions of noble metal and lanthanide fission product components mated against stainless steel claddings. The developed interdiffusion zones have been characterized using SEM/EDS/WDS to determine the development of phases and the interdiffusion behavior of specific fuel, cladding, and fission product components. The formed diffusion structures have been compared to actual interaction zones that form in irradiated metallic SFR fuels. This paper discusses how the structures compare between the diffusion couple-generated interdiffusion zones and those that develop in irradiated metallic nuclear fuels. It was found that similarities exist between the phase development and interdiffusion behavior in the annealed diffusion couples and the irradiated fuels. Nd, Mo, and Ru, which were added to a fuel alloy to represent fission products that are present in irradiated metallic nuclear fuels, were found to exhibit interdiffusion behavior in annealed diffusion couples that was similar to what has been observed in actual irradiated metallic fuels. This was also true for the original fuel components U, Pu, and Zr, along with the cladding constituent Fe, Ni, and Cr. C1 [Keiser, Dennis D., Jr.; Cole, James I.] Idaho Natl Lab, Idaho Falls, ID 83402 USA. RP Keiser, DD (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83402 USA. OI Cole, James/0000-0003-1178-5846 NR 5 TC 0 Z9 0 U1 0 U2 5 PU MATERIALS RESEARCH SOCIETY PI WARRENDALE PA 506 KEYSTONE DRIVE, WARRENDALE, PA 15088-7563 USA SN 0272-9172 BN 978-1-60511-097-4 J9 MATER RES SOC SYMP P PY 2009 VL 1125 BP 73 EP 79 PG 7 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA BMC26 UT WOS:000271830900012 ER PT S AU Shaw, HF Blink, JA Farmer, JC Kramer, KJ Latkowski, JF Zhao, PH AF Shaw, Henry F. Blink, James A. Farmer, Joseph C. Kramer, Kevin J. Latkowski, Jeffery F. Zhao, Pihong BE Fu, CC Kimura, A Samaras, M DeCaro, MS Stoller, RE TI Radiological Aspects of Deep-Burn Fusion-Fission Hybrid Waste in a Repository SO MATERIALS FOR FUTURE FUSION AND FISSION TECHNOLOGIES SE Materials Research Society Symposium Proceedings LA English DT Proceedings Paper CT Symposium on Materials for Future Fusion and Fission Technologies held at the 2008 MRS Fall Meeting CY DEC 02-04, 2008 CL Boston, MA SP Mat Res Soc AB The quantity, radioactivity, and isotopic characteristics of the spent fission fuel from a hybrid fusion-fission system capable of extremely high burnups are described. The waste generally has higher activity per unit mass of heavy metal, but much lower activity per unit energy generated. The very long-term radioactivity is dominated by fission products. Simple scaling calculations suggest that the dose from a repository containing such waste would be dominated by (129)I, (135)Cs, and (242)Pu. Use of such a system for generating energy would greatly reduce the need for repository capacity C1 [Shaw, Henry F.; Blink, James A.; Farmer, Joseph C.; Kramer, Kevin J.; Latkowski, Jeffery F.; Zhao, Pihong] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Shaw, HF (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave, Livermore, CA 94550 USA. RI Shaw, Henry/B-6445-2012 OI Shaw, Henry/0000-0003-0681-5430 NR 11 TC 0 Z9 0 U1 0 U2 1 PU MATERIALS RESEARCH SOCIETY PI WARRENDALE PA 506 KEYSTONE DRIVE, WARRENDALE, PA 15088-7563 USA SN 0272-9172 BN 978-1-60511-097-4 J9 MATER RES SOC SYMP P PY 2009 VL 1125 BP 81 EP 86 PG 6 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA BMC26 UT WOS:000271830900013 ER PT S AU Blink, JA Chipman, V Farmer, J Shaw, H Zhao, PH AF Blink, James A. Chipman, Veraun Farmer, Joseph Shaw, Henry Zhao, Pihong BE Fu, CC Kimura, A Samaras, M DeCaro, MS Stoller, RE TI Thermal Performance of Deep-Burn Fusion-Fission Hybrid Waste in a Repository SO MATERIALS FOR FUTURE FUSION AND FISSION TECHNOLOGIES SE Materials Research Society Symposium Proceedings LA English DT Proceedings Paper CT Symposium on Materials for Future Fusion and Fission Technologies held at the 2008 MRS Fall Meeting CY DEC 02-04, 2008 CL Boston, MA SP Mat Res Soc AB The thermal characteristics of the spent fission fuel from a hybrid fusion-fission system (LIFE) capable of extremely high burnups are described. The waste has higher thermal output per unit mass of heavy metal, but lower thermal output per unit energy generated. Plausible designs for interim storage containers and cooling configuration can remove the heat without exceeding fuel temperature limits. Calculations show that a spent LIFE fuel repository would perform within the limits established for the proposed repository at Yucca Mountain. C1 [Blink, James A.; Chipman, Veraun; Farmer, Joseph; Shaw, Henry; Zhao, Pihong] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Blink, JA (reprint author), Lawrence Livermore Natl Lab, Livermore, CA USA. NR 4 TC 0 Z9 0 U1 0 U2 0 PU MATERIALS RESEARCH SOCIETY PI WARRENDALE PA 506 KEYSTONE DRIVE, WARRENDALE, PA 15088-7563 USA SN 0272-9172 BN 978-1-60511-097-4 J9 MATER RES SOC SYMP P PY 2009 VL 1125 BP 87 EP 94 PG 8 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA BMC26 UT WOS:000271830900014 ER PT S AU Stoller, RE Kamenski, PJ Osetsky, YN AF Stoller, R. E. Kamenski, P. J. Osetsky, Yu. N. BE Fu, CC Kimura, A Samaras, M DeCaro, MS Stoller, RE TI Length-Scale Effects in Cascade Damage Production in Iron SO MATERIALS FOR FUTURE FUSION AND FISSION TECHNOLOGIES SE Materials Research Society Symposium Proceedings LA English DT Proceedings Paper CT Symposium on Materials for Future Fusion and Fission Technologies held at the 2008 MRS Fall Meeting CY DEC 02-04, 2008 CL Boston, MA SP Mat Res Soc ID DISPLACEMENT CASCADES; MOLECULAR-DYNAMICS; DEFECT PRODUCTION; ALPHA-IRON; TEMPERATURE; IRRADIATION; SIMULATIONS; METALS; COPPER AB Molecular dynamics simulations provide an atomistic description of the processes that control primary radiation damage formation in atomic displacement cascades. An extensive database of simulations describing cascade damage production in single crystal iron has been compiled using a modified version of the interatomic potential developed by Finnis and Sinclair. This same potential has been used to investigate primary damage formation in nanocrystalline iron in order to have a direct comparison with the single crystal results. A statistically significant number of simulations were carried out at cascade energies of 10 keV and 20 keV and temperatures of 100 and 600K to make this comparison. The results demonstrate a significant influence of nearby grain boundaries as a sink for mobile defects during the cascade cooling phase. This alters the residual primary damage that survives the cascade event. Compared to single crystal, Substantially fewer interstitials survive in the nanograined iron, while the number of surviving vacancies is similar or slightly greater than the single crystal result. The fraction of the surviving interstitials contained in clusters is also reduced. The asymmetry in the survival of the two types of point defects is likely to alter damage accumulation at longer times. C1 [Stoller, R. E.; Osetsky, Yu. N.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Stoller, RE (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. OI Osetskiy, Yury/0000-0002-8109-0030 NR 23 TC 3 Z9 3 U1 0 U2 8 PU MATERIALS RESEARCH SOCIETY PI WARRENDALE PA 506 KEYSTONE DRIVE, WARRENDALE, PA 15088-7563 USA SN 0272-9172 BN 978-1-60511-097-4 J9 MATER RES SOC SYMP P PY 2009 VL 1125 BP 109 EP 120 PG 12 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA BMC26 UT WOS:000271830900017 ER PT S AU Peralta, XG Arrington, CL Williams, JD Strikwerda, A Averitt, RD Padilla, WJ O'Hara, JF Brener, I AF Peralta, Xomalin G. Arrington, C. L. Williams, J. D. Strikwerda, A. Averitt, R. D. Padilla, W. J. O'Hara, J. F. Brener, I. BE DalNegro, L Brongersma, M Fukumoto, JM Novotny, L TI Terahertz Metamaterials on Thin Silicon Nitride Membranes SO MATERIALS FOR NANOPHOTONICS - PLASMONICS, METAMATERIALS AND LIGHT LOCALIZATION SE Materials Research Society Symposium Proceedings LA English DT Proceedings Paper CT Symposium on Materials for Nanophotonics - Plasmonics, Metamatgerials and Light Localization held at the 2009 MRS Spring Meeting CY APR 14-17, 2009 CL San Francisco, CA SP Mat Res Soc ID SPLIT-RING RESONATORS AB The terahertz (THz) region of the electromagnetic spectrum holds promise for spectroscopic imaging of illicit and hazardous materials, and chemical fingerprinting using moment of inertia vibrational transitions. Passive and active devices operating at THz frequencies are currently a challenge, and a promising emerging technology for such devices is optical metamaterials. For example, a chem/bio sensing scheme based on the sensitivity of metamaterials to their dielectric environment has been proposed but may be limited due to the large concentration of electric flux in the substrate. In addition, there is an interest in fabricating 3D metamaterials, which is a challenge at these and shorter wavelengths due to fabrication constraints. In order to address both of these problems, we have developed a process to fabricate THz metamaterials on free-standing, I micron thick silicon nitride membranes. We will present THz transmission spectra and the corresponding simulation results for these metamaterials, comparing their performance with previously fabricated metamaterials on various thick substrates. Finally, we will present a scheme for implementing a 3D THz metamaterial based on stacking and possibly liftoff of these silicon nitride membranes. C1 [Peralta, Xomalin G.; Arrington, C. L.; Brener, I.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Peralta, XG (reprint author), Sandia Natl Labs, POB 5800,MS1082, Albuquerque, NM 87185 USA. RI Peralta, Xomalin/F-3710-2014 OI Peralta, Xomalin/0000-0002-4034-3214 NR 15 TC 0 Z9 0 U1 0 U2 6 PU MATERIALS RESEARCH SOCIETY PI WARRENDALE PA 506 KEYSTONE DRIVE, WARRENDALE, PA 15088-7563 USA SN 0272-9172 BN 978-1-60511-155-1 J9 MATER RES SOC SYMP P PY 2009 VL 1182 BP 145 EP 151 PG 7 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Optics SC Science & Technology - Other Topics; Materials Science; Optics GA BMZ19 UT WOS:000273972800020 ER PT S AU Stetson, N Petrovic, J AF Stetson, Ned Petrovic, John BE Wicks, GG Simon, J TI OVERVIEW OF US MATERIALS DEVELOPMENT ACTIVITIES FOR HYDROGEN TECHNOLOGIE S SO MATERIALS INNOVATIONS IN AN EMERGING HYDROGEN ECONOMY SE Ceramic Transactions LA English DT Proceedings Paper CT 1st Inter-Society Conference on Materials Innovations in an Emerging Hydrogen Economy CY FEB 24-27, 2008 CL Cocoa Beach, FL SP Amer Ceram Soc, ASM Int, Natl Hydrogen Assoc, Soc Adv Mat & Process Engn AB The adoption of hydrogen fuel for transportation and other energy requirements is one potential means to address both climate change and energy independence issues. The U.S. government is supporting a significant effort to develop hydrogen and fuel cell technologies. This overview outlines materials-related activities in the areas of hydrogen production, hydrogen delivery, and hydrogen storage, with a focus on the U.S. Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy Hydrogen Program. C1 [Stetson, Ned] US DOE, Off Hydrogen Fuel Cells & Infrastruct Technol, Washington, DC 20585 USA. [Petrovic, John] Los Alamos Natl Lab, Cape Canaveral, FL USA. RP Stetson, N (reprint author), US DOE, Off Hydrogen Fuel Cells & Infrastruct Technol, Washington, DC 20585 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 1042-1122 BN 978-0-470-40836-0 J9 CERAM TRANS PY 2009 VL 202 BP 39 EP + PG 2 WC Energy & Fuels; Materials Science, Ceramics; Materials Science, Multidisciplinary SC Energy & Fuels; Materials Science GA BTM15 UT WOS:000287273500004 ER PT S AU Mohtadi, R Tange, K Matsunaga, T Wicks, G Heung, K Schumacher, R AF Mohtadi, Rana Tange, Kyoichi Matsunaga, Tomoya Wicks, George Heung, Kit Schumacher, Ray BE Wicks, GG Simon, J TI A NEW WAY FOR STORING REACTIVE COMPLEX HYDRIDES ON BOARD OF AUTOMOBILES SO MATERIALS INNOVATIONS IN AN EMERGING HYDROGEN ECONOMY SE Ceramic Transactions LA English DT Proceedings Paper CT 1st Inter-Society Conference on Materials Innovations in an Emerging Hydrogen Economy CY FEB 24-27, 2008 CL Cocoa Beach, FL SP Amer Ceram Soc, ASM Int, Natl Hydrogen Assoc, Soc Adv Mat & Process Engn ID HYDROGEN; STORAGE AB Currently, hydrogen is stored on board automobiles either under high pressure or under cryogenic conditions. The high pressure and the cryogenic condition make them undesirable for onboard storage. Storage of chemically bonded hydrogen in materials like complex metal hydrides can take place under moderate pressure and temperature conditions, and possibly can enhance the hydrogen storage density, however, their reactivity under ambient conditions could hinder their utilization even if they meet their performance required targets. In this work, we proposed a new innovative way which could improve the safety of handling and storing highly reactive complex metal hydrides. Here we report formation of porous hollow glass spheres and illustrate sodium alanate encapsulation inside these spheres. C1 [Mohtadi, Rana] Toyota Res Inst North Amer, Ann Arbor, MI 48105 USA. [Tange, Kyoichi; Matsunaga, Tomoya] Toyota Motor Co Ltd, Shizuoka, Japan. [Wicks, George; Heung, Kit; Schumacher, Ray] Savannah River Natl Lab, Aiken, SC USA. RP Mohtadi, R (reprint author), Toyota Res Inst North Amer, Ann Arbor, MI 48105 USA. NR 9 TC 2 Z9 2 U1 0 U2 2 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 1042-1122 BN 978-0-470-40836-0 J9 CERAM TRANS PY 2009 VL 202 BP 91 EP + PG 2 WC Energy & Fuels; Materials Science, Ceramics; Materials Science, Multidisciplinary SC Energy & Fuels; Materials Science GA BTM15 UT WOS:000287273500009 ER PT S AU Heung, LK Wicks, GG Schumacher, RF AF Heung, L. K. Wicks, G. G. Schumacher, R. F. BE Wicks, GG Simon, J TI ENCAPSULATION OF PALLADIUM IN POROUS WALL HOLLOW GLASS MICROSPHERES SO MATERIALS INNOVATIONS IN AN EMERGING HYDROGEN ECONOMY SE Ceramic Transactions LA English DT Proceedings Paper CT 1st Inter-Society Conference on Materials Innovations in an Emerging Hydrogen Economy CY FEB 24-27, 2008 CL Cocoa Beach, FL SP Amer Ceram Soc, ASM Int, Natl Hydrogen Assoc, Soc Adv Mat & Process Engn AB A new encapsulation method was investigated in an attempt to develop an improved palladium packing material for hydrogen isotope separation. Porous wall hollow glass microspheres (PWHGMs) were produced by using a flame former, heat treating and acid leaching. The PWHGMs were then filled with palladium salt using a soak-and-dry process. The palladium salt was reduced at high temperature to leave palladium inside the microspheres. C1 [Heung, L. K.; Wicks, G. G.; Schumacher, R. F.] Savannah River Natl Lab, Aiken, SC USA. RP Heung, LK (reprint author), Savannah River Natl Lab, Aiken, SC USA. NR 7 TC 1 Z9 1 U1 2 U2 4 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 1042-1122 BN 978-0-470-40836-0 J9 CERAM TRANS PY 2009 VL 202 BP 143 EP 148 PG 6 WC Energy & Fuels; Materials Science, Ceramics; Materials Science, Multidisciplinary SC Energy & Fuels; Materials Science GA BTM15 UT WOS:000287273500015 ER PT S AU Adams, TM Korinko, PS AF Adams, Thad M. Korinko, Paul S. BE Wicks, GG Simon, J TI ALTERNATIVE MATERIALS TO PD MEMBRANES FOR HYDROGEN PURIFICATION SO MATERIALS INNOVATIONS IN AN EMERGING HYDROGEN ECONOMY SE Ceramic Transactions LA English DT Proceedings Paper CT 1st Inter-Society Conference on Materials Innovations in an Emerging Hydrogen Economy CY FEB 24-27, 2008 CL Cocoa Beach, FL SP Amer Ceram Soc, ASM Int, Natl Hydrogen Assoc, Soc Adv Mat & Process Engn ID PERMEATION CHARACTERISTICS; METAL MEMBRANES; ALLOYS; SEPARATION; VANADIUM AB Development of advanced hydrogen separation membranes in support of hydrogen production processes such as coal. gasification and as front end gas purifiers for fuel cell based system is paramount to the successful implementation of a national hydrogen economy. Current generation metallic hydrogen separation membranes are based on Pd-alloys. Although the technology has proven successful, at issue is the high cost of palladium. Evaluation of non-noble metal based dense metallic separation membranes is currently receiving national and international attention. The focal point of the reported work was to evaluate two different classes of materials for potential replacement of conventional Pd-alloy purification/diffuser membranes. Crystalline V-Ni-Ti and Amorphous Fe- and Co-based metallic glass alloys have been evaluated using gaseous hydrogen permeation testing techniques. C1 [Adams, Thad M.; Korinko, Paul S.] Savannah River Natl Lab, Aiken, SC 29803 USA. RP Adams, TM (reprint author), Savannah River Natl Lab, Aiken, SC 29803 USA. NR 8 TC 0 Z9 0 U1 1 U2 1 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 1042-1122 BN 978-0-470-40836-0 J9 CERAM TRANS PY 2009 VL 202 BP 149 EP 158 PG 10 WC Energy & Fuels; Materials Science, Ceramics; Materials Science, Multidisciplinary SC Energy & Fuels; Materials Science GA BTM15 UT WOS:000287273500016 ER PT S AU Erck, RA Fenske, GR Eryilmaz, OL AF Erck, R. A. Fenske, G. R. Eryilmaz, O. L. BE Wicks, GG Simon, J TI FRICTION AND WEAR PROPERTIES OF MATERIALS USED IN HYDROGEN SERVICE SO MATERIALS INNOVATIONS IN AN EMERGING HYDROGEN ECONOMY SE Ceramic Transactions LA English DT Proceedings Paper CT 1st Inter-Society Conference on Materials Innovations in an Emerging Hydrogen Economy CY FEB 24-27, 2008 CL Cocoa Beach, FL SP Amer Ceram Soc, ASM Int, Natl Hydrogen Assoc, Soc Adv Mat & Process Engn ID CARBON-FILMS AB The surfaces of components used in the production and delivery of hydrogen, such as in compressors used for pipeline or point-of-delivery applications, can be subject to excessive wear, may have poor reliability, and may require the use of lubricants that could contaminate the hydrogen. In order to understand the potential problems affecting the economics and reliability of components, we undertook experiments to assess the friction and wear properties of candidate materials, such as stainless steel and nickel alloys. Coatings based on graphite, diamondlike carbon, or MoS2 were also examined. Tribological test results are presented for sliding at low speeds in sub-ambient hydrogen gas, as well as for medium-speed tests of materials in dilute hydrogen gas at ambient pressure. C1 [Erck, R. A.; Fenske, G. R.; Eryilmaz, O. L.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Erck, RA (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 3 TC 0 Z9 0 U1 0 U2 0 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 1042-1122 BN 978-0-470-40836-0 J9 CERAM TRANS PY 2009 VL 202 BP 181 EP 186 PG 6 WC Energy & Fuels; Materials Science, Ceramics; Materials Science, Multidisciplinary SC Energy & Fuels; Materials Science GA BTM15 UT WOS:000287273500019 ER PT S AU Dadfarnia, M Sofronis, P Somerday, BP Robertson, IM AF Dadfarnia, M. Sofronis, P. Somerday, B. P. Robertson, I. M. BE Wicks, GG Simon, J TI EFFECT OF REMOTE HYDROGEN BOUNDARY CONDITIONS ON THE NEAR CRACK-TIP HYDROGEN CONCENTRATION PROFILES IN A CRACKED PIPELINE: FRACTURE TOUGHNESS ASSESSMENT SO MATERIALS INNOVATIONS IN AN EMERGING HYDROGEN ECONOMY SE Ceramic Transactions LA English DT Proceedings Paper CT 1st Inter-Society Conference on Materials Innovations in an Emerging Hydrogen Economy CY FEB 24-27, 2008 CL Cocoa Beach, FL SP Amer Ceram Soc, ASM Int, Natl Hydrogen Assoc, Soc Adv Mat & Process Engn ID STEEL; IRON AB To investigate the hydrogen embrittlement of pipelines carrying gaseous hydrogen at high pressure. we quantify the hydrogen, stress, and deformation fields-in the fracture process zone near the tip of an axial crack on the inner diameter (ID) surface. Under hydrogen pressure 15 MPa, we first explore how these fields evolve with time under conditions simulating either hydrogen outgassing (zero hydrogen concentration) through the outer diameter (OD) surface or an oxidized/coated and therefore impermeable OD surface (zero hydrogen flux). Next we investigate the development of the same fields through a modified boundary layer (MBL) formulation pertaining to laboratory specimens in which the domain is loaded remotely by the stress intensity factor and the T-stress the real-life pipeline experiences and under the same hydrogen boundary conditions. For all practical purposes, we find that the steady state hydrogen concentration fields in the crack tip region in both real-life pipeline and MBL forrnulation are nearly the same and independent of the boundary conditions prescribed respectively at the OD surface of the pipeline or the remote boundary of the MBL domain so long as small scale yielding conditions are prevalent - which is the case for axial crack depths less than 40% of the pipeline wall thickness. We also find that the near tip results in the MBL formulation are independent of the size of the domain of analysis if small scale yielding conditions prevail. We conclude that one can study the hydrogen effects on fracture at an axial crack on the inner surface of a pipeline through a laboratory fracture mechanics specimen subjected to the same stress intensity factor as the real-life pipeline and exhibiting the same hydrostatic constraint. C1 [Dadfarnia, M.; Sofronis, P.; Robertson, I. M.] Univ Illinois, Dept Mech Sci & Engn, 1206 W Green St, Urbana, IL 61801 USA. [Somerday, B. P.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Dadfarnia, M (reprint author), Univ Illinois, Dept Mech Sci & Engn, 1206 W Green St, Urbana, IL 61801 USA. OI Dadfarnia, Mohsen/0000-0002-5218-971X FU U.S. Department of Energy [G015045]; Sandia National Laboratories under U.S. Department of Energy [DEAC04-94AL85000]; National Science Foundation [DMR 0302470] FX The authors gratefully acknowledge support from (i) U.S. Department of Energy Grant G015045; (ii) the Sandia National Laboratories under U.S. Department of Energy contract no. DEAC04-94AL85000; and (iii) National Science Foundation Grant DMR 0302470. NR 16 TC 2 Z9 2 U1 0 U2 0 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 1042-1122 BN 978-0-470-40836-0 J9 CERAM TRANS PY 2009 VL 202 BP 187 EP + PG 2 WC Energy & Fuels; Materials Science, Ceramics; Materials Science, Multidisciplinary SC Energy & Fuels; Materials Science GA BTM15 UT WOS:000287273500020 ER PT S AU Walters, RT Burket, P Wicks, GG AF Walters, R. Tom Burket, Paul Wicks, George G. BE Wicks, GG Simon, J TI TEMPERATURE PROGRAMED DESORPTION USING AN OFF-THE-SHELF HYBRID MICROWAVE OVEN SO MATERIALS INNOVATIONS IN AN EMERGING HYDROGEN ECONOMY SE Ceramic Transactions LA English DT Proceedings Paper CT 1st Inter-Society Conference on Materials Innovations in an Emerging Hydrogen Economy CY FEB 24-27, 2008 CL Cocoa Beach, FL SP Amer Ceram Soc, ASM Int, Natl Hydrogen Assoc, Soc Adv Mat & Process Engn AB A hybrid-heating microwave oven provides the energy to heat samples of spent metal tritide storage bed material to release tenaciously held tritium decay product He-3. Complete mass balance procedures require direct measurement of added or produced gases on a tritide bed, and over 1100 degrees C is necessary to release deep trapped He-3 from spent palladium tritide. A hybrid configuration microwave oven is chosen as the heat source. Using Silicon Carbide (SiC) as a susceptor material, any temperature between room temperature and 1200 degrees C can be selected and held to analyze the temperature dependent release of gases. The decomposition of non-radioactive CaCO3 and the quantitative measurement of CO2 better than 3% of stoichiometry demonstrate the capabilities of the apparatus to capture generated (released) gases quantitatively. C1 [Walters, R. Tom; Burket, Paul; Wicks, George G.] Washington Savannah River Co, Savannah River Natl Lab, Aiken, SC 29808 USA. RP Walters, RT (reprint author), Washington Savannah River Co, Savannah River Natl Lab, Aiken, SC 29808 USA. NR 5 TC 0 Z9 0 U1 0 U2 1 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 1042-1122 BN 978-0-470-40836-0 J9 CERAM TRANS PY 2009 VL 202 BP 211 EP 219 PG 9 WC Energy & Fuels; Materials Science, Ceramics; Materials Science, Multidisciplinary SC Energy & Fuels; Materials Science GA BTM15 UT WOS:000287273500022 ER PT S AU Morgan, MJ AF Morgan, Michael J. BE Wicks, GG Simon, J TI TRITIUM AGING EFFECTS ON THE FRACTURE TOUGHNESS PROPERTIES OF FORGED STAINLESS STEEL SO MATERIALS INNOVATIONS IN AN EMERGING HYDROGEN ECONOMY SE Ceramic Transactions LA English DT Proceedings Paper CT 1st Inter-Society Conference on Materials Innovations in an Emerging Hydrogen Economy CY FEB 24-27, 2008 CL Cocoa Beach, FL SP Amer Ceram Soc, ASM Int, Natl Hydrogen Assoc, Soc Adv Mat & Process Engn AB The fracture toughness properties of Type 21-6-9 stainless steel were measured for forgings in the unexposed, hydrogen-exposed, and tritium-exposed-and-aged conditions. Fracture toughness samples were cut from conventionally-forged and high-energy-rate-forged forward-extruded cylinders and mechanically tested at room temperature using ASTM fracture-toughness testing procedures. Some of the samples were exposed to either hydrogen or tritium gas (340 MPa, 623 K) prior to testing. Tritium-exposed samples were aged for up to seven years and tested periodically in order to measure the effect on fracture toughness of (3)He from radioactive tritium decay. The results show that hydrogen-exposed and tritium-exposed samples had lower fracture- tougihness values than unexposed samples and that fracture toughness decreased with increasing decay He content. Forged steels were more resistant to the embrittling effects of tritium and decay (3)He than annealed steels, although their fracture-toughness properties depended on the degree of sensitization that occurred during processing. The fracture process was dominated by microvoid nucleation, growth and coalescence; however, the size and spacing of microvoids on the fracture surfaces were affected by hydrogen and tritium with the lowest-toughness samples having the smallest microvoids and finest spacing. C1 Savannah River Natl Lab, Aiken, SC USA. RP Morgan, MJ (reprint author), Savannah River Natl Lab, Aiken, SC USA. NR 20 TC 0 Z9 0 U1 1 U2 1 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 1042-1122 BN 978-0-470-40836-0 J9 CERAM TRANS PY 2009 VL 202 BP 223 EP 235 PG 13 WC Energy & Fuels; Materials Science, Ceramics; Materials Science, Multidisciplinary SC Energy & Fuels; Materials Science GA BTM15 UT WOS:000287273500023 ER PT B AU Kubas, GJ AF Kubas, Gregory J. BE Jena, P Kandalam, A Sun, Q TI H(2) BINDING AND REACTIVITY ON TRANSITION METAL COMPLEXES UNDERLYING BIOMIMETIC H(2) PRODUCTION AND NEW MATERIALS FOR H(2) STORAGE SO MATERIALS ISSUES IN A HYDROGEN ECONOMY LA English DT Proceedings Paper CT International Symposium on Materials Issues in a Hydrogen Economy CY NOV 12-15, 2007 CL Richmond, VA ID INELASTIC NEUTRON-SCATTERING; MOLECULAR-HYDROGEN; DIHYDROGEN COMPLEXES; ORGANIC FRAMEWORKS; ONLY HYDROGENASE; ACTIVE-SITE; X-RAY; LIGAND; COORDINATION; ADSORPTION AB The H(2) molecule is held together by a very strong two-electron H-H bond but is only useful chemically when the two H's are split apart in controlled fashion. The reverse of this process is formation of H(2) from for example protons and electrons as performed elegantly and efficiently in Nature by hydrogenase enzymes. Both splitting of H(2) and formation of H(2) occurs on transition metal complexes via binding of molecular H(2) to the metal center, often observed as stable solids. Splitting of H(2) occurs by both homolytic (dihydride formation) and heterolytic (formation of metal hydride plus proton) pathways depending on the nature of the metal complex. The molecular chemistry and spectroscopic features of dihydrogen complexes will be the major topic of this talk. We are engaged in synthesizing catalysts for biomimetic photocatalytic hydrogen production consisting of first-row metals such as iron capable of binding and splitting/forming H(2). Hydrogen binds reversibly to a surprisingly large variety of both metal and main-group atoms, especially at low temperatures, and we are also studying such H(2) complexes for hydrogen storage. C1 Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Kubas, GJ (reprint author), Los Alamos Natl Lab, Div Chem, MS J582, Los Alamos, NM 87545 USA. EM kubas@lanl.gov NR 38 TC 0 Z9 0 U1 1 U2 3 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE BN 978-981-283-801-8 PY 2009 BP 83 EP 91 DI 10.1142/9789812838025_0007 PG 9 WC Energy & Fuels; Engineering, Chemical; Materials Science, Multidisciplinary SC Energy & Fuels; Engineering; Materials Science GA BLE72 UT WOS:000270024700007 ER PT B AU Whitney, E Engtrakul, C Curtis, CJ Yan, Y Parilla, PA O'Neill, KJ Simpson, LJ Heben, MJ Zhao, Y Kim, YH Zheng, SB Dillon, AC AF Whitney, E. Engtrakul, C. Curtis, C. J. Yan, Y. Parilla, P. A. O'Neill, K. J. Simpson, L. J. Heben, M. J. Zhao, Y. Kim, Y. -H. Zheng, S. B. Dillon, A. C. BE Jena, P Kandalam, A Sun, Q TI SYNTHESIS OF NOVEL METAL-COORDINATED FULLERENES FOR VEHICULAR HYDROGEN STORAGE SO MATERIALS ISSUES IN A HYDROGEN ECONOMY LA English DT Proceedings Paper CT International Symposium on Materials Issues in a Hydrogen Economy CY NOV 12-15, 2007 CL Richmond, VA ID WALLED CARBON NANOTUBES; COMPLEXES; C-60; BUCKMINSTERFULLERENE; CHEMISTRY; LIGANDS AB Experimental wet chemical approaches have been demonstrated in the synthesis of a new chainlike (C(60)-Fe-C(60)-Fe)(n) complex. This structure has been proposed based on (13)C solid-state nuclear magnetic resonance, high-resolution transmission electron microscopy, energy-dispersive spectroscopy, and X-ray diffraction. Furthermore, this structure has been shown to have unique binding sites for dihydrogen molecules with the technique of temperature-programmed desorption. The new adsorption sites have binding energies that are stronger than that observed for hydrogen physisorbed on planar graphite, but significantly weaker than a chemical C-H bond. Volumetric measurements at 77 K and 2 bar show a hydrogen adsorption capacity of 0.5 wt%. Interestingly, the BET surface area is similar to 31 m(2)/g after degassing, which is more than an order of magnitude less than expected given the measured experimental hydrogen capacity. Nitrogen and hydrogen isotherms performed at 75 K show a marked selectivity for hydrogen over nitrogen for this complex, indicating hidden surface area for hydrogen adsorption. Various Li(x)C(60) compounds have also been synthesized, inspired by theoretical predictions of an optimized Li(12)C(60) compound with substantial hydrogen capacity. Unfortunately, the theoretical Structure was not experimentally achieved, nor was the predicted hydrogen capacity reached. C1 [Whitney, E.; Engtrakul, C.; Curtis, C. J.; Yan, Y.; Parilla, P. A.; O'Neill, K. J.; Simpson, L. J.; Heben, M. J.; Zhao, Y.; Kim, Y. -H.; Zheng, S. B.; Dillon, A. C.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Whitney, E (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM erin_whitney@nrel.gov; shengbai_zhang@nrel.gov; anne_dillon@nrel.gov NR 26 TC 0 Z9 0 U1 0 U2 2 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE BN 978-981-283-801-8 PY 2009 BP 155 EP 172 DI 10.1142/9789812838025_0015 PG 18 WC Energy & Fuels; Engineering, Chemical; Materials Science, Multidisciplinary SC Energy & Fuels; Engineering; Materials Science GA BLE72 UT WOS:000270024700015 ER PT B AU Adams, TM Korinko, PS AF Adams, Thad M. Korinko, Paul S. BE Jena, P Kandalam, A Sun, Q TI ALTERNATIVE MATERIALS TO Pd MEMBRANES FOR HYDROGEN PURIFICATION SO MATERIALS ISSUES IN A HYDROGEN ECONOMY LA English DT Proceedings Paper CT International Symposium on Materials Issues in a Hydrogen Economy CY NOV 12-15, 2007 CL Richmond, VA ID PERMEATION CHARACTERISTICS; METAL MEMBRANES; ALLOYS; SEPARATION; VANADIUM AB Development of advanced hydrogen separation membranes in support of hydrogen production processes such as coal gasification and as front end gas purifiers for fuel cell based system is paramount to the successful implementation of a national hydrogen economy. Current generation metallic hydrogen separation membranes are based on Pd-alloys. Although the technology has proven successful, at issue is the high cost of palladium. Evaluation of non-noble metal based dense metallic separation membranes is currently receiving national and international attention. The focal point of the reported work was to evaluate two different classes of materials for potential replacement of conventional Pd-alloy purification/diffuser membranes. Crystalline V-Ni-Ti and Amorphous Fe- and Co-based metallic glass alloys have been evaluated using both electrochemical and gaseous hydrogen permeation testing techniques. C1 [Adams, Thad M.; Korinko, Paul S.] Savannah River Natl Lab, Aiken, SC 29803 USA. RP Adams, TM (reprint author), Savannah River Natl Lab, Aiken, SC 29803 USA. EM paul.korinko@srnl.doe.gov NR 7 TC 0 Z9 0 U1 0 U2 1 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE BN 978-981-283-801-8 PY 2009 BP 282 EP 296 DI 10.1142/9789812838025_0027 PG 15 WC Energy & Fuels; Engineering, Chemical; Materials Science, Multidisciplinary SC Energy & Fuels; Engineering; Materials Science GA BLE72 UT WOS:000270024700027 ER PT B AU San Marchi, C Somerday, BP Nibur, KA Yip, M AF San Marchi, C. Somerday, B. P. Nibur, K. A. Yip, M. BE Jena, P Kandalam, A Sun, Q TI STRUCTURAL-METALS CONSIDERATIONS FOR THE CONTAINMENT OF HIGH-PRESSURE HYDROGEN GAS SO MATERIALS ISSUES IN A HYDROGEN ECONOMY LA English DT Proceedings Paper CT International Symposium on Materials Issues in a Hydrogen Economy CY NOV 12-15, 2007 CL Richmond, VA AB All engineering alloys are Vulnerable to hydrogen-assisted fracture (hydrogen embrittlement) under some intersection of microstructural, mechanical, and environmental conditions, thus it is important to develop a comprehensive understanding of the service conditions for a given application. In addition, quantitative assessment of structural integrity aids the management of hydrogen-assisted fracture ill structurally efficient components designed for high-pressure gaseous hydrogen. In this presentation, we describe two methods of assessing structural integrity: strength-based and fracture-control methodologies. The implications of these differing methods are briefly described in the context of hydrogen-assisted fracture. Strength-based methods lead to conservative designs based on indirect assessment of the hydrogen compatibility of materials, since hydrogen generally does not affect strength even in materials susceptible to hydrogen-assisted fracture. Fracture-control methods explicitly address failure mechanisms associated with existing defects, in particular crack extension in fatigue can be evaluated. These fracture control methods incorporate quantitative evaluation of materials properties (ie, resistance to hydrogen-assisted crack propagation) for establishing efficient structural design for hydrogen service. In general, engineering tools exist for quantitative assessment of structural integrity in high-pressure gaseous hydrogen environments using fracture control methodologies and these tools are being exploited in the engineering community. C1 [San Marchi, C.; Somerday, B. P.; Nibur, K. A.; Yip, M.] Sandia Natl Labs, Livermore, CA 94550 USA. RP San Marchi, C (reprint author), Sandia Natl Labs, 7011 East Ave, Livermore, CA 94550 USA. EM cwsanma@sandia.gov NR 10 TC 0 Z9 0 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE BN 978-981-283-801-8 PY 2009 BP 299 EP 308 PG 10 WC Energy & Fuels; Engineering, Chemical; Materials Science, Multidisciplinary SC Energy & Fuels; Engineering; Materials Science GA BLE72 UT WOS:000270024700028 ER PT B AU Blake, C AF Blake, Chad BE Jena, P Kandalam, A Sun, Q TI A NATIONAL AGENDA FOR HYDROGEN CODES AND STANDARDS SO MATERIALS ISSUES IN A HYDROGEN ECONOMY LA English DT Proceedings Paper CT International Symposium on Materials Issues in a Hydrogen Economy CY NOV 12-15, 2007 CL Richmond, VA AB This paper provides an overview of hydrogen codes and standards with an emphasis on the national effort supported and managed by the U.S. Department of Energy (DOE). With the help and cooperation of standards and model code development organizations, industry, and other interested parties, DOE has established a coordinated national agenda for hydrogen and fuel cell codes and standards. With the adoption of the Research, Development, and Demonstration Roadmap and with its implementation through the Codes and Standards Technical Team, DOE helps strengthen the scientific basis for requirements incorporated in codes and standards that, in turn, will facilitate international market receptivity for hydrogen and fuel Cell technologies. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Blake, C (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. NR 1 TC 0 Z9 0 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE BN 978-981-283-801-8 PY 2009 BP 309 EP 316 DI 10.1142/9789812838025_0029 PG 8 WC Energy & Fuels; Engineering, Chemical; Materials Science, Multidisciplinary SC Energy & Fuels; Engineering; Materials Science GA BLE72 UT WOS:000270024700029 ER PT S AU Fonda, RW Knipling, KE Bingert, JF Reynolds, AP Tang, W Colligan, KJ Wert, JA AF Fonda, Richard W. Knipling, Keith E. Bingert, John F. Reynolds, Anthony P. Tang, Wei Colligan, Kevin J. Wert, John A. BE Rollett, AD TI TEXTURE DEVELOPMENT IN ALUMINUM FRICTION STIR WELDS SO MATERIALS PROCESSING AND TEXTURE SE Ceramic Transactions LA English DT Proceedings Paper CT 15th International Conference on Textures of Materials CY JUN 01-06, 2008 CL Pittsburgh, PA SP Natl Sci Fdn, Air Force Off Sci Res, Alcoa Technical Ctr ID GRAIN-STRUCTURE; STAINLESS-STEEL; TORSION; RECRYSTALLIZATION AB This study reveals the development of texture and microstructure that occurs during friction stir welding of two aluminum alloys. Friction stir welds of single crystal aluminum and 2195 aluminum were investigated using a stop-action technique, where the microstructure surrounding the tool was preserved by immediately quenching the weld end upon completion. Plan view sections of these weld terminations reveal that slight variations in the crystallographic orientation within the base material have different susceptibilities to the shear deformation produced by the rotating tool. Similarly, the misorientations generated during subgrain development can also induce variations in the lattice rotation rate. The divergent orientations that develop can have different susceptibilities to both rotation and grain subdivision. Lattice rotations continue until achieving a readily-sheared orientation, after which no further rotation is observed. The final texture that develops near the tool corresponds to the B and (B) over bar components of the simple shear texture. In the 2195 alloy, the deposited weld also exhibits a simple shear texture, but it varies with a periodicity of the tool advance per revolution between a pure B/(B) over bar component and a mixture of the B/(B) over bar and C components. Thus, the development of textures ahead of the tool can be correlated directly to the increasing temperature and shear deformation of those regions, while the periodic texture variations of the deposited weld indicate a systematically varying component in the friction stir welding process. C1 [Fonda, Richard W.; Knipling, Keith E.] USN, Res Lab, Code 6356, Washington, DC 20375 USA. [Bingert, John F.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Reynolds, Anthony P.; Tang, Wei] Univ South Carolina, Coll Engn, Columbia, SC 29208 USA. [Colligan, Kevin J.] Concurrent Technol Corp, Harvest, AL 35749 USA. [Wert, John A.] Riso Natl Lab, DK-4000 Roskilde, Denmark. RP Fonda, RW (reprint author), USN, Res Lab, Code 6356, Washington, DC 20375 USA. RI Tang, Wei/E-3613-2017 OI Tang, Wei/0000-0002-9274-9574 FU Interuniversity Attraction Poles Program from the Belgian State through the Belgian Science Policy agency [IAP6/24] FX Financial support from the Interuniversity Attraction Poles Program from the Belgian State through the Belgian Science Policy agency, contract IAP6/24, is gratefully acknowledged. NR 33 TC 1 Z9 1 U1 1 U2 4 PU AMER CERAMIC SOC PI WESTERVILLE PA 735 CERAMIC PLACE, WESTERVILLE, OH 43081-8720 USA SN 1042-1122 BN 978-0-470-44419-1; 978-0-470-40834-6 J9 CERAM TRANS PY 2009 VL 200 BP 17 EP 28 PG 12 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA BTO68 UT WOS:000287579000012 ER PT J AU Olejniczak, I Barszcz, B Graja, A Schlueter, A AF Olejniczak, I. Barszcz, B. Graja, A. Schlueter, A. TI Optical study of beta ''-(bis(ethylenedithio)tetrathiafulvalene)(2)SF5CH2SO3 Activation of intramolecular modes SO MATERIALS SCIENCE-POLAND LA English DT Article; Proceedings Paper CT 11th International Conference on Electrical and Related Properties of Organic Solids CY JUL 13-17, 2008 CL Wroclaw Univ Technol, Wroclaw, POLAND HO Wroclaw Univ Technol DE BEDT-TTF; oganic conductor; reflectance spectra; electron-phonon interactions; charge ordering ID BETA''-(ET)(2)SF5RSO3 R; ELECTRONIC-PROPERTIES; BEDT-TTF; CONDUCTORS; COUNTERION; CHFCF2; CH2CF2 AB We report on the temperature dependences of polarized reflectance spectra of beta"-(bis(ethylene-dithio)tetrathiafulvalene)(2)SF5CH2SO3. The material remains in the charge-ordered state over the whole temperature range. Room temperature infrared spectra display the response characteristic of a quasi-two-dimensional organic conductor, with a broad mid-infrared electronic excitation and a number of vibrational features related to intramolecular modes of both the bis(ethylenedithio)tetrathiafulvalene ( ET) donor molecule and the SF5CH2SO3 anion. Upon lowering the temperature, unusual activation of intramolecular modes of ET is observed. We suggest that this effect is connected with electron-molecular vibration coupling within a dimerized lattice. C1 [Olejniczak, I.; Barszcz, B.; Graja, A.] Polish Acad Sci, Inst Mol Phys, PL-60179 Poznan, Poland. [Schlueter, A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Olejniczak, I (reprint author), Polish Acad Sci, Inst Mol Phys, Smoluchowskiego 17, PL-60179 Poznan, Poland. EM ywy@ifmpan.poznan.pl RI Barszcz, Boleslaw/N-3927-2014 NR 15 TC 1 Z9 1 U1 0 U2 3 PU OFICYNA WYDAWNICZA POLITECHNIKI WROCLAWSKIEJ PI WROCLAW PA WYBRZEZE WYSPIANSKIEGO 27, 50-370 WROCLAW, POLAND SN 0137-1339 J9 MATER SCI-POLAND JI Mater. Sci. PY 2009 VL 27 IS 3 BP 619 EP 627 PG 9 WC Materials Science, Multidisciplinary SC Materials Science GA 523PC UT WOS:000272085200002 ER PT J AU Rong, LB Perelson, AS AF Rong, Libin Perelson, Alan S. TI Asymmetric division of activated latently infected cells may explain the decay kinetics of the HIV-1 latent reservoir and intermittent viral blips SO MATHEMATICAL BIOSCIENCES LA English DT Article DE HIV-1; HAART; Latent reservoir; Viral blips; Asymmetric division; Mathematical models ID IMMUNODEFICIENCY-VIRUS TYPE-1; CD4(+) T-CELLS; LYMPHOCYTIC CHORIOMENINGITIS VIRUS; COMBINATION ANTIRETROVIRAL THERAPY; IN-VIVO; STEM-CELLS; METHYLATION PATTERNS; LIFELONG PERSISTENCE; TRANSIENT VIREMIA; IMMUNE-RESPONSES AB Most HIV-infected patients when treated with combination antiretroviral therapy achieve viral loads that are below the current limit of detection of standard assays after a few months. Despite this, virus eradication from the host has not been achieved. Latent, replication-competent HIV-1 can generally be identified in resting memory CD4(+) T cells ill patients with "undetectable" viral loads. Turnover of these cells is extremely slow but virus can be released from the latent reservoir quickly upon cessation of therapy. In addition, a number of patients experience transient episodes of viremia, or HIV-1 blips, even with suppression of the viral load to below the limit of detection for many years. The mechanisms underlying the slow decay of the latent reservoir and the occurrence of intermittent viral blips have not been fully elucidated. In this study, we address these two issues by developing a mathematical model that explores a hypothesis about latently infected cell activation. We propose that asymmetric division of latently infected cells upon sporadic antigen encounter may both replenish the latent reservoir and generate intermittent viral blips. Interestingly, we show that occasional replenishment of the latent reservoir induced by reactivation of latently infected cells may reconcile the differences between the divergent estimates of the half-life of the latent reservoir in the literature. Published by Elsevier Inc. C1 [Rong, Libin; Perelson, Alan S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Perelson, AS (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM asp@lanl.gov FU U.S. Department of Energy [DE-AC52-06NA25396]; NIH [AI28433, RR06555] FX Portions of this work were performed under the auspices of the U.S. Department of Energy under contract DE-AC52-06NA25396. This work was supported by NIH Grants AI28433 and RR06555. We thank three referees for their constructive comments that improved this manuscript. NR 81 TC 39 Z9 39 U1 1 U2 4 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0025-5564 J9 MATH BIOSCI JI Math. Biosci. PD JAN PY 2009 VL 217 IS 1 BP 77 EP 87 DI 10.1016/j.mbs.2008.10.006 PG 11 WC Biology; Mathematical & Computational Biology SC Life Sciences & Biomedicine - Other Topics; Mathematical & Computational Biology GA 399MT UT WOS:000262804700008 PM 18977369 ER PT S AU Bremer, PT Pascucci, V Hamann, B AF Bremer, Peer-Timo Pascucci, Valerio Hamann, Bernd BE Moller, T Hamann, B Russell, RD TI Maximizing Adaptivity in Hierarchical Topological Models Using Cancellation Trees SO MATHEMATICAL FOUNDATIONS OF SCIENTIFIC VISUALIZATION, COMPUTER GRAPHICS, AND MASSIVE DATA EXPLORATION SE Mathematics and Visualization LA English DT Article; Book Chapter AB We present a highly adaptive hierarchical representation of the topology of functions defined over two-manifold domains. Guided by the theory of Morse-Smale complexes, we encode dependencies between cancellations of critical points using two independent structures: a traditional mesh hierarchy to store connectivity information and a new structure called cancellation trees to encode the configuration of critical points. Cancellation trees provide a powerful method to increase adaptivity while using a simple, easy-to-implement data structure. The resulting hierarchy is significantly more flexible than the one previously reported (IEEE Trans. Vis. Comput. Graph. 10(4):385-396, 2004). In particular, the resulting hierarchy is guaranteed to be of logarithmic height. C1 [Bremer, Peer-Timo] Univ Illinois, Dept Comp Sci, Urbana, IL 61801 USA. [Pascucci, Valerio] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA USA. [Hamann, Bernd] Univ Calif Davis, Dept Comp Sci, Inst Data Anal & Visualizat, Davis, CA 95616 USA. RP Bremer, PT (reprint author), Univ Illinois, Dept Comp Sci, 1304 W Springfield Ave, Urbana, IL 61801 USA. EM ptbremer@acm.org; pascucci@llnl.gov; hamann@cs.ucdavis.edu NR 24 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1612-3786 BN 978-3-540-25076-0 J9 MATH VIS PY 2009 BP 1 EP 18 DI 10.1007/b106657_1 D2 10.1007/b106657 PG 18 WC Computer Science, Artificial Intelligence; Mathematics, Applied; Imaging Science & Photographic Technology SC Computer Science; Mathematics; Imaging Science & Photographic Technology GA BKW55 UT WOS:000269474300001 ER PT S AU Gregorski, B Senecal, J Duchaineau, M Joy, KI AF Gregorski, Benjamin Senecal, Joshua Duchaineau, Mark Joy, Kenneth I. BE Moller, T Hamann, B Russell, RD TI Compression and Occlusion Culling for Fast Isosurface Extraction from Massive Datasets SO MATHEMATICAL FOUNDATIONS OF SCIENTIFIC VISUALIZATION, COMPUTER GRAPHICS, AND MASSIVE DATA EXPLORATION SE Mathematics and Visualization LA English DT Article; Book Chapter AB We present two algorithms for data compression and occlusion culling that improve interactive, adaptive isosurface extraction from large volume datasets. Our algorithm, based on hierarchical tetrahedral meshes defined by longest edge bisection, allows arbitrary isosurfaces to be adaptively extracted at interactive rates from losslessly compressed volumes where the region of interest, determined at runtime by user interaction, is decompressed on-the-fly. For interactive applications, we exploit frame-to-frame coherence between consecutive views to simplify the mesh structure in occluded regions and eliminate occluded triangles significantly reducing the complexity of the Visualized surface and the underlying multiresolution volume representation. We extend the use of hardware accelerated occlusion queries to adaptive isosurface extraction applications where the surface geometry and topology change with the level-of-detail and view-point and the user can select an arbitrary isovalue for visualization. C1 [Gregorski, Benjamin; Senecal, Joshua; Duchaineau, Mark] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. [Joy, Kenneth I.] Univ Calif Davis, Dept Comp Sci, Inst Data Anal & Visualizat, Davis, CA 95616 USA. RP Gregorski, B (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, 7000 E Ave, Livermore, CA 94551 USA. EM bfgregorski@ucdavis.edu; senecall@llnl.gov; duchaine@llnl.gov; kijoy@ucdavis.edu NR 37 TC 3 Z9 3 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1612-3786 BN 978-3-540-25076-0 J9 MATH VIS PY 2009 BP 303 EP 323 DI 10.1007/b106657_16 D2 10.1007/b106657 PG 21 WC Computer Science, Artificial Intelligence; Mathematics, Applied; Imaging Science & Photographic Technology SC Computer Science; Mathematics; Imaging Science & Photographic Technology GA BKW55 UT WOS:000269474300016 ER PT S AU Shah, N Dillard, SE Weber, GH Hamann, B AF Shah, Nameeta Dillard, Scott E. Weber, Gunther H. Hamann, Bernd BE Moller, T Hamann, B Russell, RD TI Volume Visualization of Multiple Alignment of Large Genomic DNA SO MATHEMATICAL FOUNDATIONS OF SCIENTIFIC VISUALIZATION, COMPUTER GRAPHICS, AND MASSIVE DATA EXPLORATION SE Mathematics and Visualization LA English DT Article; Book Chapter ID SEQUENCE ALIGNMENTS; SCL LOCI; RESOURCES; REGIONS; TOOLS; VISTA AB Genomes of hundreds of species have been sequenced to date, and many more are being sequenced. As more and more sequence data sets become available, and as the challenge of comparing these massive "billion basepair DNA sequences" becomes substantial, so does the need for more powerful tools supporting the exploration of these data sets. Similarity score data used to compare aligned DNA sequences is inherently one-dimensional. One-dimensional (1D) representations of these data sets do not effectively utilize screen real estate. As a result, tools using 1D representations are incapable of providing informatory overview for extremely large data sets. We present a technique to arrange 1D data in 3D space to allow us to apply state-of-the-art interactive volume visualization techniques for data exploration. We demonstrate our technique using multi-millions-basepair-long aligned DNA sequence data and compare it with traditional 1D line plots. The results show that our technique is superior in providing an overview of entire data sets. Our technique, coupled with 1D line plots, results in effective multi-resolution visualization of very large aligned sequence data sets. C1 [Shah, Nameeta; Dillard, Scott E.; Weber, Gunther H.; Hamann, Bernd] Univ Calif Davis, Dept Comp Sci, IDAV, Davis, CA 95616 USA. [Shah, Nameeta; Weber, Gunther H.; Hamann, Bernd] Univ Calif Berkeley, Lawrence Berkeley Lab, Visualizat Grp, NERSC, Berkeley, CA 94720 USA. RP Shah, N (reprint author), Univ Calif Davis, Dept Comp Sci, IDAV, 1 Shields Ave, Davis, CA 95616 USA. EM nyshah@ucdavis.edu; sedilla@ucdavis.edu; ghweber@ucdavis.edu; bhamann@ucdavis.edu; bhamann@ucdavis.edu NR 27 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1612-3786 BN 978-3-540-25076-0 J9 MATH VIS PY 2009 BP 325 EP 342 DI 10.1007/b106657_17 PG 18 WC Computer Science, Artificial Intelligence; Mathematics, Applied; Imaging Science & Photographic Technology SC Computer Science; Mathematics; Imaging Science & Photographic Technology GA BKW55 UT WOS:000269474300017 ER PT J AU Coburn, TC McKenna, SA Saito, H AF Coburn, Timothy C. McKenna, Sean A. Saito, Hirotaka TI Strip Transect Sampling to Estimate Object Abundance in Homogeneous and Non-homogeneous Poisson Fields: a Simulation Study of the Effects of Changing Transect Width and Number SO MATHEMATICAL GEOSCIENCES LA English DT Article DE Strip transect sampling; Unexploded ordnance; Object abundance; Spatial Poisson field; Design-based computer simulation ID DENSITY AB This paper investigates the use of strip transect sampling to estimate object abundance when the underlying spatial distribution is assumed to be Poisson. A design-based rather than model-based approach to estimation is investigated through computer simulation, with both homogeneous and non-homogeneous fields representing individual realizations of spatial point processes being considered. Of particular interest are the effects of changing the number of transects and transect width (or alternatively, coverage percent or fraction) on the quality of the estimate. A specific application to the characterization of unexploded ordnance (UXO) in the subsurface at former military firing ranges is discussed. The results may be extended to the investigation of outcrop characteristics as well as subsurface geological features. C1 [Coburn, Timothy C.] Abilene Christian Univ, Dept Management Sci, Abilene, TX 79699 USA. [McKenna, Sean A.] Sandia Natl Labs, Geosci Res & Applicat Grp, Albuquerque, NM 87185 USA. [Saito, Hirotaka] Tokyo Univ Agr & Technol, Dept Ecoreg Sci, Fuchu, Tokyo 1838509, Japan. RP Coburn, TC (reprint author), Abilene Christian Univ, Dept Management Sci, POB 29315, Abilene, TX 79699 USA. EM tim.coburn@coba.acu.edu; samcken@sandia.gov; hiros@cc.tuat.ac.jp FU SERDP [UX-1200]; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was funded by the Strategic Environmental Research and Development Program ( SERDP) as project UX-1200. 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 26 TC 1 Z9 1 U1 1 U2 7 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1874-8961 J9 MATH GEOSCI JI Math Geosci. PD JAN PY 2009 VL 41 IS 1 BP 51 EP 70 DI 10.1007/s11004-008-9179-z PG 20 WC Geosciences, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Geology; Mathematics GA 392PZ UT WOS:000262316000005 ER PT S AU Porter, R Zimmer, GB Hush, D AF Porter, Reid Zimmer, G. Beate Hush, Don BE Wilkinson, MHF Roerdink, JBTM TI Stack Filter Classifiers SO MATHEMATICAL MORPHOLOGY AND ITS APPLICATION TO SIGNAL AND IMAGE PROCESSING SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 9th International Symposium on Mathematical Morphology CY AUG 24-27, 2009 CL Univ Groningen, Inst Math & Comp Sci, Groningen, NETHERLANDS HO Univ Groningen, Inst Math & Comp Sci AB Stack Filters define a large class of increasing filter that is used used widely in image and signal processing. The motivations for using an increasing filter instead of an unconstrained filter have been described as: 1) fast and efficient implementation, 2) the relationship to mathematical morphology and 3) more precise estimation with finite sample data. This last motivation is related to methods developed in machine learning and the relationship was explored in (I]. In this paper we investigate this relationship by applying Stack Filters directly to classification problems. This provides a new perspective on how monotonicity constraints can help control estimation errors, and also suggests new learning algorithms for Boolean function classifiers when they are applied to real-valued inputs. C1 [Porter, Reid; Hush, Don] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. [Zimmer, G. Beate] Texas A&M Univ, Dept Math & Stat, College Stn, TX 77843 USA. RP Porter, R (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. EM rporter@lanl.gov; Beate.Zimmer@tamucc.edu; dhush@lanl.gov NR 12 TC 2 Z9 2 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-03612-5 J9 LECT NOTES COMPUT SC PY 2009 VL 5720 BP 282 EP + PG 3 WC Computer Science, Information Systems; Computer Science, Software Engineering; Computer Science, Theory & Methods; Mathematics, Applied SC Computer Science; Mathematics GA BLD06 UT WOS:000269941000026 ER PT J AU Massoudi, M Tran, PX Wulandana, R AF Massoudi, Mehrdad Tran, Phuoc X. Wulandana, R. TI Convection-Radiation Heat Transfer in a Nonlinear Fluid with Temperature-Dependent Viscosity SO MATHEMATICAL PROBLEMS IN ENGINEERING LA English DT Article ID NON-NEWTONIAN FLUID; GENERALIZED 2ND-GRADE FLUID; VISCOUS DISSIPATION; THERMAL-RADIATION; VARIABLE VISCOSITY; DIFFERENTIAL TYPE; STRETCHING SHEET; FLOW; PLATES; FRAMEWORK AB We will study the fully developed flow of a generalized second-grade fluid down an inclined plane. The viscosity is not only a function of the shear rate (shear-thinning or shear-thickening) but also depends on the temperature in an exponential way. The effects of radiation boundary condition at the free surface are considered. The boundary value problem is solved numerically, and the velocity and temperature profiles are obtained for various dimensionless numbers. Copyright (C) 2009 Mehrdad Massoudi et al. C1 [Massoudi, Mehrdad; Tran, Phuoc X.] US DOE, NETL, Pittsburgh, PA 15236 USA. [Wulandana, R.] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA. RP Massoudi, M (reprint author), US DOE, NETL, POB 10940, Pittsburgh, PA 15236 USA. EM mehrdad.massoudi@netl.doe.gov NR 47 TC 2 Z9 2 U1 0 U2 0 PU HINDAWI PUBLISHING CORPORATION PI NEW YORK PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA SN 1024-123X J9 MATH PROBL ENG JI Math. Probl. Eng. PY 2009 AR 232670 DI 10.1155/2009/232670 PG 15 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Engineering; Mathematics GA 485MK UT WOS:000269127200001 ER PT J AU Bacon, DJ Osetsky, YN AF Bacon, David J. Osetsky, Yuri N. TI Dislocation-Obstacle Interactions at Atomic Level in Irradiated Metals SO MATHEMATICS AND MECHANICS OF SOLIDS LA English DT Article DE Dislocations; radiation damage; computer simulation; dislocation obstacles; atomic-scale ID STACKING-FAULT TETRAHEDRON; MOLECULAR-DYNAMICS SIMULATIONS; 111 SCREW DISLOCATION; ALPHA-IRON; COMPUTER-SIMULATION; DISPLACEMENT CASCADES; INTERSTITIAL CLUSTERS; DEFECT INTERACTIONS; EDGE DISLOCATIONS; CORE STRUCTURE AB Nano-scale defect clusters, such as voids, dislocation loops, stacking-fault tetrahedra and irradiation-induced precipitates, are produced in metals by irradiation with high-energy atomic particles. They are obstacles to dislocation glide and can give rise to substantial changes in the yield and flow stresses and ductility. Atomic-scale computer simulation is able to provide detail of how these effects are influenced by obstacle structure, applied stress, strain rate and temperature. Some recent results from modelling dislocations interacting with obstacles are described. Emphasis is placed on dislocation interaction with voids, copper precipitates and dislocation loops in the BCC metal iron and stacking fault tetrahedra in FCC copper. In the latter case, the importance of surfaces in reactions in TEM foils is highlighted. It is shown that while some atomic processes can be represented adequately by the continuum theory of crystal defects, others cannot. C1 [Bacon, David J.] Univ Liverpool, Dept Engn, Liverpool L69 3GH, Merseyside, England. [Osetsky, Yuri N.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. RP Bacon, DJ (reprint author), Univ Liverpool, Dept Engn, Brownlow Hill, Liverpool L69 3GH, Merseyside, England. OI Osetskiy, Yury/0000-0002-8109-0030 FU Division of Materials Sciences and Engineering; U. S. Department of Energy [DE-AC05-00OR22725] FX The authors thank Dr David Rodney for his collaboration with the results in Section 5. The research described here was supported by a grant from the UK Engineering and Physical Science Research Council and sponsored by the Division of Materials Sciences and Engineering, U. S. Department of Energy, under contract DE-AC05-00OR22725 with UT-Battelle, LLC. NR 44 TC 14 Z9 14 U1 9 U2 44 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1081-2865 J9 MATH MECH SOLIDS JI Math. Mech. Solids PD JAN PY 2009 VL 14 IS 1-2 BP 270 EP 283 DI 10.1177/1081286508092615 PG 14 WC Materials Science, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Materials Science; Mathematics; Mechanics GA 394AY UT WOS:000262418800019 ER PT J AU Olsson, RH El-Kady, I AF Olsson, R. H., III El-Kady, I. TI Microfabricated phononic crystal devices and applications SO MEASUREMENT SCIENCE AND TECHNOLOGY LA English DT Review DE acoustic bandgap; acoustic crystal; bulk acoustic wave; elastic bandgap; elastic crystal; microelectromechanical systems; microsystems; phononic bandgap; phononic crystal; sonic bandgap; sonic crystal; surface acoustic wave ID ACOUSTIC BAND-GAPS; WAVE-GUIDES; FREQUENCY; TECHNOLOGY; ARRAYS AB Phononic crystals are the acoustic wave analogue of photonic crystals. Here a periodic array of scattering inclusions located in a homogeneous host material forbids certain ranges of acoustic frequencies from existence within the crystal, thus creating what are known as acoustic bandgaps. The majority of previously reported phononic crystal devices have been constructed by hand, assembling scattering inclusions in a viscoelastic medium, predominantly air, water or epoxy, resulting in large structures limited to frequencies below 1 MHz. Recently, phononic crystals and devices have been scaled to VHF (30-300 MHz) frequencies and beyond by utilizing microfabrication and micromachining technologies. This paper reviews recent developments in the area of micro-phononic crystals including design techniques, material considerations, microfabrication processes, characterization methods and reported device structures. Micro-phononic crystal devices realized in low-loss solid materials are emphasized along with their potential application in radio frequency communications and acoustic imaging for medical ultrasound and nondestructive testing. The reported advances in batch micro-phononic crystal fabrication and simplified testing promise not only the deployment of phononic crystals in a number of commercial applications but also greater experimentation on a wide variety of phononic crystal structures. C1 [Olsson, R. H., III; El-Kady, I.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Olsson, RH (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM rholsso@sandia.gov RI El-Kady, Ihab/D-2886-2013 OI El-Kady, Ihab/0000-0001-7417-9814 NR 48 TC 135 Z9 137 U1 15 U2 117 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0957-0233 EI 1361-6501 J9 MEAS SCI TECHNOL JI Meas. Sci. Technol. PD JAN PY 2009 VL 20 IS 1 AR 012002 DI 10.1088/0957-0233/20/1/012002 PG 13 WC Engineering, Multidisciplinary; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA 382TH UT WOS:000261627800003 ER PT J AU Dunne, PG Monahan, FJ O'Mara, FP Moloney, AP AF Dunne, P. G. Monahan, F. J. O'Mara, F. P. Moloney, A. P. TI Colour of bovine subcutaneous adipose tissue: A review of contributory factors, associations with carcass and meat quality and its potential utility in authentication of dietary history SO MEAT SCIENCE LA English DT Review DE Colour; Bovine; Subcutaneous adipose tissue; Carcass fat; Carotenoids ID FATTY-ACID-COMPOSITION; CONJUGATED LINOLEIC-ACID; CONCENTRATE-BASED DIETS; M-LONGISSIMUS-DORSI; PRESSURE LIQUID-CHROMATOGRAPHY; VITAMIN-E SUPPLEMENTATION; GRAIN-FINISHED BEEF; HIGH-ENERGY DIET; BETA-CAROTENE; GRASS-SILAGE AB The colour of bovine subcutaneous (sc) adipose tissue (carcass fat) depends on the age, gender and breed of cattle. Diet is the most important extrinsic factor but its influence depends on the duration of feeding. Cattle produced under extensive grass-based production systems generally have carcass fat which is more yellow than their intensively-reared, concentrate-fed counterparts and this is caused by carotenoids from green forage. Although yellow carcass fat is negatively regarded in many countries, evidence suggests it may be associated with a healthier fatty acid profile and antioxidant content in beef, synonymous with grass feeding. Nonetheless, management strategies to reduce fat colour of grass-fed cattle are sought after. Current research suggests that yellow colour of this tissue is reduced if pasture-fed cattle are converted to a grain-based diet, which results in accretion of adipose tissue and dilution of carotenoids. Colour changes may depend on the initial yellow colour, the carotene and utilisable energy in the finishing diet, the duration of finishing, the amount of fat accumulated during finishing and the rate of utilisation of carotene from body fat. Differences in nutritional strategies which cause differences in fatty acid composition may be reflected by differences in fat colour and carotenoid concentration. Fat colour and carotenoids are prominent among a panoply of measurements which can aid the authentication of the dietary history and thus to some extent, the origin of beef, although this potential utility is complicated by the simultaneous rather than discrete use of forages and concentrates in real production systems. (C) 2008 Elsevier Ltd. All rights reserved. C1 [Dunne, P. G.] TEAGASC, Ashtown Food Res Ctr, Dublin 15, Ireland. [Monahan, F. J.] Natl Univ Ireland Univ Coll Dublin, Coll Life Sci, Sch Agr Food Sci & Vet Med, Dublin 4, Ireland. [O'Mara, F. P.] TEAGASC, Oak Pk Res Ctr, Carlow, Ireland. [Moloney, A. P.] Grange Beef Res Ctr, Dunsany, Meath, Ireland. RP Dunne, PG (reprint author), TEAGASC, Ashtown Food Res Ctr, Dublin 15, Ireland. EM peter.dunne@teagasc.ie NR 166 TC 50 Z9 54 U1 0 U2 21 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0309-1740 J9 MEAT SCI JI Meat Sci. PD JAN PY 2009 VL 81 IS 1 BP 28 EP 45 DI 10.1016/j.meatsci.2008.06.013 PG 18 WC Food Science & Technology SC Food Science & Technology GA 372UU UT WOS:000260928300004 PM 22063959 ER PT J AU Makhecha, DP Kapania, RK Johnson, ER Dillard, DA Jacob, GC Starbuck, JM AF Makhecha, Dhaval P. Kapania, Rakesh K. Johnson, Eric R. Dillard, David A. Jacob, George C. Starbuck, J. Mike TI Rate-Dependent Cohesive Zone Modeling of Unstable Crack Growth in an Epoxy Adhesive SO MECHANICS OF ADVANCED MATERIALS AND STRUCTURES LA English DT Article DE cohesive zone modeling; rate-dependent epoxy behavior; unstable crack growth ID AUTOMOTIVE ADHESIVES; DURABILITY BEHAVIOR; DEBONDING PROCESSES; FRACTURE; COMPOSITES; FATIGUE; JOINTS; IDENTIFICATION; SIMULATION AB This paper presents the development and numerical implementation of a rate-dependent fracture model of an epoxy adhesive. Previous mode I fracture tests conducted under quasi-static, displacement controlled loading of an aluminum double cantilever beam (DCB) bonded with the epoxy exhibited unstable crack growth in the adhesive. Results from mode I fracture tests of compact tension specimens made from bulk adhesive at increasing cross head opening speeds are reported in this paper. The compact tension tests results showed a decreasing critical strain energy release rate with increasing cross head speed, with the critical energy release rate at 1 m/s cross head speed equal to about 20% of its quasi-static value. Two rate-dependent cohesive zone models are formulated based on the compact tension test data. A cohesive de-cohesive relationship was postulated between the tractions acting across the crack faces and the opening displacement and opening velocity. These rate-dependent cohesive zone models are implemented in an interface finite element to model discrete crack growth in the adhesive. The reaction force history from simulation of the DCB test is in good agreement with the test data using only the rate-dependent interface element to model the adhesive. C1 [Makhecha, Dhaval P.; Kapania, Rakesh K.; Johnson, Eric R.] Virginia Polytech Inst & State Univ, Dept Aerosp & Ocean Engn, Blacksburg, VA 24061 USA. [Dillard, David A.] Virginia Tech, Dept Engn Sci & Mech, Blacksburg, VA 24061 USA. [Jacob, George C.] Univ Tennessee, Knoxville, TN USA. [Starbuck, J. Mike] Oak Ridge Natl Lab, Div Met & Ceram, Oakridge, TN USA. RP Kapania, RK (reprint author), Virginia Tech, Dept Aerosp & Ocean Engn, 215 Randolph Hall, Blacksburg, VA 24061 USA. EM dmakhech@vt.edu RI Dillard, David/C-3185-2012; Starbuck, James/E-1442-2017 OI Dillard, David/0000-0002-2903-9318; Starbuck, James/0000-0002-3814-9156 FU Automotive Composite Consortium's Department of Energy Cooperative Agreement [DE-FC0595-OR22363] FX The authors would like to thank the project monitor Dr. Naveen Rastogi for technical discussions held with him. We also acknowledge that this research is supported, in whole or in part, by the Automotive Composite Consortium's Department of Energy Cooperative Agreement No. DE-FC0595-OR22363. Such support does not constitute an endorsement by the Department of Energy of the views expressed herein. NR 21 TC 2 Z9 3 U1 0 U2 15 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 1537-6494 J9 MECH ADV MATER STRUC JI Mech. Adv. Mater. Struct. PY 2009 VL 16 IS 1 BP 12 EP 19 AR PII 907457516 DI 10.1080/15376490802540556 PG 8 WC Materials Science, Multidisciplinary; Mechanics; Materials Science, Characterization & Testing; Materials Science, Composites SC Materials Science; Mechanics GA 392IU UT WOS:000262297200002 ER PT J AU Pawelec, G Bohr, V Campisi, J AF Pawelec, G. Bohr, V. Campisi, J. TI Special issue on cancer and ageing SO MECHANISMS OF AGEING AND DEVELOPMENT LA English DT Editorial Material C1 [Pawelec, G.] Univ Tubingen, Med Res Ctr, ZMF, D-72072 Tubingen, Germany. [Bohr, V.] NIA, Mol Gerontol Branch, Biomed Res Ctr, NIH, Baltimore, MD 21224 USA. [Campisi, J.] Lawrence Berkeley Natl Lab, Berkeley, CA USA. RP Pawelec, G (reprint author), Univ Tubingen, Med Res Ctr, ZMF, Waldhornlestr 22, D-72072 Tubingen, Germany. EM graham.pawelec@uni-tuebingen.de FU Intramural NIH HHS [ZIA AG000729-22] NR 0 TC 3 Z9 4 U1 0 U2 0 PU ELSEVIER IRELAND LTD PI CLARE PA ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND SN 0047-6374 J9 MECH AGEING DEV JI Mech. Ageing Dev. PD JAN-FEB PY 2009 VL 130 IS 1-2 BP 1 EP 2 DI 10.1016/j.mad.2008.11.002 PG 2 WC Cell Biology; Geriatrics & Gerontology SC Cell Biology; Geriatrics & Gerontology GA 407XT UT WOS:000263398300001 PM 19059279 ER PT B AU Wright, AD Fingersh, LJ Stol, KA AF Wright, Alan D. Fingersh, Lee J. Stol, Karl A. GP IEEE TI Testing Controls to Mitigate Fatigue Loads in the Controls Advanced Research Turbine SO MED: 2009 17TH MEDITERRANEAN CONFERENCE ON CONTROL & AUTOMATION, VOLS 1-3 LA English DT Proceedings Paper CT 17th Mediterranean Conference on Control and Automation CY JUN 24-26, 2009 CL Thessaloniki, GREECE ID WIND TURBINES; DESIGN AB Wind turbines are complex, nonlinear, dynamic systems forced by aerodynamic, gravitational, centrifugal, and gyroscopic loads. The aerodynamics of wind turbines is nonlinear, unsteady, and complex. Turbine rotors are subjected to a complicated three-dimensional (3-D) turbulent wind inflow field with imbedded coherent vortices that drive fatigue loads and reduce lifetime. Design of control algorithms for wind turbines must account for multiple control objectives. Future large multi-megawatt turbines must be designed with lighter weight structures, using active controls to mitigate fatigue loads, maximize energy capture, and add active damping to maintain stability for these dynamically active structures operating in a complex environment. Researchers at the National Renewable Energy Laboratory are designing, implementing, and testing advanced controls to maximize energy extraction and reduce structural dynamic loads. These control designs are based on a linear model of the turbine that is generated by specialized modeling software. This paper describes testing of a control algorithm to mitigate blade, tower, and drivetrain loads using advanced state-space control methods. The controller uses independent blade pitch to regulate the turbine's speed in Region 3, mitigate the effects of shear across the rotor disk, and add active damping to the tower's first fore-aft bending mode. Additionally, a separate generator torque control loop is designed to add active damping to the tower's first side-side mode and the first drivetrain-torsion mode. This paper discusses preliminary implementation and field tests of this controller in the Controls Advanced Research Turbine at the National Renewable Energy Laboratory. Also included are preliminary comparisons of the performance of this controller to results from a typical baseline Proportional-Integral-Derivative controller designed with just Region 3 speed regulation as the goal. C1 [Wright, Alan D.; Fingersh, Lee J.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Stol, Karl A.] Univ Auckland, Dept Mech Engn, Auckland, New Zealand. RP Wright, AD (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM Alan.Wright@nrel.gov; Lee.Fingersh@nrel.gov; k.stol@auckland.ac.nz FU Department of Energy FX The authors thank our NREL managers for supporting us in this work. We also thank the Department of Energy for providing funding for this work. We also would like to thank Marshall Buhl at NREL for his work in writing the MCrunch scripts for processing this test data. Finally, we greatly thank Garth Johnson and Scott Wilde of NREL for their unending efforts in making sure the CART machine was operational for this study. NR 18 TC 9 Z9 9 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4244-4684-1 PY 2009 BP 1275 EP 1282 DI 10.1109/MED.2009.5164722 PG 8 WC Automation & Control Systems SC Automation & Control Systems GA BQC63 UT WOS:000280699600218 ER PT S AU Hanson, KM AF Hanson, Kenneth M. BE Sahiner, B Manning, DJ TI Performance-based assessment of reconstructed images SO MEDICAL IMAGING 2009: IMAGE PERCEPTION, OBSERVER PERFORMANCE, AND TECHNOLOGY ASSESSMENT SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Medical Imaging - Image Perception, Observer Performance, and Technology Assessment CY FEB 11-12, 2009 CL CAD, Lake Buena Vista, FL SP SPIE HO CAD DE tomographic reconstruction; assessment of image quality; Rayleigh discrimination task; ROC analysis; human observer; machine observer; entropic prior; ART reconstruction algorithm; MEMSYS; Robert Wagner ID OBSERVER; NOISE; TASK AB During the early 90s, I engaged in a productive and enjoyable collaboration with Robert Wagner and his colleague, Kyle Myers. We explored the ramifications of the principle that the quality of an image should be assessed on the basis of how well it facilitates the performance of appropriate visual tasks. We applied this principle to algorithms used to reconstruct scenes from incomplete and/or noisy projection data. For binary visual tasks, we used both the conventional disk detection and a new challenging task, inspired by the Rayleigh resolution criterion, of deciding whether an object was a blurred version of two dots or a bar. The results of human and machine observer tests were summarized with the detectability index based on the area under the ROC curve. We investigated a variety of reconstruction algorithms, including ART, with and without a nonnegativity constraint, and the MEMSYS3 algorithm. We concluded that the performance of the Raleigh task was optimized when the strength of the prior was near MEMSYS's default "classic" value for both human and machine observers. A notable result was that the most-often-used metric of rms error in the reconstruction was not necessarily indicative of the value of a reconstructed image for the purpose of performing visual tasks. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Hanson, KM (reprint author), Los Alamos Natl Lab, MS B283, Los Alamos, NM 87545 USA. EM kmh@lanl.gov NR 25 TC 0 Z9 0 U1 0 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7514-5 J9 PROC SPIE PY 2009 VL 7263 AR 72630G DI 10.1117/12.817793 PG 8 WC Imaging Science & Photographic Technology; Radiology, Nuclear Medicine & Medical Imaging SC Imaging Science & Photographic Technology; Radiology, Nuclear Medicine & Medical Imaging GA BAZ41 UT WOS:000306174400015 ER PT J AU Thykaer, J Andersen, MR Baker, SE AF Thykaer, Jette Andersen, Mikael R. Baker, Scott E. TI Essential pathway identification: from in silico analysis to potential antifungal targets in Aspergillus fumigatus SO MEDICAL MYCOLOGY LA English DT Article DE Aspergillus; antifungal; essential genes; computational ID HOMOLOGOUS TRANSFORMATION SYSTEM; METHYLCITRATE SYNTHASE; INVASIVE ASPERGILLOSIS; ATTENUATED VIRULENCE; PYRG-GENE; GENOME; NIGER; INTEGRATION; DISRUPTION; NIDULANS AB Computational metabolic flux modeling has been a great aid for both understanding and manipulating microbial metabolism. A previously developed metabolic flux model for Aspergillus niger, an economically important biotechnology fungus known for protein and organic acid production, is comprised of 1190 biochemically unique reactions that are associated with 871 open reading frames. Through a systematic in silico deletion of single metabolic reactions using this model, several essential metabolic pathways were identified for A. niger. A total of 138 reactions were identified as being essential biochemical reactions during growth on a minimal glucose medium. The majority of the reactions grouped into essential biochemical pathways covering cell wall biosynthesis, amino acid biosynthesis, energy metabolism and purine and pyrimidine metabolism. Based on the A. niger open reading frames associated with the reactions, we identified orthologous candidate essential genes in Aspergillus fumigatus. Our predictions are validated in part by the modes of action for some antifungal drugs and by molecular genetic studies of essential genes in A. fumigatus and other fungi. The use of metabolic models to predict essential reactions and pathways in Aspergillus spp. has promise to inform reverse genetic studies of gene essentiality and identify potential targets for antifungal development. C1 [Baker, Scott E.] Pacific NW Natl Lab, Chem & Biol Proc Dev Grp, Richland, WA 99352 USA. [Thykaer, Jette; Andersen, Mikael R.] Tech Univ Denmark, Ctr Microbial Biotechnol, Dept Syst Biol, DK-2800 Lyngby, Denmark. RP Baker, SE (reprint author), Pacific NW Natl Lab, Chem & Biol Proc Dev Grp, Richland, WA 99352 USA. EM scott.baker@pnl.gov RI Andersen, Mikael/F-9377-2013 OI Andersen, Mikael/0000-0003-4794-6808 FU The Danish Research Council for Technology and Production Sciences; US Department of Energy's (DOE); University of California; Lawrence Livermore National Laboratory [W-7405-Eng-48]; Lawrence Berkeley National Laboratory [DE-AC03-76SF00098]; Los Alamos National Laboratory [W-7405-ENG-36] FX The Danish Research Council for Technology and Production Sciences is acknowledged for financial support. The Aspergillus niger genome project was performed under the auspices of the US Department of Energy's (DOE) Office of Science, Biological and Environmental Research Program and the University of California, Lawrence Livermore National Laboratory under Contract No. W-7405-Eng-48, Lawrence Berkeley National Laboratory under contract No. DE-AC03-76SF00098 and Los Alamos National Laboratory under contract No. W-7405-ENG-36. The US DOE Energy Efficiency and Renewable Energy Office of the Biomass Program provided support for Pacific Northwest National Laboratory analysis of the Aspergillus niger genome sequence. NR 27 TC 5 Z9 37 U1 1 U2 6 PU INFORMA HEALTHCARE PI LONDON PA TELEPHONE HOUSE, 69-77 PAUL STREET, LONDON EC2A 4LQ, ENGLAND SN 1369-3786 J9 MED MYCOL JI Med. Mycol. PY 2009 VL 47 SU 1 BP S80 EP S87 AR PII 909143397 DI 10.1080/13693780802455305 PG 8 WC Infectious Diseases; Mycology; Veterinary Sciences SC Infectious Diseases; Mycology; Veterinary Sciences GA 435RZ UT WOS:000265362300011 PM 19253142 ER PT J AU Williams, PT AF Williams, Paul T. TI Incident Hypercholesterolemia in Relation to Changes in Vigorous Physical Activity SO MEDICINE AND SCIENCE IN SPORTS AND EXERCISE LA English DT Article DE HIGH CHOLESTEROL; PREVENTION; RUNNING; EPIDEMIOLOGY ID RANDOMIZED-CONTROLLED-TRIALS; HEART-DISEASE RISK; WEIGHT-GAIN; AEROBIC EXERCISE; MALE RUNNERS; BASE-LINE; WOMEN; MEN; HYPERTENSION; LIPIDS AB WILLIAMS, P. T. Incident Hypercholesterolemia in Relation to Changes in Vigorous Physical Activity. Med. Sci. Sports Exerc., Vol. 41, No. 1, pp. 73-80, 2009. Purpose: Test whether changes in vigorous exercise affect the risk for hypercholesterolemia. Methods: Incident physician-diagnosed hypercholesterolemia was compared in recreational runners whose weekly distances run increased>0.5 km.d(-1) (4034 men, 1897 women), remained constant(+/-0.5 km.d(-1); 4685 men, 1904 women), or decreased>0.5 km.d(-1) (15,678 men, 6224 women) during 7.8 yr of prospective follow-up. Results: Relative to those whose distance was maintained or reduced, the odds ratio (95% confidence interval) for hypercholesterolemia for those whose running increased was significantly less than 1 for men {0.82 (0.72-0.93), P = 0.0006}, women {0.71 (0.54-0.92), P = 0.01}, and men and women combined adjusted for sex {0.80 (0.72-0.89) P < 0.0001}, The significance of the odds ratios was somewhat diminished when adjusted for baseline and follow-up BMI in men {0.89 (0.79-1.01), P = 0.06}, women {0.71 (0.54-0.92) P = 0.08}, and the adjusted sexes combined {0.88 (0.79-0.98), P = 0.02}. When average distance run {i.e., (baseline + follow-up) / 2} was compared with incident hypercholesterolemia in the 6589 runners whose distance remained constant, each kilometer-per-day increment in average running distance was associated with an odds ratio significantly less than 1 in men {0.90 (0.86-0.93)}, women {0.91 (0.84-0.98)}, and the adjusted sexes combined {0.90 (0.87-0.93)}, which was also attributable in part to BMI in men {0.94 (0.90-0.97), P = 0.0005}, women {0.96 (0.89-1.04) P = 0.35}, and the adjusted sexes combined {0.94 (0.91-0.97), P = 0.0003}. Conclusions: The odds for hypercholesterolemia 1) decrease in runners who increase their running mileage and 2) decline in association with the higher dose of vigorous activity even in the absence of any change in exercise. These effects are associated in part to the runners' BMI. C1 Ernest Orlando Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Williams, PT (reprint author), Ernest Orlando Lawrence Berkeley Natl Lab, Div Life Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM ptwilliams@lbl.gov FU National Heart Lung and Blood Institute [HL-45652, HL-072110, AG-032004]; Department of Energy [DE-AC03-76SF00098] FX This study was supported in part by grants HL-45652, HL-072110, and AG-032004 from the National Heart Lung and Blood Institute and was conducted at the Ernest Orlando Lawrence Berkeley Laboratory (Department of Energy DE-AC03-76SF00098 to the University of California). The authors thank Ms. Kathryn Hoffman for her assistance in conducting this study. There are no conflicts of interest to report. The results of the present study do not constitute endorsement by ACSM. NR 27 TC 6 Z9 6 U1 0 U2 2 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0195-9131 J9 MED SCI SPORT EXER JI Med. Sci. Sports Exerc. PD JAN PY 2009 VL 41 IS 1 BP 73 EP 80 DI 10.1249/MSS.0b013e3181831417 PG 8 WC Sport Sciences SC Sport Sciences GA 390TU UT WOS:000262187400007 PM 19092705 ER PT S AU Phillips, CM McDonald, KL Dernburg, AF AF Phillips, Carolyn M. McDonald, Kent L. Dernburg, Abby F. BE Keeney, S TI Cytological Analysis of Meiosis in Caenorhabditis elegans SO MEIOSIS, VOL 2: CYTOLOGICAL METHODS SE Methods in Molecular Biology LA English DT Article; Book Chapter DE C. elegans; meiosis; nuclear architecture; chromosomes; meiotic prophase; immunofluorescence; fluorescence in situ hybridization; electron microscopy ID C-ELEGANS; ELECTRON-MICROSCOPY; MEIOTIC PROPHASE AB The nematode Caenorhabditis elegans has emerged as an informative experimental system for analysis of meiosis, in large part because of the advantageous physical organization of meiotic nuclei as a gradient of stages within the germline. Here we provide tools for detailed observational studies of cells within the worm gonad, including techniques for light and electron microscopy. C1 [Phillips, Carolyn M.; Dernburg, Abby F.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Phillips, Carolyn M.] Harvard Univ, Sch Med, Dept Mol Biol, Boston, MA USA. [McDonald, Kent L.] Univ Calif Berkeley, Electron Microscope Lab, Berkeley, CA 94720 USA. [Dernburg, Abby F.] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. [Dernburg, Abby F.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Phillips, CM (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. RI Phillips, Carolyn/E-8305-2011; OI Phillips, Carolyn/0000-0002-6228-6468; Dernburg, Abby/0000-0001-8037-1079 FU Howard Hughes Medical Institute; NIGMS NIH HHS [R01 GM065591, R01 GM065591-07] NR 12 TC 18 Z9 18 U1 0 U2 1 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA SN 1064-3745 BN 978-1-60761-102-8 J9 METHODS MOL BIOL JI Methods Mol. Biol. PY 2009 VL 558 BP 171 EP 195 DI 10.1007/978-1-60761-103-5_11 D2 10.1007/978-1-60761-103-5 PG 25 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA BLA06 UT WOS:000269721500011 PM 19685325 ER PT S AU Hanson, DK Mielke, DL Laible, PD AF Hanson, Deborah K. Mielke, Donna L. Laible, Philip D. BE DeLucas, L TI Harnessing Photosynthetic Bacteria for Membrane Protein Production SO MEMBRANE PROTEIN CRYSTALLIZATION SE Current Topics in Membranes LA English DT Review; Book Chapter ID LIGHT-HARVESTING COMPLEX; CAPSULATUS REACTION CENTERS; RHODOBACTER-SPHAEROIDES; ESCHERICHIA-COLI; HETEROLOGOUS EXPRESSION; RHODOPSEUDOMONAS-SPHAEROIDES; RHODOSPIRILLUM-RUBRUM; CRYSTAL-STRUCTURE; PHOTOTROPHIC BACTERIA; PROJECTION STRUCTURE C1 [Hanson, Deborah K.; Mielke, Donna L.; Laible, Philip D.] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. RP Hanson, DK (reprint author), Argonne Natl Lab, Biosci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. FU National Institutes of Health [R01 GM61887, P50 GM62414, R01 GM71318, P01 GM75913]; United States Department of Energy [W-31-109-ENG-38] FX The authors have benefited greatly From the contributions of laboratory members (past and present) and colleagues at Argonne National Laboratory for various aspects of the development and evaluation of the Rhodobacter expression system. They also thank David Mets and Hewson Swift for expertise in and facilities for electron microscopy, Marc Wander and Kelsey Wander for assistance with graphic design and preparation of figures, and GE Healthcare for Suggestions regarding adaptation of AKTA-FPLCs for semiautomated purification of membrane proteins. Funding for these efforts was provided by the National Institutes of Health (R01 GM61887, P50 GM62414, R01 GM71318, and P01 GM75913) and the United States Department of Energy, under contract no. W-31-109-ENG-38. NR 71 TC 3 Z9 3 U1 3 U2 7 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 1063-5823 BN 978-0-12-374987-1 J9 CURR TOP MEMBR JI Curr. Top. Membr. PY 2009 VL 63 BP 51 EP 82 DI 10.1016/S1063-5823(09)63003-9 PG 32 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA BJZ55 UT WOS:000267537300003 ER PT S AU Faham, S Ujwal, R Abramson, J Bowie, JU AF Faham, Salem Ujwal, Rachna Abramson, Jeff Bowie, James U. BE DeLucas, L TI Practical Aspects of Membrane Proteins Crystallization in Bicelles SO MEMBRANE PROTEIN CRYSTALLIZATION SE Current Topics in Membranes LA English DT Review; Book Chapter ID LIPIDIC CUBIC PHASES; SOLID-STATE NMR; ALIGNED PHOSPHOLIPID-BILAYERS; FAST-TUMBLING BICELLES; CYTOCHROME-C-OXIDASE; CRYSTAL-STRUCTURE; ANGSTROM RESOLUTION; COUPLED RECEPTOR; PHOSPHORUS NMR; BACTERIORHODOPSIN C1 [Faham, Salem; Ujwal, Rachna; Abramson, Jeff] Univ Calif Los Angeles, David Geffen Sch Med, Dept Physiol, Div Mol Med, Los Angeles, CA 90095 USA. [Bowie, James U.] Univ Calif Los Angeles, Dept Chem & Biochem, UCLA DOE Ctr Genom & Prote, Inst Mol Biol, Los Angeles, CA 90095 USA. RP Faham, S (reprint author), Univ Calif Los Angeles, David Geffen Sch Med, Dept Physiol, Div Mol Med, Los Angeles, CA 90095 USA. NR 44 TC 8 Z9 8 U1 0 U2 4 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 1063-5823 BN 978-0-12-374987-1 J9 CURR TOP MEMBR JI Curr. Top. Membr. PY 2009 VL 63 BP 109 EP 125 DI 10.1016/S1063-5823(09)63005-2 PG 17 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA BJZ55 UT WOS:000267537300005 ER PT S AU Baker, KL Stappaerts, EA Homoelle, DC Henesian, MA Bliss, ES Siders, CW Barty, CPJ AF Baker, K. L. Stappaerts, E. A. Homoelle, D. C. Henesian, M. A. Bliss, E. S. Siders, C. W. Barty, C. P. J. BE Olivier, SS Bifano, TG Kubby, JA TI Interferometric adaptive optics for high power laser pointing, wavefront control and phasing SO MEMS ADAPTIVE OPTICS III SE Proceedings of SPIE-The International Society for Optical Engineering LA English DT Proceedings Paper CT Conference on MEMS Adaptive Optics III CY JAN 27-29, 2009 CL San Jose, CA SP SPIE, Boston Univ, Photonics Ctr, Ctr Adapt Opt, Texas Instruments Inc, Nanolnk Inc, Ozen Engn Inc, Natl Sci Fdn Sci & Technol DE Adaptive Optics; Short-Pulse Lasers; Wave-front sensing; Interferometry ID NATIONAL-IGNITION-FACILITY; CONJUGATE ENGINE; PETAWATT; SYSTEMS; SENSOR AB Implementing the capability to perform fast ignition experiments, as well as, radiography experiments on the National Ignition Facility (NIF) places stringent requirements on the control of each of the beam's pointing and overall wavefront quality. One quad of the NIF beams, 4 beam pairs, will be utilized for these experiments and hydrodynamic and particle-in-cell simulations indicate that for the fast ignition experiments, these beams will be required to deliver 50%(4.0 kJ) of their total energy(7.96 kJ) within a 40 mu m diameter spot at the end of a fast ignition cone target. This requirement implies a stringent pointing and overall phase conjugation error budget on the adaptive optics system used to correct these beam lines. The overall encircled energy requirement is more readily met by phasing of the beams in pairs but still requires high Strehl ratios, S(r), and RMS tip/tilt errors of approximately one mu rad. To accomplish this task we have designed an interferometric adaptive optics system capable of beam pointing, high Strehl ratio and beam phasing with a single pixilated MEMS deformable mirror and interferometric wave-front sensor. We present the design of a testbed used to evaluate the performance of this wave-front sensor below along with simulations of its expected performance level. C1 [Baker, K. L.; Stappaerts, E. A.; Homoelle, D. C.; Henesian, M. A.; Bliss, E. S.; Siders, C. W.; Barty, C. P. J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Baker, KL (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave, Livermore, CA 94550 USA. EM baker7@llnl.gov NR 17 TC 0 Z9 0 U1 1 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7455-1 J9 P SOC PHOTO-OPT INS PY 2009 VL 7209 AR 720907 DI 10.1117/12.816574 PG 17 WC Nanoscience & Nanotechnology; Optics SC Science & Technology - Other Topics; Optics GA BSQ09 UT WOS:000285333600005 ER PT S AU Evans, JW Zawadzki, RJ Jones, S Olivier, S Werner, JS AF Evans, Julia W. Zawadzki, Robert J. Jones, Steve Olivier, Scot Werner, John S. BE Olivier, SS Bifano, TG Kubby, JA TI Performance of a MEMS-based AO-OCT System using Fourier Reconstruction SO MEMS ADAPTIVE OPTICS III SE Proceedings of SPIE-The International Society for Optical Engineering LA English DT Proceedings Paper CT Conference on MEMS Adaptive Optics III CY JAN 27-29, 2009 CL San Jose, CA SP SPIE, Boston Univ, Photonics Ctr, Ctr Adapt Opt, Texas Instruments Inc, Nanolnk Inc, Ozen Engn, Natl Sci Fdn Sci & Technol DE Adaptive Optics; MEMS deformable mirror; optical coherence tomography ID WAVE-FRONT SENSOR; OPTICAL COHERENCE TOMOGRAPHY; EXTREME ADAPTIVE OPTICS; DEFORMABLE MIRRORS; HIGH-RESOLUTION; TRANSFORM AB Adaptive optics (AO) and optical coherence tomography (OCT) are powerful imaging modalities that, when combined, can provide high-resolution (3.5 mu m isotropic), 3-D images of the retina. The AO-OCT system at UC Davis has demonstrated the utility of this technology for microscopic, volumetric, in vivo retinal imaging. The current system uses an AOptix bimorph deformable mirror (DM) for low-order, high-stroke correction and a 140-actuator Boston Micromachines DM for high-order correction. Developments to improve performance or functionality of the instrument are on-going. Based on previous work in system characterization we have focused on improved AO control. We present preliminary results and remaining challenges for a newly implemented Fourier transform reconstructor (FTR). The previously reported error budget analysis is also reviewed and updated, with consideration of how to improve both the amount of residual error and the robustness of the system. Careful characterization of the AO system will lead to improved performance and inform the design of future systems. C1 [Evans, Julia W.; Jones, Steve; Olivier, Scot] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Evans, JW (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave, Livermore, CA 94550 USA. EM evans74@llnl.gov RI Zawadzki, Robert/E-7534-2011 OI Zawadzki, Robert/0000-0002-9574-156X NR 21 TC 0 Z9 0 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7455-1 J9 P SOC PHOTO-OPT INS PY 2009 VL 7209 AR 720905 DI 10.1117/12.808002 PG 12 WC Nanoscience & Nanotechnology; Optics SC Science & Technology - Other Topics; Optics GA BSQ09 UT WOS:000285333600003 ER PT B AU Pirrone, N Cinnirella, S Feng, XB Finkelman, RB Friedli, HR Leaner, J Mason, R Mukherjee, AB Stracher, G Streets, DG Telmer, K AF Pirrone, Nicola Cinnirella, Sergio Feng, Xinbin Finkelman, Robert B. Friedli, Hans R. Leaner, Joy Mason, Rob Mukherjee, Arun B. Stracher, Glenn Streets, David G. Telmer, Kevin BE Pirrone, N Mason, R TI Global Mercury Emissions to the Atmosphere from Natural and Anthropogenic Sources SO MERCURY FATE AND TRANSPORT IN THE GLOBAL ATMOSPHERE: EMISSIONS, MEASUREMENTS AND MODELS LA English DT Article; Book Chapter ID MEDITERRANEAN REGION; VOLCANIC EMISSIONS; GASEOUS MERCURY; BOREAL FOREST; PETROLEUM; GASOLINE; AREA; DIESEL; NEVADA; FIRES AB This chapter provides an up-to-date overview of global mercury emissions from natural and anthropogenic Sources at country and regional/continental scale. The information reported in Chapters 2-8 is the basis of the assessment reported in this chapter, however, emissions data related to sources and regions not reported in chapters 2-8 have been derived, to the extent possible, from the most recent peer-reviewed literature and from official technical reports. Natural Sources, which include the contribution from oceans and other surface waters, rocks, top soils and vegetation, volcanoes and other geothermal activities and biomass burning are estimated to release annually about 5207 Mg of mercury, part of which represent previously deposited anthropogenic and natural mercury from the atmosphere to ecosystem-receptors due to historic releases and part is a new contribution from natural reservoirs. Current anthropogenic sources, which include a large number of industrial point Sources are estimated to release about 2909 Mg of mercury on an annual basis, the major contribution is from fossil fuel-Fired power plants (1422 Mg yr(-1)), artisanal small scale-old mining (400 Mg yr(-1)), waste disposal (187 Mg yr(-1)), non-ferrous metals manufacturing (310 Mg yr(-1)) and cement production (236 Mg yr(-1)). Our current estimate of global emissions suggest that summing up the contribution from natural and anthropogenic sources nearly 8116 Mg of mercury is released annually to the global atmosphere. The evaluation of global emissions presented in this report differs from previous published assessments because in the past, emissions from several sources, i.e., forest fires and coal-bed fires have not been accounted for, and also because of improved knowledge of some anthropogenic and natural sources (i.e., emissions from oceans, vegetation) as Suggested by the most up-to-date literature. C1 [Pirrone, Nicola] CNR Inst Atmospher Pollut, Rome, Italy. [Cinnirella, Sergio] CNR Inst Atmospher Pollut, Div Rende, Arcavacata Di Rende, Italy. [Feng, Xinbin] Chinese Acad Sci, Guiyang, Peoples R China. [Finkelman, Robert B.] Univ Texas Dallas, Dallas, TX 75230 USA. [Friedli, Hans R.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. [Leaner, Joy] CSIR Nat Resources & Environm, Stellenbosch, South Africa. [Mason, Rob] Univ Connecticut, Dept Marine Sci, Groton, CT 06340 USA. [Mukherjee, Arun B.] Univ Helsinki, Helsinki, Finland. [Stracher, Glenn] E Georgia Coll, Dept Geol, Swainsboro, GA USA. [Streets, David G.] Argonne Natl Lab, Argonne, IL 60439 USA. [Telmer, Kevin] Univ Victoria, Sch Earth & Ocean Sci, Victoria, BC V8W 2Y2, Canada. RP Pirrone, N (reprint author), CNR Inst Atmospher Pollut, Rome, Italy. OI Streets, David/0000-0002-0223-1350; CINNIRELLA, SERGIO/0000-0003-3251-5298 NR 148 TC 37 Z9 39 U1 0 U2 11 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-0-387-93957-5 PY 2009 BP 3 EP 49 DI 10.1007/978-0-387-93958-2_1 D2 10.1007/978-0-387-93958-2 PG 47 WC Environmental Sciences SC Environmental Sciences & Ecology GA BLE61 UT WOS:000270022200001 ER PT B AU Streets, DG Hao, JM Wang, SX Wu, Y AF Streets, David G. Hao, Jiming Wang, Shuxiao Wu, Ye BE Pirrone, N Mason, R TI Mercury Emissions from Coal Combustion in China SO MERCURY FATE AND TRANSPORT IN THE GLOBAL ATMOSPHERE: EMISSIONS, MEASUREMENTS AND MODELS LA English DT Article; Book Chapter ID SPECIATION; TRENDS; ASIA AB This chapter reviews the magnitude and spatial distribution of mercury emissions from coal combustion in China. Due to the large quantities of coal burned and the relatively low level of technology, particularly in industry, emissions are high. Emissions were stable at about 200-210 Mg during the period 1995-2000, but because of rapid economic growth starting in 2001, mercury emissions grew quickly to a value of 334 Mg in 2005. The annual average growth rate for the period 1995-2005 was 5.1%. The uncertainty in emission estimates is about +/- 35% (95% confidence intervals). Emissions are concentrated in those provinces with high concentrations of mercury in coal (like Guizhou Province) and provinces in which a lot of coal is burned (like Shanxi Province). Because significant amounts of coal are burned in homes and small industrial facilities, without any kind of emission control at all, emissions of particulate mercury are higher in China than in the developed world; the speciation profile nationwide is: 64% Hg-(II), 19% Hg(p), and 17% Hg-0. In the future, growth in mercury emissions is expected to be limited by the application of FGD for SO2 control and other advanced technologies. Estimates of emissions are hampered by the lack of comprehensive and reliable emissions testing programs in China. C1 [Streets, David G.] Argonne Natl Lab, Argonne, IL 60439 USA. [Hao, Jiming; Wang, Shuxiao; Wu, Ye] Tsinghua Univ, Beijing 100084, Peoples R China. RP Streets, DG (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. OI Streets, David/0000-0002-0223-1350 NR 25 TC 15 Z9 17 U1 0 U2 3 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-0-387-93957-5 PY 2009 BP 51 EP 65 DI 10.1007/978-0-387-93958-2-2_2 D2 10.1007/978-0-387-93958-2 PG 15 WC Environmental Sciences SC Environmental Sciences & Ecology GA BLE61 UT WOS:000270022200002 ER PT B AU Feng, XB Streets, D Hao, JM Wu, Y Li, GH AF Feng, Xinbin Streets, David Hao, Jiming Wu, Ye Li, Guanghui BE Pirrone, N Mason, R TI Mercury Emissions from Industrial Sources in China SO MERCURY FATE AND TRANSPORT IN THE GLOBAL ATMOSPHERE: EMISSIONS, MEASUREMENTS AND MODELS LA English DT Article; Book Chapter ID ATMOSPHERIC MERCURY; PARTICULATE MERCURY; GASEOUS MERCURY; BIOMASS; GUIZHOU; DEPOSITION; SURFACE; ASIA; AIR AB In this chapter, we reviewed mercury emissions from industrial sources in China. The industrial sources included fuel oil for stationary sources; gasoline; diesel and kerosene; biofuel combustion; Grassland/savannah burning; waste and residue burning; cement production; iron and steel production; caustic soda production; non-ferrous metal smelting (Zn, Pb, Cu, and Au); mercury mining; and battery and fluorescent lamp production. Mercury emission factors from most Source categories were obtained according to measurement data from Europe and North America. The mercury emission factor for zinc smelting, which was believed to be the largest industrial Source, was adopted from the data of recent studies in China. We used the information published in the literature to estimate the emission of different mercury species. The total mercury emission from industrial Sources in China was 253.07 Mg in 1999. Non-ferrous metal smelting (including zinc, lead, copper and gold smelting) is the largest industrial mercury emission source in China and the total mercury emissions reached 167.8 Mg. The total mercury emissions from industrial sources in China in 1995 was 296.4 Mg, increasing to 360.5 Mg in 2003, at an average annual Growth rate of 2.90%. Due to lack of field measurement data to quantify mercury emission factors for most of industrial sources, a large uncertainty is associated with the current emission inventory. A number of studies need to be undertaken to reduce the uncertainties. Surveys are needed to evaluate mercury contents in raw materials of different industrial categories. Mercury balance studies are necessary for representative plants of different industrial sources. The speciation of mercury emissions from different industrial sources are also urgently needed in order to better understand the atmospheric fate of mercury emitted from these sources. C1 [Feng, Xinbin] Chinese Acad Sci, Guiyang, Peoples R China. [Streets, David] Argonne Natl Lab, Argonne, IL 60439 USA. [Hao, Jiming; Wu, Ye; Li, Guanghui] Tsinghua Univ, Beijing 100084, Peoples R China. RP Feng, XB (reprint author), Chinese Acad Sci, Guiyang, Peoples R China. OI Streets, David/0000-0002-0223-1350 NR 38 TC 9 Z9 11 U1 1 U2 4 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-0-387-93957-5 PY 2009 BP 67 EP 79 DI 10.1007/978-0-387-93958-2_3 D2 10.1007/978-0-387-93958-2 PG 13 WC Environmental Sciences SC Environmental Sciences & Ecology GA BLE61 UT WOS:000270022200003 ER PT S AU Rognin, F Abdi, F Kunc, V Lee, M Nikbin, K AF Rognin, F. Abdi, F. Kunc, V. Lee, M. Nikbin, K. BE Korsunsky, AM Dini, D Sih, GC TI Probabilistic methods in predicting damage under multi-stage fatigue of composites using load block sequences SO MESOMECHANICS 2009 SE Procedia Engineering LA English DT Proceedings Paper CT Mesomechanics 2009 Conference CY JUN 24-26, 2009 CL Oxford, ENGLAND SP Imperial Coll London, Lehigh Univ DE Fatigue; composite; Block Loading Sequence; 3-D; probabilistic failure mechanism AB In service fatigue loading of composite components damage prediction needs to be addressed, using experimental and numerical methods. However the majority of fatigues loading experimental data for characterizing composite materials are taken from constant amplitude tests. This is mainly due to the expensive and time-consuming nature of variable amplitude experiments. The fatigue effects are often assessed by performing block loading experiments with various high-to-low and low-to-high sequences. The purpose of this study is to predict using probabilistic methods, the fatigue life of the coupon and eventually plot the relationship between the damage fractions accumulated during the first and the second fatigue test for different block loading sequences. A thermodynamic based cumulative damage theory is used to provide an effective and efficient methodology to accurately characterize the effects of load sequence, load level, and fatigue damage history on the multi-stage fatigue loading of composites. The probabilistic predictions are used to identify the influence of different input variables on the predictions. The results have been verified with the tensile fatigue experimental data measured for a 3D 3TEX woven Fiberglas reinforced laminate system by Delphi/ORNL. The probabilistic risk mitigation is performed to seek the range of fatigue life extension. (C) 2009 Elsevier B. V. All rights reserved C1 [Nikbin, K.] Univ London Imperial Coll Sci Technol & Med, London, England. [Rognin, F.; Abdi, F.] Alphastar Corp, Long Beach, CA USA. [Kunc, V.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Lee, M.] Delphi Corp, Troy, NY USA. RP Nikbin, K (reprint author), Univ London Imperial Coll Sci Technol & Med, London, England. EM k.nikbin@imperial.ac.uk RI Dini, Daniele/H-8335-2013; Kunc, Vlastimil/E-8270-2017 OI Kunc, Vlastimil/0000-0003-4405-7917 NR 7 TC 2 Z9 2 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1877-7058 J9 PROCEDIA ENGINEER PY 2009 VL 1 IS 1 BP 55 EP 58 DI 10.1016/j.proeng.2009.06.015 PG 4 WC Mechanics; Materials Science, Characterization & Testing SC Mechanics; Materials Science GA BNZ97 UT WOS:000275988600014 ER PT S AU Luscher, DJ McDowell, DL AF Luscher, Darby J. McDowell, David L. BE Korsunsky, AM Dini, D Sih, GC TI An extended multiscale principle of virtual velocities approach for evolving microstructure SO MESOMECHANICS 2009 SE Procedia Engineering LA English DT Proceedings Paper CT Mesomechanics 2009 Conference CY JUN 24-26, 2009 CL Oxford, ENGLAND SP Imperial Coll London, Lehigh Univ DE multiscale; principle of virtual velocities; dissipation; scale invariance; microstructure evolution; second gradient; strain gradient ID COMPUTATIONAL HOMOGENIZATION; GRADIENT PLASTICITY; CONTINUUM; MECHANICS; STRAIN; POWER AB A hierarchical multiscale approach is presented for modeling microstructure evolution in heterogeneous materials. Preservation of momentum across each scale transition is incorporated through the application of the principle of virtual velocities at the fine scale giving rise to the appropriate continuum momentum balance equations at the coarse scale. In addition to satisfying momentum balance and invariance of momentum among scales, invariance of elastic free energy, stored free energy, and dissipation between two scales of observation is regarded as crucial to the physics of each scale transition. The preservation of this energy partitioning scheme is obtained through construction of constitutive relations within the framework of internal state variable theory. Internal state variables that are directly computed from the fine scale response are introduced to augment the state equations and describe the inelastic energy storage and dissipation within the fine scale. By virtue of a second gradient kinematic decomposition, the framework naturally gives rise to couple stresses. (C) 2009 Elsevier B.V. All rights reserved C1 [McDowell, David L.] Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA. [Luscher, Darby J.] Los Alamos Natl Lab, Adv Engn Analysis, Los Alamos, NM 87545 USA. [Luscher, Darby J.; McDowell, David L.] Georgia Inst Technol, G W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. RP McDowell, DL (reprint author), Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA. EM david.mcdowell@me.gatech.edu FU Advanced Simulation and Computing Program's Physics and Engineering Models Program Element (ASC-MP) of the U.S. Department of Energy; Los Alamos National Laboratory [DE-AC52-06NA25396]; U.S. Department of Energy FX This work has been supported by the Advanced Simulation and Computing Programs Physics and Engineering Models Program Element (ASC-MP) of the U.S. Department of Energys National Nuclear Security Administration (NNSA). This work has been authored by an employee of Los Alamos National Security, LLC, operator of the Los Alamos National Laboratory under Contract No.DE-AC52-06NA25396 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting this work for publication, acknowledges that the United States Government retains a nonexclusive, paid-up, irrevocable, world-wide license to publish or reproduce this work, or allow others to do so for United States Government purposes. NR 11 TC 2 Z9 2 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1877-7058 J9 PROCEDIA ENGINEER PY 2009 VL 1 IS 1 BP 117 EP 121 DI 10.1016/j.proeng.2009.06.028 PG 5 WC Mechanics; Materials Science, Characterization & Testing SC Mechanics; Materials Science GA BNZ97 UT WOS:000275988600027 ER PT B AU Huang, JS Sumpter, BG Meunier, V AF Huang, Jingsong Sumpter, Bobby G. Meunier, Vincent BE Burness, LT TI A UNIVERSAL MODEL FOR NANOPOROUS CARBON SUPERCAPACITORS SO MESOPOROUS MATERIALS: PROPERTIES, PREPARATION AND APPLICATIONS SE Materials Science and Technologies LA English DT Article; Book Chapter ID DOUBLE-LAYER CAPACITANCE; TEMPLATED MESOPOROUS CARBONS; ELECTROCHEMICAL CAPACITORS; ACTIVATED CARBONS; PROPYLENE CARBONATE; GAMMA-BUTYROLACTONE; PORE STRUCTURE; ELECTROLYTE; IONS; ACETONITRILE AB Supercapacitors based on nanoporous carbon materials, commonly called electric double-layer capacitors (EDLCs), are emerging as a novel type of energy-storage device with the potential to substitute batteries in applications that require high power densities. Nanoporous carbon supercapacitors are generally viewed as a parallel-plate capacitor since supercapacitors store energy by charge separation in an electric double layer formed at the electrode/electrolyte interface. The EDLC model has been used to characterize the energy storage of supercapacitors for decades. We comment in this chapter on the shortcomings of the EDLC model when applied to nanoporous carbon supercapacitors. In response to the latest experimental breakthrough in nanoporous carbon supercapacitors, we have proposed a heuristic model that takes pore curvature into account as a replacement for the EDLC model. When the pore size is in the mesopore regime (2-50 nm), electrolyte counterions enter mesoporous carbons and approach the pore wall to form an electric double-cylinder capacitor (EDCC); in the micropore regime (< 2 nm), solvated/desolvated counterions line up along the pore axis to form an electric wire-in-cylinder capacitor (EWCC). In the macropore regime (>50 nm), where pores are large enough so that pore curvature is no longer significant, the EDCC model can be reduced to the EDLC model. With the backing of experimental data and quantum density functional theory calculations, we have shown that the EDCC/EWCC model is universal for carbon supercapacitors with diverse carbon materials and electrolytes. The strengths and limitations of this new model are discussed. The new model allows the supercapacitor properties to be correlated with pore size, specific surface area, Debye length, electrolyte concentration, dielectric constant, and solute ion size, and may lend support to the systematic optimization of the properties of carbon supercapacitors through experiments. C1 [Huang, Jingsong; Sumpter, Bobby G.; Meunier, Vincent] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Huang, JS (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RI Huang, Jingsong/A-2789-2008 OI Huang, Jingsong/0000-0001-8993-2506 NR 52 TC 1 Z9 1 U1 1 U2 2 PU NOVA SCIENCE PUBLISHERS, INC PI HAUPPAUGE PA 400 OSER AVE, STE 1600, HAUPPAUGE, NY 11788-3635 USA BN 978-1-60741-051-5 J9 MATER SCI TECHNOL PY 2009 BP 177 EP 190 PG 14 WC Materials Science, Multidisciplinary SC Materials Science GA BLV45 UT WOS:000271166400008 ER PT J AU Anthony, JR Anthony, LC Nowroozi, F Kwon, G Newman, JD Keasling, JD AF Anthony, Jennifer R. Anthony, Larry C. Nowroozi, Farnaz Kwon, Gina Newman, Jack D. Keasling, Jay D. TI Optimization of the mevalonate-based isoprenoid biosynthetic pathway in Escherichia coli for production of the anti-malarial drug precursor amorpha-4,11-diene SO METABOLIC ENGINEERING LA English DT Article DE Pathway engineering; Melvalonate kinase; Amorphadiene synthase; E. coli ID RANGE CLONING VECTOR; METABOLIC BURDEN; GENE-EXPRESSION; PLASMID; 1,3-PROPANEDIOL; FERMENTATION; GLYCEROL; SEQUENCE; PBBR1MCS; REGIONS AB The introduction or creation of metabolic pathways in microbial hosts has allowed for the production of complex chemicals of therapeutic and industrial importance. However, these pathways rarely function optimally when first introduced into the host organism and can often deleteriously affect host growth, resulting in suboptimal yields of the desired product. Common methods used to improve production from engineered biosynthetic pathways include optimizing codon usage, enhancing production of rate-limiting enzymes, and eliminating the accumulation of toxic intermediates or by products to improve cell growth. We have employed these techniques to improve production of amorpha-4,11-diene (amorphadiene), a precursor to the anti-malarial compound artemisinin, by an engineered strain of Escherichia coli. First we developed a simple cloning system for expression of the amorphadiene biosynthetic pathway in E. coli, which enabled the identification of two rate-limiting enzymes (mevalonate kinase (MK) and amorphadiene synthase (ADS)). By optimizing promoter strength to balance expression of the encoding genes we alleviated two pathway bottlenecks and improved production five fold. When expression of these genes was further increased by modifying plasmid copy numbers, a seven-fold increase in amorphadiene production over that from the original strain was observed. The methods demonstrated here are applicable for identifying and eliminating rate-limiting steps in other constructed biosynthetic pathways. (C) 2008 Elsevier Inc. All rights reserved. C1 [Keasling, Jay D.] Univ Calif Berkeley, Berkeley Ctr Synthet Biol, Calif Inst Quantitat Biomed Res, Berkeley, CA 94720 USA. [Nowroozi, Farnaz; Keasling, Jay D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Keasling, Jay D.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. [Keasling, Jay D.] Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Synthet Biol Dept, Berkeley, CA 94720 USA. [Anthony, Larry C.; Newman, Jack D.] Amyris Biotechnol Inc, Emeryville, CA 94608 USA. RP Keasling, JD (reprint author), Univ Calif Berkeley, Berkeley Ctr Synthet Biol, Calif Inst Quantitat Biomed Res, 717 Potter St,Bldg 977,Mail Code 3224, Berkeley, CA 94720 USA. EM keasling@berkeley.edu RI Keasling, Jay/J-9162-2012 OI Keasling, Jay/0000-0003-4170-6088 FU One World Health; The Bill and Melinda Gates Foundation; National Institute of Health [1 F32 GM077922-01]; National Institute of Health Postdoctoral Fellowship FX This research was conducted under the sponsorship of the Institute for One World Health, through the generous support of The Bill and Melinda Gates Foundation and by a grant from the National Institute of Health (NIGMS, Grant # 1 F32 GM077922-01). J.R.A. is the recipient of a National Institute of Health Postdoctoral Fellowship. We thank Rika Regentin for the gift of purified amorphadiene for analytical standards. We also thank Stephanie Bae, Daniel Dengrove, and Shayin Gottlieb for their assistance. NR 21 TC 140 Z9 154 U1 5 U2 58 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1096-7176 J9 METAB ENG JI Metab. Eng. PD JAN PY 2009 VL 11 IS 1 BP 13 EP 19 DI 10.1016/j.ymben.2008.07.007 PG 7 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 395DM UT WOS:000262502800003 PM 18775787 ER PT S AU Burckel, DB Davids, P Brener, I Ten Eyck, GA Ellis, AR Wendt, JR Passmore, BS Shaner, EA Sinclair, MB AF Burckel, D. B. Davids, P. Brener, I. Ten Eyck, G. A. Ellis, A. R. Wendt, J. R. Passmore, B. S. Shaner, E. A. Sinclair, M. B. BE Noginov, MA Zheludev, NI Boardman, AD Engheta, N TI Metamaterial resonators on curved surfaces SO METAMATERIALS: FUNDAMENTALS AND APPLICATIONS II SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Metamaterials - Fundamentals and Applications II CY AUG 02-05, 2009 CL San Diego, CA SP SPIE DE Metamaterials; fabrication; directional evaporation; self-aligned cavity; suspended membrane ID NEGATIVE-INDEX; MAGNETISM AB Straightforward extension of canonical microwave metamaterial structures to optical and IR frequency dimensions is complicated by both the size scale of the resulting structures, requiring cutting edge lithography to achieve the requisite line-widths, as well as limitations on assembly/construction into final geometry. We present a scalable fabrication approach capable of generating metamaterial structures such as split ring resonators and split wire pairs on a micron/sub-micron size scale on concave surfaces with a radius of curvature similar to SRR diameter. This talk outlines the fabrication method and modeling/theory based interpretation of the implications of curved metamaterial resonators. C1 [Burckel, D. B.; Davids, P.; Brener, I.; Ten Eyck, G. A.; Ellis, A. R.; Wendt, J. R.; Passmore, B. S.; Shaner, E. A.; Sinclair, M. B.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Burckel, DB (reprint author), Sandia Natl Labs, POB 5800 MS1082, Albuquerque, NM 87185 USA. EM dbburck@sandia.gov RI Davids, Paul/D-1550-2010 NR 6 TC 2 Z9 2 U1 0 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7682-1 J9 PROC SPIE PY 2009 VL 7392 AR 739204 DI 10.1117/12.826903 PG 9 WC Nanoscience & Nanotechnology; Optics SC Science & Technology - Other Topics; Optics GA BWZ78 UT WOS:000295460400002 ER PT S AU Burckel, DB Davids, P Brener, I Ten Eyck, GA Ellis, AR Wendt, JR Passmore, BS Shaner, EA Sinclair, MB AF Burckel, D. B. Davids, P. Brener, I. Ten Eyck, G. A. Ellis, A. R. Wendt, J. R. Passmore, B. S. Shaner, E. A. Sinclair, M. B. BE Noginov, MA Zheludev, NI Boardman, AD Engheta, N TI Metamaterial resonators on curved surfaces SO METAMATERIALS: FUNDAMENTALS AND APPLICATIONS II SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Metamaterials - Fundamentals and Applications II CY AUG 02-05, 2009 CL San Diego, CA SP SPIE DE Metamaterials; fabrication; directional evaporation; self-aligned cavity; suspended membrane ID NEGATIVE-INDEX; MAGNETISM AB Straightforward extension of canonical microwave metamaterial structures to optical and IR frequency dimensions is complicated by both the size scale of the resulting structures, requiring cutting edge lithography to achieve the requisite line-widths, as well as limitations on assembly/construction into final geometry. We present a scalable fabrication approach capable of generating metamaterial structures such as split ring resonators and split wire pairs on a micron/sub-micron size scale on concave surfaces with a radius of curvature similar to SRR diameter. This talk outlines the fabrication method and modeling/theory based interpretation of the implications of curved metamaterial resonators. C1 [Burckel, D. B.; Davids, P.; Brener, I.; Ten Eyck, G. A.; Ellis, A. R.; Wendt, J. R.; Passmore, B. S.; Shaner, E. A.; Sinclair, M. B.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Burckel, DB (reprint author), Sandia Natl Labs, POB 5800 MS1082, Albuquerque, NM 87185 USA. EM dbburck@sandia.gov NR 6 TC 0 Z9 0 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7682-1 J9 PROC SPIE PY 2009 VL 7392 AR 739203 PG 9 WC Nanoscience & Nanotechnology; Optics SC Science & Technology - Other Topics; Optics GA BWZ78 UT WOS:000295460400001 ER PT J AU Mathew, KJ Marti, K AF Mathew, K. J. Marti, K. TI Galactic cosmic ray-produced Xe-129 and Xe-131 excesses in troilites of the Cape York iron meteorite SO METEORITICS & PLANETARY SCIENCE LA English DT Article ID PRODUCTION-RATES; CROSS-SECTIONS; XENON AB The flux of galactic cosmic rays (GCR) in the solar system appears to change with time. Based on the abundances in iron meteorites of cosmogenic nuclides of different half lives, Lavielle et al. (1999) found that the GCR flux increased in recent times (<100 Ma) by about 38% compared to average flux in the past 150 Ma to 700 Ma ago. A promising technique for calibrating the GCR flux during the past similar to 50 Ma, based on the I-129 and Xe-129 pair of nuclides, was discussed earlier (Marti 1986; Murty and Marti 1987). The I-129-Xe-129(n) chronometer provides a shielding-independent system as long as the exposure geometry remained fixed. It is especially suitable for large iron meteorites (Te-rich troilite) because of the effects by the GCR secondary neutron component. Although GCR-produced Xe components were identified in troilites, several issues require clarifications and improvements; some arc; reported here. We developed a procedure for achieving small Xe extraction blanks which are required to measure indigenous Xe in troilites. The Xe-129 and Xe-131 excesses (Xe-129, Xe-131) due to neutron reactions in Te are correlated in a stepwise release run during the troilite decomposition. Our data show that indigenous Xe in troilite of Cape York has isotopic abundances consistent with ordinary chondritic Xe (OC-Xe), in contrast to a terrestrial signature which was reported earlier. Two methods are discussed which assess and correct for an interfering radiogenic Xe-129(r) component from extinct I-129. The corrected Xe-129(n) concentration in troilite D4 of Cape York yields a cosmic ray exposure; (CRE) age of 82 +/- 7 Ma consistent, within uncertainties, with reported data (Murty and Marti 1987; Marti et al. 2004). C1 [Mathew, K. J.; Marti, K.] Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA 92093 USA. RP Mathew, KJ (reprint author), US DOE, New Brunswick Lab, 9800 S Cass Avenue, Argonne, IL 60439 USA. EM kattathu.mathew@ch.doe.gov FU NASA [NGL 05-009-150, NNG05GJ08G] FX We thank K. Nishiizumi for collaboration and J. Y. Lee for assistance in data analysis. We acknowledge comments by Grenville Turner and another anonymous reviewer. This research was supported by NASA grants NGL 05-009-150 and NNG05GJ08G. NR 16 TC 5 Z9 5 U1 0 U2 2 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1086-9379 J9 METEORIT PLANET SCI JI Meteorit. Planet. Sci. PD JAN PY 2009 VL 44 IS 1 BP 107 EP 114 PG 8 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 423DJ UT WOS:000264476300009 ER PT S AU Hong, H Joh, NH Bowie, JU Tamm, LK AF Hong, Heedeok Joh, Nathan H. Bowie, James U. Tamm, Lukas K. BE Johnson, ML Holt, JM Ackers, GK TI METHODS FOR MEASURING THE THERMODYNAMIC STABILITY OF MEMBRANE PROTEINS SO METHODS IN ENZYMOLOGY: BIOTHERMODYNAMICS,VOL 455, PART A SE Methods in Enzymology LA English DT Review; Book Chapter ID RESONANCE ENERGY-TRANSFER; LATERAL PRESSURE PROFILE; TRANSMEMBRANE HELIX; ESCHERICHIA-COLI; BIOLOGICAL MEMBRANE; MIXED MICELLES; SIDE-CHAINS; IN-VITRO; PHOSPHOLIPID-BILAYERS; CHANNEL STRUCTURE AB Learning how amino acid sequences define protein structure has been a major challenge for molecular biology since the first protein structures were determined in the 1960s. In contrast to the staggering progress with soluble proteins, investigations of membrane protein folding have long been hampered by the lack of high-resolution structures and the technical challenges associated with studying the folding process in vitro. In the past decade, however, there has been an explosion of new membrane protein structures and a slower but notable increase in efforts to study the factors that define these structures. Here we review the methods that have been used to evaluate the thermodynamic stability of membrane proteins and provide some salient examples of how the methods have been used to begin to understand the energetics of membrane protein folding. C1 [Hong, Heedeok; Joh, Nathan H.; Bowie, James U.] Univ Calif Los Angeles, Inst Mol Biol, Dept Chem & Biochem, DOE Ctr Genom & Prote, Los Angeles, CA 90024 USA. [Tamm, Lukas K.] Univ Virginia Hlth Syst, Ctr Membrane Biol, Charlottesville, VA USA. [Tamm, Lukas K.] Univ Virginia Hlth Syst, Dept Mol Physiol & Biol Phys, Charlottesville, VA USA. RP Hong, H (reprint author), Univ Calif Los Angeles, Inst Mol Biol, Dept Chem & Biochem, DOE Ctr Genom & Prote, Los Angeles, CA 90024 USA. FU National Institutes of Health [GM063919, GM081783, GM051329] FX Supported by grants GM063919 and GM081783 (J.U.B.) and GM051329 (L.K.T.) from the National Institutes of Health. NR 79 TC 48 Z9 49 U1 0 U2 16 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 0076-6879 BN 978-0-12-374596-5 J9 METHOD ENZYMOL JI Methods Enzymol. PY 2009 VL 455 BP 213 EP 236 DI 10.1016/S0076-6879(08)04208-0 PG 24 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA BJD57 UT WOS:000265019700008 PM 19289208 ER PT S AU Li, TH Stachowiak, JC Fletcher, DA AF Li, Thomas H. Stachowiak, Jeanne C. Fletcher, Daniel A. BE Duzgunes, N TI MIXING SOLUTIONS IN INKJET FORMED VESICLES SO METHODS IN ENZYMOLOGY LIPOSOMES, PT G SE Methods in Enzymology LA English DT Review; Book Chapter ID VORTEX RINGS; LIPOSOMES; DELIVERY; AGENTS; MEMBRANES; THERAPY; TIME AB Controlling the contents of liposomes and vesicles is essential for their use in medicine, biotechnology, and basic research. Cargos such as proteins, DNA, and RNA are of growing interest for therapeutic applications as well as for fundamental studies of cellular organization and function, but controlled encapsulation and mixing of biomolecules within vesicles has been a challenge. Recently, microfluidic encapsulation has been shown to efficiently load arbitrary solutions of biomolecules into unilamellar vesicles. This method utilizes a piezoelectrically driven liquid jet to deform a planar bilayer and form a vesicle, with the fluid vortex formed by the jet mixing the solution in the jet with the surrounding solution. Here, we describe the equipment and protocol used for loading mixtures within unilamellar vesicles by microfluidic encapsulation, and we measure the encapsulated fraction to be 79 +/- 5% using a falling vesicle technique. Additionally, we find that the presence of a continuous flow from the nozzle and changes in actuation voltage polarity do not significantly affect the encapsulated fraction. These results help to guide current applications and future development of this microfluidic encapsulation technique for forming and loading unilamellar vesicles. C1 [Fletcher, Daniel A.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Stachowiak, Jeanne C.] Sandia Natl Labs, Livermore, CA USA. [Fletcher, Daniel A.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Li, Thomas H.] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. RP Fletcher, DA (reprint author), Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. FU NEI NIH HHS [PN2 EY016546-06, PN2 EY016546] NR 35 TC 5 Z9 6 U1 1 U2 8 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 0076-6879 BN 978-0-12-381379-4 J9 METHOD ENZYMOL JI Methods Enzymol. PY 2009 VL 465 BP 75 EP 94 DI 10.1016/S0076-6879(09)65004-7 PG 20 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA BMH87 UT WOS:000272400200005 PM 19913162 ER PT S AU Wall, ME AF Wall, Michael E. BE Lee, JW Foote, RS TI Methods and Software for Diffuse X-Ray Scattering from Protein Crystals SO MICRO AND NANO TECHNOLOGIES IN BIOANALYSIS: METHODS AND PROTOCOLS SE Methods in Molecular Biology LA English DT Article; Book Chapter DE Protein dynamics; Conformational distribution; Diffuse X-ray scattering; Protein crystallography; Synchrotron ID STAPHYLOCOCCAL NUCLEASE; DYNAMICS; MOTION AB Proteins in thermal equilibrium are associated with conformational distributions rather than single, static structures. Although there arc no experimental methods to measure the full protein conformational distribution, several methods exist to probe important aspects. Diffuse X-ray scattering is one such method. We have measured the first three-dimensional reciprocal-space maps of the intensity of diffuse X-ray reflections from protein crystals, and used them to characterize protein conformational distributions. With straightforward modifications, X-ray beamlines can be engineered to enable diffuse scattering measurements for protein crystals. To facilitate future studies, the Lunus software package, used to create the first three-dimensional maps of diffuse X-ray reflections from protein crystals, has been made publicly available (http://lunus.sourceforge.net). C1 [Wall, Michael E.] Los Alamos Natl Lab, Comp Computat & Stat Sci Div, Biosci Div, Los Alamos, NM USA. [Wall, Michael E.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. RP Wall, ME (reprint author), Los Alamos Natl Lab, Comp Computat & Stat Sci Div, Biosci Div, Los Alamos, NM USA. OI Alexandrov, Ludmil/0000-0003-3596-4515 NR 16 TC 11 Z9 11 U1 0 U2 6 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA SN 1064-3745 BN 978-1-934115-40-4 J9 METHODS MOL BIOL JI Methods Mol. Biol. PY 2009 VL 544 BP 269 EP 279 DI 10.1007/978-1-59745-483-4_17 D2 10.1007/978-1-59745-483-4 PG 11 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA BKY35 UT WOS:000269610900017 PM 19488705 ER PT S AU Meilleur, F Weiss, KL Myles, DAA AF Meilleur, Flora Weiss, Kevin L. Myles, Dean A. A. BE Lee, JW Foote, RS TI Deuterium Labeling for Neutron Structure-Function-Dynamics Analysis SO MICRO AND NANO TECHNOLOGIES IN BIOANALYSIS: METHODS AND PROTOCOLS SE Methods in Molecular Biology LA English DT Article; Book Chapter DE Protein; Membrane; Nucleic acid; Deuterium labeling; Cell culture; Over-expression; Deuterium exchange; Crystallography; Reflectometry; Small angle scattering; Contrast variation ID ESCHERICHIA-COLI RIBOSOME; CONTRAST VARIATION; SCATTERING; CRYSTALLOGRAPHY; MYOGLOBIN; PROTEINS AB Neutron scattering and diffraction provide detailed information on the structure and dynamics of biological materials across time and length scales that range from picoseconds to nanoseconds and from 1 to 10,000 angstrom, respectively. The particular sensitivity of neutrons to the isotopes of hydrogen makes selective deuterium labeling of biological systems an essential tool for maximizing the return from neutron scattering experiments. In neutron protein crystallography, the use of fully deuterated protein crystals improves the signal-to-noise ratio of the data by an order of magnitude and enhances the visibility of the molecular structure (Proc Natl Acad Sci U S A 97:3872-3877, 2000; Acta Crystallogr D Biol Crystallogr 61:1413-1417, 2005; Acta Crystallogr D Biol Crystallogr 61:539-544, 2005). In solution and surface scattering experiments, the incorporation of deuterium-labeled Subunits or components into complex assemblies or structures makes it possible to deconvolute the scattering of the labeled and unlabeled subunits and to determine their relative dispositions),within the complex (J Mol Biol 93:255-265, 1975). With multiple labeling patterns, it is also possible to reconstruct the locations Of multiple Subunits in ternary and higher-order complexes (Science 238:1403-1406, 1987; J Mol Biol 271:588-601, 1997; J Biol Chem 275:14432-14439, 2000; Biochemistry 42:7790-7800, 2003). In inelastic neutron scattering experiments, which probe hydrogen dynamics in biological materials, the application of site, residue, or region-specific hydrogen-deuterium-labeling patterns can be used to distinguish and highlight the specific dynamics within a system (Proc Natl Acad Sci U S A 95:4970-4975, 1998). Partial, selective, or fully deuterated proteins can be readily produced by endogenous expression of recombinant proteins in bacterial systems that are adapted to growth in D2O solution and using selectively deuterated carbon sources. Adaptation can be achieved either by gradual step-wise increase in D2O concentration or, more directly, by plating cells on media of choice and selecting colonies that perform best for Subsequent culture and inoculation. Scale-Up growth and expression is typically performed in standard shaker flasks using either commercial or "home-grown" rich media (derived, for example, from cell lysates produced from algae grown in D2O or under more controlled conditions in defined minimal media. Cell growth is typically slower in deuterated media (>5 times slower) and yields arc correspondingly lower. Once the target protein has been expressed, purification proceeds by the protocols developed for the hydrogenated protein. The deuteration levels of the final product arc determined by mass spectrometry. C1 [Meilleur, Flora] N Carolina State Univ, Dept Mol & Struct Biochem, Raleigh, NC 27695 USA. [Meilleur, Flora] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN USA. [Weiss, Kevin L.; Myles, Dean A. A.] Oak Ridge Natl Lab, Ctr Struct Mol Biol, Oak Ridge, TN USA. RP Meilleur, F (reprint author), N Carolina State Univ, Dept Mol & Struct Biochem, Raleigh, NC 27695 USA. RI Weiss, Kevin/I-4669-2013; myles, dean/D-5860-2016 OI Weiss, Kevin/0000-0002-6486-8007; myles, dean/0000-0002-7693-4964 NR 14 TC 17 Z9 17 U1 1 U2 13 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA SN 1064-3745 BN 978-1-934115-40-4 J9 METHODS MOL BIOL JI Methods Mol. Biol. PY 2009 VL 544 BP 281 EP 292 DI 10.1007/978-1-59745-483-4_18 D2 10.1007/978-1-59745-483-4 PG 12 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA BKY35 UT WOS:000269610900018 PM 19488706 ER PT S AU Heller, WT Littrell, KC AF Heller, William T. Littrell, Kenneth C. BE Lee, JW Foote, RS TI Small-Angle Neutron Scattering for Molecular Biology: Basics and Instrumentation SO MICRO AND NANO TECHNOLOGIES IN BIOANALYSIS: METHODS AND PROTOCOLS SE Methods in Molecular Biology LA English DT Article; Book Chapter DE Small-angle scattering; Neutrons; Contrast variation; User facilities ID RESEARCH-REACTOR; SANS INSTRUMENT; FRM-II; SPECTROMETER; DIFFRACTOMETER; INSTITUTE; HANARO; BERLIN; KOREA AB As researchers strive to understand the interplay between the complex Molecular systems that make Lip living cells, tools for characterizing the interactions between the various players involved have developed. Small-angle neutron scattering (SANS) plays an important role in building a molecular-level understanding of the structures of macromolecular systems that make up cells. SANS is widely applicable to the stud), of biological structures including, but by no means limited to, protein-protein or protein-nucleic acid complexes, lipid membranes, cellular scaffolding, and amyloid plaques. Here, we present a brief description of the technique as it is commonly applied to the study of biological systems and an overview instrumentation that is available at the various facilities around the world. C1 [Heller, William T.] Oak Ridge Natl Lab, Ctr Struct Mol Biol, Oak Ridge, TN USA. [Littrell, Kenneth C.] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN USA. RP Heller, WT (reprint author), Oak Ridge Natl Lab, Ctr Struct Mol Biol, Oak Ridge, TN USA. RI Littrell, Kenneth/D-2106-2013 OI Littrell, Kenneth/0000-0003-2308-8618 NR 31 TC 0 Z9 0 U1 1 U2 4 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA SN 1064-3745 BN 978-1-934115-40-4 J9 METHODS MOL BIOL JI Methods Mol. Biol. PY 2009 VL 544 BP 293 EP 305 DI 10.1007/978-1-59745-483-4_19 D2 10.1007/978-1-59745-483-4 PG 13 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA BKY35 UT WOS:000269610900019 PM 19488707 ER PT S AU Giannone, RJ Liu, Y Wang, YS AF Giannone, Richard J. Liu, Yie Wang, Yisong BE Lee, JW Foote, RS TI The Monitoring and Affinity Purification of Proteins Using Dual Tags with Tetracysteine Motifs SO MICRO AND NANO TECHNOLOGIES IN BIOANALYSIS: METHODS AND PROTOCOLS SE Methods in Molecular Biology LA English DT Article; Book Chapter DE Dual-tags; TEV protease; Affinity purification; Freeze/thaw lysis; Tetracysteine motifs; FIAsH; Lumio; Subcellular localization; In-gel detection; Live cell monitoring; Fixed cell detection; TRF2; Mammalian protein complex; Mass spectrometry ID MAMMALIAN-CELLS; LIVE CELLS; COMPLEXES; IDENTIFICATION; PROTEOMICS; SYSTEM AB Identification and characterization of protein-protein interaction networks is essential for the elucidation of biochemical mechanisms and cellular function. Affinity purification in combination with liquid chromatography-tandem mass spectrometry (LC-MS/MS) has emerged as a very powerful tactic for the identification of specific protein-protein interactions. In this chapter, we describe a comprehensive methodology that uses our recently developed dual-tag affinity purification system for the enrichment and identification of mammalian protein complexes. The protocol covers a series of separate but sequentially related techniques focused oil the facile monitoring and purification of a dual-tagged protein of interest and its interacting partners via a system built with tetracysteine motifs and various combinations of affinity tags. Using human telomeric repeat binding factor 2 (TRF2) as an example, we demonstrate the power of the system in terms of bait protein recovery after dual-tag affinity purification, detection of bait protein subcellular localization and expression, and successful identification of known and potentially novel TRF2 interacting proteins. Although the protocol described here has been optimized for the identification and characterization of TRF2-associated proteins, it is, in principle, applicable to the study of any other mammalian protein complexes that may be of interest to the research community. C1 [Giannone, Richard J.; Liu, Yie; Wang, Yisong] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. [Giannone, Richard J.] Univ Tennessee, Grad Sch Genome Sci & Technol, Oak Ridge Natl Lab, Knoxville, TN USA. RP Giannone, RJ (reprint author), Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. NR 21 TC 3 Z9 3 U1 0 U2 2 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA SN 1064-3745 BN 978-1-934115-40-4 J9 METHODS MOL BIOL JI Methods Mol. Biol. PY 2009 VL 544 BP 421 EP 438 DI 10.1007/978-1-59745-483-4_28 D2 10.1007/978-1-59745-483-4 PG 18 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA BKY35 UT WOS:000269610900028 PM 19488716 ER PT S AU Yang, YF AF Yang, Yunfeng BE Lee, JW Foote, RS TI Use of Genomic DNA as Reference in DNA Microarrays SO MICRO AND NANO TECHNOLOGIES IN BIOANALYSIS: METHODS AND PROTOCOLS SE Methods in Molecular Biology LA English DT Article; Book Chapter DE DNA microarray; Genomic DNA; Universal reference; Microbe ID TRANSCRIPTIONAL ANALYSIS; GENE-EXPRESSION AB DNA microarray has become a mainstream technology to explore gene expression profiles, identify novel genes involved in a biological process of interest and predict their function, and determine biomarkers that are relevant to a given phenotype or disease. Typical two-channel microarray studies use an experimental design called the complementary DNA (cDNA) reference method, in which samples from test and control conditions arc compared directly on a microarray slide. A substantial limitation of this strategy is that it is nearly impossible to compare data between experiments because the reference sample composition is subjected to changes at the level of experimental design and thereby not consistent from one experiment to another. Using genomic DNA as common reference will effectively overcome this limitation. This chapter describes detailed methods to prepare genomic DNA of high quality, label with fluorescent dye, co-hybridize with cDNA samples, and the Subsequent data analyses. In addition, notes are provided to help the readers to obtain optimal results using the procedure. C1 Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. RP Yang, YF (reprint author), Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. RI Yang, Yunfeng/H-9853-2013 OI Yang, Yunfeng/0000-0001-8274-6196 NR 10 TC 2 Z9 2 U1 0 U2 1 PU HUMANA PRESS INC PI TOTOWA PA 999 RIVERVIEW DR, STE 208, TOTOWA, NJ 07512-1165 USA SN 1064-3745 BN 978-1-934115-40-4 J9 METHODS MOL BIOL JI Methods Mol. Biol. PY 2009 VL 544 BP 439 EP 450 DI 10.1007/978-1-59745-483-4_29 D2 10.1007/978-1-59745-483-4 PG 12 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA BKY35 UT WOS:000269610900029 PM 19488717 ER PT J AU Baker-Austin, C McArthur, JV Lindell, AH Wright, MS Tuckfield, RC Gooch, J Warner, L Oliver, J Stepanauskas, R AF Baker-Austin, Craig McArthur, J. V. Lindell, Angela H. Wright, Meredith S. Tuckfield, R. Cary Gooch, Jan Warner, Liza Oliver, James Stepanauskas, Ramunas TI Multi-site Analysis Reveals Widespread Antibiotic Resistance in the Marine Pathogen Vibrio vulnificus SO MICROBIAL ECOLOGY LA English DT Article ID IN-VITRO; NONCULTURABLE STATE; GENES; PARAHAEMOLYTICUS; BACTERIA; OYSTERS; METALS; SUSCEPTIBILITY; COMMUNITIES; ENUMERATION AB Vibrio vulnificus is a serious opportunistic human pathogen commonly found in subtropical coastal waters, and is the leading cause of seafood-borne mortality in the USA. This taxon does not sustain prolonged presence in clinical or agricultural settings, where it would undergo human-induced selection for antibiotic resistance. Therefore, few studies have verified the effectiveness of commonly prescribed antibiotics in V. vulnificus treatment. Here we screened 151 coastal isolates and 10 primary septicaemia isolates against 26 antimicrobial agents representing diverse modes of action. The frequency of multiple resistances to antibiotics from all sources was unexpectedly high, particularly during summer months, and a substantial proportion of isolates (17.3%) were resistant to eight or more antimicrobial agents. Numerous isolates demonstrated resistance to antibiotics routinely prescribed for V. vulnificus infections, such as doxycycline, tetracycline, aminoglycosides and cephalosporins. These resistances were detected at similar frequencies in virulent and non-virulent strains (PCR-based virulence typing) and were present in septicaemia isolates, underlying the public health implications of our findings. Among environmental isolates, there were no consistent differences in the frequency of resistance between pristine and anthropogenically impacted estuaries, suggesting natural rather than human-derived sources of resistance traits. This report is the first to demonstrate prevalent antibiotic resistance in a human pathogen with no clinical reservoirs, implying the importance of environmental studies in understanding the spread, evolution and public health relevance of antibiotic resistance factors. C1 [Baker-Austin, Craig] Ctr Environm Fisheries & Aquaculture Sci, Weymouth Lab, Weymouth DT4 8UB, Dorset, England. [Baker-Austin, Craig; McArthur, J. V.; Lindell, Angela H.; Wright, Meredith S.] Savannah River Ecol Lab, Aiken, SC USA. [Tuckfield, R. Cary] Savannah River Natl Lab, Aiken, SC USA. [Gooch, Jan] Natl Oceanog & Atmospher Adm, Charleston, SC USA. [Warner, Liza; Oliver, James] Univ N Carolina, Dept Biol, Charlotte, NC 28223 USA. [Stepanauskas, Ramunas] Bigelow Lab Ocean Sci, W Boothbay Harbor, ME USA. RP Baker-Austin, C (reprint author), Ctr Environm Fisheries & Aquaculture Sci, Weymouth Lab, Weymouth DT4 8UB, Dorset, England. EM craig.baker-austin@cefas.co.uk OI Stepanauskas, Ramunas/0000-0003-4458-3108 FU National Oceanographic and Atmospheric Administration (NOAA) [NA04OAR4600198, NA05NOS4781244]; US Department of Energy Financial Assistance Award [DE-FC09-96SR18546] FX We thank Blaine West, Charles Zemp, Kirk Kessler, Richard Gregory, and Marc Frischer for help accessing field sample collection sites. Brian Thompson and Brian Robinson are acknowledged for their assistance in isolate preparation. This work was supported by the National Oceanographic and Atmospheric Administration (NOAA) awards NA04OAR4600198 to Stepanauskas and NA05NOS4781244 to Oliver. Additional support was provided from the US Department of Energy Financial Assistance Award DE-FC09-96SR18546 to the University of Georgia Research Foundation. NR 48 TC 31 Z9 34 U1 0 U2 16 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0095-3628 J9 MICROB ECOL JI Microb. Ecol. PD JAN PY 2009 VL 57 IS 1 BP 151 EP 159 DI 10.1007/s00248-008-9413-8 PG 9 WC Ecology; Marine & Freshwater Biology; Microbiology SC Environmental Sciences & Ecology; Marine & Freshwater Biology; Microbiology GA 387LI UT WOS:000261953300015 PM 18642041 ER PT J AU Dill, BD Dessus-Babus, S Raulston, JE AF Dill, Brian D. Dessus-Babus, Sophie Raulston, Jane E. TI Identification of iron-responsive proteins expressed by Chlamydia trachomatis reticulate bodies during intracellular growth SO MICROBIOLOGY-SGM LA English DT Article ID SEROVAR-E; IN-VITRO; SALMONELLA-TYPHIMURIUM; ESCHERICHIA-COLI; GENE; INFECTION; PATHOGEN; PERSISTENCE; RESTRICTION; PNEUMONIAE AB The obligate intracellular bacterium Chlamydia trachomatis serovar E is the most prevalent cause of bacterial sexually transmitted disease. With an established requirement for iron, the developmental cycle arrests at the intracellular reticulate body stage during iron restriction, resulting in a phenomenon termed persistence. Persistence has implications in natural infections for altered expression of virulence factors and antigens, in addition to a potential role in producing chronic infection. In this study, chlamydial proteins in iron-restricted, infected HEC-1B cells were radiolabelled during mid-developmental cycle growth, harvested, and separated using two-dimensional polyacrylamide gel electrophoresis (2D-PAGE). Of similar to 250 radiolabelled protein species visualized, densitometric analysis revealed 25 proteins that increased in expression under iron restriction compared to iron-sufficient control samples; ten protein species identified by mass spectrometry are involved in the oxidative damage response (alkyl hydroperoxide reductase, 6-phosphogluconolactonase and acyl carrier protein synthase), transcription (RNA polymerase subunit alpha and transcription anti-termination factors NusA and NusG), protein modification (peptide deformylase and trigger factor), and virulence (Chlamydia protein associating with death domains, CADD). Transcript-level expression patterns of ahpC, devB, cadd, fabF and ct538 were measured by quantitative RT-PCR throughout the developmental cycle, and each gene examined demonstrated a significant but small mid-cycle increase in transcript level in iron-restricted cultures compared to iron-replete controls. Taken together, these data suggest that the primary response of chlamydiae to reduced iron availability is to increase expression of proteins involved in protection against oxidative damage via iron-catalysed generation of reactive oxygen species and adaptation to stress by increasing expression of transcriptional machinery and other stress-responsive proteins. C1 [Dill, Brian D.; Dessus-Babus, Sophie; Raulston, Jane E.] E Tennessee State Univ, James H Quillen Coll Med, Dept Microbiol, Johnson City, TN 37614 USA. RP Dill, BD (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Organ & Biol Mass Spectrometry Grp, POB 2008,MS6131, Oak Ridge, TN 37831 USA. EM dillbd@ornl.gov OI Dill, Brian/0000-0002-4532-3044 FU Public Health Services [AI040915] FX This work was Supported by Public Health Services grant AI040915 to J.E.R. through the National Institutes of Allergy and Infectious Diseases. We acknowledge Mary Ann Gawinowicz and the Columbia University Medical Center Protein Core Facility for mass spectrometry analysis and protein identification and the Quillen College of Medicine Molecular Biology Core Facility for the use of the robotic workstation Beckman Biomek 2000 and Bio-Rad iCycler for quantitative PCR, with special technical assistance from Rhesa Dykes. We also thank P. B. Wyrick (East Tennessee State University Quillen College of Medicine) for helpful discussion and manuscript review. NR 49 TC 8 Z9 9 U1 0 U2 1 PU SOC GENERAL MICROBIOLOGY PI READING PA MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND SN 1350-0872 J9 MICROBIOL-SGM JI Microbiology-(UK) PD JAN PY 2009 VL 155 BP 210 EP 219 DI 10.1099/mic.0.022731-0 PG 10 WC Microbiology SC Microbiology GA 398KG UT WOS:000262730400022 PM 19118361 ER PT S AU Berman, GP Chernobrod, BM Bishop, AR Gorshkov, VN AF Berman, Gennady P. Chernobrod, Boris M. Bishop, Alan R. Gorshkov, Vyacheslav N. BE Maher, MA Chih, JC Resnick, PJ TI Uncooled infrared and terahertz detectors based on micromechanical mirror as a radiation pressure sensor SO MICROMACHINING AND MICROFABRICATION PROCESS TECHNOLOGY XIV SE Proceedings of SPIE-The International Society for Optical Engineering LA English DT Proceedings Paper CT Conference on Micromachining and Microfabrication Process Technology XIV CY JAN 27, 2009 CL San Jose, CA SP SPIE, Texas Instruments Inc, NanoInk Inc, Boston Univ, Photonics Ctr, Ozen Engn Inc DE Terahertz; cantilever; radiation pressure; micromirror ID QUANTUM CASCADE LASERS; INTENSITY NOISE; PERFORMANCE; MICROMIRROR; SENSITIVITY; CAVITY AB We consider midinfrared (5 - 25 mu m) and terahertz (100 - 1000 mu m), room-temperature detectors based on a microcantilever/micromirror sensor of the radiation pressure. The significant enhancement of sensitivity is due the combination of non-absorption detection and a high quality optical microcavity. Applications for spectrometry and imaging are analyzed. It is shown that the radiation pressure sensor potentially has sensitivity at the level of or better than the best conventional uncooled detectors. C1 [Berman, Gennady P.; Chernobrod, Boris M.; Gorshkov, Vyacheslav N.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Berman, GP (reprint author), Los Alamos Natl Lab, Div Theoret, MS 213, Los Alamos, NM 87545 USA. EM gpb@lanl.gov OI Gorshkov, Vyacheslav/0000-0002-7700-5649 NR 17 TC 1 Z9 1 U1 0 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7450-6 J9 P SOC PHOTO-OPT INS PY 2009 VL 7204 AR 720403 DI 10.1117/12.812541 PG 12 WC Nanoscience & Nanotechnology; Optics; Physics, Applied SC Science & Technology - Other Topics; Optics; Physics GA BST66 UT WOS:000285749700002 ER PT J AU Barabash, RI Ice, GE Liu, WJ Barabash, OM AF Barabash, Rozaliya I. Ice, Gene E. Liu, Wenjun Barabash, Oleg M. TI Polychromatic microdiffraction characterization of defect gradients in severely deformed materials SO MICRON LA English DT Review DE X-ray microdiffraction; Three-dimensional microscopy; Three-dimensional reconstruction; Severe plastic deformation ID X-RAY-DIFFRACTION; LATTICE PLANE MISORIENTATIONS; RESOLVED STRAIN-MEASUREMENTS; RANGE INTERNAL-STRESSES; STRUCTURAL MICROSCOPY; DISLOCATION DENSITY; MUSHY LAYERS; VECTOR MODE; CRYSTALS; DEFORMATION AB This paper analyzes local lattice rotations introduced in severely deformed polycrystalline titanium by friction stir welding. Nondestructive three-dimensional (3D) spatially resolved polychromatic X-ray microdiffraction, is used to resolve the local crystal structure of the restructured surface from neighboring local structures in the sample material. The measurements reveal strong gradients of strain and geometrically necessary dislocations near the surface and illustrate the potential of polychromatic microdiffraction for the study of deformation in complex materials systems. (C) 2008 Elsevier Ltd. All rights reserved. C1 [Barabash, Rozaliya I.; Ice, Gene E.; Barabash, Oleg M.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Barabash, Rozaliya I.] Univ Tennessee, Ctr Mat Proc, Knoxville, TN USA. [Liu, Wenjun] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Barabash, RI (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM barabashr@ornl.gov FU Division of Materials Science and Engineering, Office of Basic Energy Science; U.S. Department of Energy, Office of Science, and Office of Basic Energy Science FX This research is supported by the Division of Materials Science and Engineering, Office of Basic Energy Science. Use of the Advanced Photon Source (W.L.) was supported by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Science. NR 41 TC 19 Z9 19 U1 2 U2 27 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0968-4328 J9 MICRON JI Micron PD JAN PY 2009 VL 40 IS 1 SI SI BP 28 EP 36 DI 10.1016/j.micron.2008.03.010 PG 9 WC Microscopy SC Microscopy GA 379UE UT WOS:000261420900006 PM 18472271 ER PT B AU Van Leeuwen, B Burton, D Onunkwo, U McDonald, M AF Van Leeuwen, Brian Burton, David Onunkwo, Uzoma McDonald, Michael GP IEEE TI SIMULATED, EMULATED, AND PHYSICAL INVESTIGATIVE ANALYSIS (SEPIA) OF NETWORKED SYSTEMS SO MILCOM 2009 - 2009 IEEE MILITARY COMMUNICATIONS CONFERENCE, VOLS 1-4 SE IEEE Military Communications Conference LA English DT Proceedings Paper CT IEEE Military Communications Conference (MILCOM 2009) CY OCT 18-21, 2009 CL Boston, MA SP IEEE AB Tools are necessary for the DoD to analyze their information system's security, reliability, and resilience against cyber attack. Today's security analysis utilize real systems such as computers, network routers and other network equipment, computer emulations (e.g., virtual machines) and simulation models separately to analyze interplay between threats and safeguards. In contrast, we are developing new methods to combine these three approaches to provide hybrid Simulated, Emulated, and Physical Investigative Analysis (SEPIA) environments. Sandia Labs' current SEPIA environment enables simulated networks to pass network traffic and perform, from the outside, like real networks. We connect both emulated and physical routers and computers to the simulated networks. This provides higher fidelity representations of key network nodes while still leveraging the scalability and cost advantages of simulation tools. SEPIA includes tools that facilitate rapid configuration and deployment of experiments. The result is to rapidly produce large yet relatively low-cost multi-fidelity SEPIA networks of computers and routers that let analysts quickly investigate threats and test protection approaches. C1 [Van Leeuwen, Brian; Burton, David; Onunkwo, Uzoma; McDonald, Michael] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Van Leeuwen, B (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM bpvanle@sandia.gov; dburton@sandia.gov; uonunkw@sandia.gov; mack@sandia.gov NR 4 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4244-5238-5 J9 IEEE MILIT COMMUN C PY 2009 BP 670 EP 676 PG 7 WC Engineering, Electrical & Electronic; Telecommunications SC Engineering; Telecommunications GA BQA52 UT WOS:000280509900098 ER PT B AU Riblett, LE Witzke, EL AF Riblett, Loren E. Witzke, Edward L. GP IEEE TI FINDINGS ON THE SUITABILITY OF 802.11 FOR HIGHLY MOBILE BROADBAND NETWORKS SO MILCOM 2009 - 2009 IEEE MILITARY COMMUNICATIONS CONFERENCE, VOLS 1-4 SE IEEE Military Communications Conference LA English DT Proceedings Paper CT IEEE Military Communications Conference (MILCOM 2009) CY OCT 18-21, 2009 CL Boston, MA SP IEEE ID CHANNEL AB As the world becomes increasingly dependent on dynamic and up-to-the-moment information, we recognize that broadband networks must be able to convey this information timely and wirelessly, to and from users in motion. Varieties of 802.11 compliant equipment and other types of broadband wireless equipment have been proposed for, and in some areas, being used to meet this need. There have been questions about the suitability of 802.11-based equipment for broadband networks that have to operate at vehicular speeds. Prior literature in the field has illustrated some of the problems, but is generally short on specific results from testing. At our facility, we have a wireless networking test bed that includes 802.11-based equipment, as well as equipment supporting other protocols. We conducted mobile connectivity and throughput experiments at different rates of speed to examine how 802.11-based equipment performs in the mobile broadband wireless network role. We also conducted the same experiments using Motorola's Mesh-Enabled Architecture. This paper presents those results. After summarizing the previous work by others in this area, we describe the layout of the wireless testbed, the structure of the experiments and how the experiments were conducted. Next, we present and analyze the results of the experiments, and finally offer our conclusions. C1 [Riblett, Loren E.; Witzke, Edward L.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Riblett, LE (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM lerible@sandia.gov; elwitzk@sandia.gov NR 12 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4244-5238-5 J9 IEEE MILIT COMMUN C PY 2009 BP 1642 EP 1648 PG 7 WC Engineering, Electrical & Electronic; Telecommunications SC Engineering; Telecommunications GA BQA52 UT WOS:000280509901039 ER PT B AU Rao, NSV Poole, SW Hicks, SE Kemper, C Hodson, S Hinkel, G Lothian, J AF Rao, Nageswara S. V. Poole, Stephen W. Hicks, Susan E. Kemper, Chris Hodson, Steve Hinkel, Greg Lothian, Josh GP IEEE TI Experimental Study of Wide-Area 10 Gbps IP Transport Technologies SO MILCOM 2009 - 2009 IEEE MILITARY COMMUNICATIONS CONFERENCE, VOLS 1-4 SE IEEE Military Communications Conference LA English DT Proceedings Paper CT IEEE Military Communications Conference (MILCOM 2009) CY OCT 18-21, 2009 CL Boston, MA SP IEEE DE Network test-bed; 10 GigE WAN-PHY; encryptors; HAIPE; TCP; UDP; UDT AB A number of large-scale applications require 10 Gbps data transport rates between high-performance computing, storage and le systems, which are connected over wide-area networks. Achieving such capability requires end-to-end optimization of all required hardware and software components including: (i) long haul SONET or 10 GigE connections; (ii) transport protocols such as TCP and UDT, (iii) encryption devices deployed at connection end points, and (iv) host computing, storage and le systems. We present a systematic experimental study of these technologies over 10 Gbps wide-area connections. We rst describe a national-scale network testbed with high-performance edge and host systems, which supports dynamic provisioning of 10 Gbps connections of varying lengths. We generate the performance pro les for TCP and UDP with and without encryption devices, and qualitatively describe the effects of latter on transport methods. For le transfers using TCP and UDT, the encryption devices have the equivalent effect of reduced latency and smoother dynamics, respectively, due to on-board buffers. Our experimental results show that these encryption devices lead to higher or smoother le transfer throughputs in spite of the added latency due to packet encryption and decryption. C1 [Rao, Nageswara S. V.; Poole, Stephen W.; Hicks, Susan E.; Kemper, Chris; Hodson, Steve; Hinkel, Greg; Lothian, Josh] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Rao, NSV (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. NR 9 TC 0 Z9 0 U1 0 U2 4 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4244-5238-5 J9 IEEE MILIT COMMUN C PY 2009 BP 1715 EP 1721 PG 7 WC Engineering, Electrical & Electronic; Telecommunications SC Engineering; Telecommunications GA BQA52 UT WOS:000280509901050 ER PT S AU Miner, NE Lawton, CR Welch, KM Van Leeuwen, BP Kelsch, G AF Miner, Nadine E. Lawton, Craig R. Welch, Kim M. Van Leeuwen, Brian P. Kelsch, Geoff GP IEEE TI INCORPORATING HIGH-FIDELITY NETWORKED COMMUNICATIONS MODELING IN THE EVALUATION OF LARGE-SCALE SYSTEM-OF-SYSTEMS SO MILCOM 2009 - 2009 IEEE MILITARY COMMUNICATIONS CONFERENCE, VOLS 1-4 SE IEEE Military Communications Conference LA English DT Proceedings Paper CT IEEE Military Communications Conference (MILCOM 2009) CY OCT 18-21, 2009 CL Boston, MA SP IEEE AB Military force structures are becoming increasingly complex and net-centric as new technologies are developed and deployed. As such, there is an ever increasing need to provide system-of-systems (SoS) analysis tools to assist in evaluating a militia!), combat team's survivability, lethality, sustainment and logistics. Evaluation of networked communications as part of this analysis is often overlooked due to the complexity and scope of the communications problem. A team lead by Sandia National Laboratories (SNL) is developing net-centric SoS modeling and analysis capabilities by integrating high-fidelity networked communications modeling with a large-scale, SoS simulation and analysis tool. The combined modeling approach brings together the strengths of each tool to achieve complex, net-centric SoS analysis. This paper describes the combined modeling and simulation(M&S) capability and presents example analysis results from the completed phase-one effort. Experiments conducted show the effect of functional communications on a combat team's survivability at a SoS-level. The result is an approach that bridges the gap in high-fidelity communications modeling with logistics and survivability for large-scale SoS problems. C1 [Miner, Nadine E.; Lawton, Craig R.; Welch, Kim M.; Van Leeuwen, Brian P.] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. [Kelsch, Geoff] Agile Commun Inc, Rancho Cordova, CA USA. RP Miner, NE (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 4 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2155-7578 BN 978-1-4244-5238-5 J9 IEEE MILIT COMMUN C PY 2009 BP 1890 EP + PG 2 WC Engineering, Electrical & Electronic; Telecommunications SC Engineering; Telecommunications GA BQA52 UT WOS:000280509901076 ER PT J AU Sobieraj, JA Gibbs, SG Steele, H Harris, MD Tarwater, PM Ortiz, M AF Sobieraj, Josef A. Gibbs, Shawn G. Steele, Heath Harris, Mark D. Tarwater, Patrick M. Ortiz, Melchor TI Hearing Threshold Comparisons between 2001-02 NHANES and 2003-05 Fort Bliss US Army Service Components SO MILITARY MEDICINE LA English DT Article ID CONSERVATION PROGRAM; NAVY; PROTECTION; GENDER; AGE AB This study compares population mean hearing threshold levels in decibels (dB) at 4 kHz among the 2001-02 National Health and Nutrition Examination Survey (NHANES) (n = 1,872) and the 2003-05 Fort Bliss Army Active Duty (AD) (n = 9,096), National Guard (NG) (n = 3,842), and Reserve Components (RC) (n = 2,025) and by gender. Comparisons between male populations show that mean hearing thresholds are not significantly different (p < 0.05) between U.S. Army Active Duty males and NHANES males, which differ from a 1984 U.S. Army Active Duty/1971-74 NHANES study showing significantly higher hearing thresholds for the Army Active Duty population. In addition, this study shows that Active Duty males have significantly lower hearing thresholds than National Guard males at ages <40 years old. Female groups generally have significantly lower hearing thresholds than male groups at all ages, but there are not significant differences between female military and civilian populations. C1 [Sobieraj, Josef A.; Steele, Heath; Harris, Mark D.] William Beaumont Army Med Ctr, Dept Prevent Med, El Paso, TX 79920 USA. [Sobieraj, Josef A.] US DOE, Idaho Operat Off, Idaho Falls, ID 83415 USA. [Gibbs, Shawn G.; Tarwater, Patrick M.; Ortiz, Melchor] Univ Texas El Paso, Sch Publ Hlth, El Paso, TX 79902 USA. RP Sobieraj, JA (reprint author), William Beaumont Army Med Ctr, Dept Prevent Med, 5005 N Piedras St, El Paso, TX 79920 USA. NR 28 TC 0 Z9 0 U1 0 U2 1 PU ASSOC MILITARY SURG US PI BETHESDA PA 9320 OLD GEORGETOWN RD, BETHESDA, MD 20814 USA SN 0026-4075 J9 MIL MED JI Milit. Med. PD JAN PY 2009 VL 174 IS 1 BP 42 EP 46 PG 5 WC Medicine, General & Internal SC General & Internal Medicine GA 601LN UT WOS:000278061100008 PM 19216297 ER PT S AU Stapp, HP AF Stapp, Henry P. BA Stapp, HP BF Stapp, HP TI . . . and then a Miracle Occurs SO MIND, MATTER AND QUANTUM MECHANICS, THIRD EDITION SE Frontiers Collection LA English DT Article; Book Chapter C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Stapp, HP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM hpstapp@lbl.gov; hpstapp@lbl.gov NR 14 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1612-3018 BN 978-3-540-89654-8 J9 FRONT COLLECT PY 2009 SI 3 BP 3 EP 37 DI 10.1007/978-3-540-89654-8_1 D2 10.1007/978-3-540-89654-8 PG 35 WC History & Philosophy Of Science SC History & Philosophy of Science GA BLJ71 UT WOS:000270319000004 ER PT S AU Stapp, HP AF Stapp, Henry P. BA Stapp, HP BF Stapp, HP TI MIND, MATTER AND QUANTUM MECHANICS Third Edition Preface to the Third Edition SO MIND, MATTER AND QUANTUM MECHANICS, THIRD EDITION SE Frontiers Collection LA English DT Editorial Material; Book Chapter C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Stapp, HP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM hpstapp@lbl.gov; hpstapp@lbl.gov NR 17 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1612-3018 BN 978-3-540-89654-8 J9 FRONT COLLECT PY 2009 SI 3 BP VII EP + D2 10.1007/978-3-540-89654-8 PG 3 WC History & Philosophy Of Science SC History & Philosophy of Science GA BLJ71 UT WOS:000270319000001 ER PT S AU Stapp, HP AF Stapp, Henry P. BA Stapp, HP BF Stapp, HP TI MIND, MATTER AND QUANTUM MECHANICS Third Edition Preface to the Second Edition SO MIND, MATTER AND QUANTUM MECHANICS, THIRD EDITION SE Frontiers Collection LA English DT Editorial Material; Book Chapter C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Stapp, HP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM hpstapp@lbl.gov; hpstapp@lbl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1612-3018 BN 978-3-540-89654-8 J9 FRONT COLLECT PY 2009 SI 3 BP IX EP IX D2 10.1007/978-3-540-89654-8 PG 1 WC History & Philosophy Of Science SC History & Philosophy of Science GA BLJ71 UT WOS:000270319000002 ER PT S AU Stapp, HP AF Stapp, Henry P. BA Stapp, HP BF Stapp, HP TI MIND, MATTER AND QUANTUM MECHANICS Third Edition Preface to the First Edition SO MIND, MATTER AND QUANTUM MECHANICS, THIRD EDITION SE Frontiers Collection LA English DT Editorial Material; Book Chapter C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Stapp, HP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM hpstapp@lbl.gov; hpstapp@lbl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1612-3018 BN 978-3-540-89654-8 J9 FRONT COLLECT PY 2009 SI 3 BP X EP XII D2 10.1007/978-3-540-89654-8 PG 3 WC History & Philosophy Of Science SC History & Philosophy of Science GA BLJ71 UT WOS:000270319000003 ER PT S AU Stapp, HP AF Stapp, Henry P. BA Stapp, HP BF Stapp, HP TI A Quantum Theory of Consciousness SO MIND, MATTER AND QUANTUM MECHANICS, THIRD EDITION SE Frontiers Collection LA English DT Article; Book Chapter ID NEOCORTICAL INTERACTIONS; STATISTICAL-MECHANICS C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Stapp, HP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM hpstapp@lbl.gov; hpstapp@lbl.gov NR 13 TC 0 Z9 1 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1612-3018 BN 978-3-540-89654-8 J9 FRONT COLLECT PY 2009 SI 3 BP 39 EP 47 DI 10.1007/978-3-540-89654-8_2 D2 10.1007/978-3-540-89654-8 PG 9 WC History & Philosophy Of Science SC History & Philosophy of Science GA BLJ71 UT WOS:000270319000005 ER PT S AU Stapp, HP AF Stapp, Henry P. BA Stapp, HP BF Stapp, HP TI The Copenhagen Interpretation SO MIND, MATTER AND QUANTUM MECHANICS, THIRD EDITION SE Frontiers Collection LA English DT Article; Book Chapter ID RELATIVE STATE FORMULATION; QUANTUM MECHANICS; REALITY C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Stapp, HP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM hpstapp@lbl.gov; hpstapp@lbl.gov NR 28 TC 0 Z9 0 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1612-3018 BN 978-3-540-89654-8 J9 FRONT COLLECT PY 2009 SI 3 BP 51 EP 80 DI 10.1007/978-3-540-89654-8_3 D2 10.1007/978-3-540-89654-8 PG 30 WC History & Philosophy Of Science SC History & Philosophy of Science GA BLJ71 UT WOS:000270319000006 ER PT S AU Stapp, HP AF Stapp, Henry P. BA Stapp, HP BF Stapp, HP TI Mind, Matter, and Quantum Mechanics SO MIND, MATTER AND QUANTUM MECHANICS, THIRD EDITION SE Frontiers Collection LA English DT Article; Book Chapter ID BELLS THEOREM; LOCALITY C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Stapp, HP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM hpstapp@lbl.gov; hpstapp@lbl.gov NR 32 TC 3 Z9 3 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1612-3018 BN 978-3-540-89654-8 J9 FRONT COLLECT PY 2009 SI 3 BP 81 EP 118 DI 10.1007/978-3-540-89654-8_4 D2 10.1007/978-3-540-89654-8 PG 38 WC History & Philosophy Of Science SC History & Philosophy of Science GA BLJ71 UT WOS:000270319000007 ER PT S AU Stapp, HP AF Stapp, Henry P. BA Stapp, HP BF Stapp, HP TI A Quantum Theory of the Mind-Brain Interface SO MIND, MATTER AND QUANTUM MECHANICS, THIRD EDITION SE Frontiers Collection LA English DT Article; Book Chapter C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Stapp, HP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM hpstapp@lbl.gov; hpstapp@lbl.gov NR 20 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1612-3018 BN 978-3-540-89654-8 J9 FRONT COLLECT PY 2009 SI 3 BP 119 EP 146 DI 10.1007/978-3-540-89654-8_5 D2 10.1007/978-3-540-89654-8 PG 28 WC History & Philosophy Of Science SC History & Philosophy of Science GA BLJ71 UT WOS:000270319000008 ER PT S AU Stapp, HP AF Stapp, Henry P. BA Stapp, HP BF Stapp, HP TI Mind, Matter, and Pauli SO MIND, MATTER AND QUANTUM MECHANICS, THIRD EDITION SE Frontiers Collection LA English DT Article; Book Chapter C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Stapp, HP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM hpstapp@lbl.gov; hpstapp@lbl.gov NR 13 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1612-3018 BN 978-3-540-89654-8 J9 FRONT COLLECT PY 2009 SI 3 BP 149 EP 157 DI 10.1007/978-3-540-89654-8_6 D2 10.1007/978-3-540-89654-8 PG 9 WC History & Philosophy Of Science SC History & Philosophy of Science GA BLJ71 UT WOS:000270319000009 ER PT S AU Stapp, HP AF Stapp, Henry P. BA Stapp, HP BF Stapp, HP TI Choice and Meaning in the Quantum Universe SO MIND, MATTER AND QUANTUM MECHANICS, THIRD EDITION SE Frontiers Collection LA English DT Article; Book Chapter C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Stapp, HP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM hpstapp@lbl.gov; hpstapp@lbl.gov NR 10 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1612-3018 BN 978-3-540-89654-8 J9 FRONT COLLECT PY 2009 SI 3 BP 159 EP 170 DI 10.1007/978-3-540-89654-8_7 D2 10.1007/978-3-540-89654-8 PG 12 WC History & Philosophy Of Science SC History & Philosophy of Science GA BLJ71 UT WOS:000270319000010 ER PT S AU Stapp, HP AF Stapp, Henry P. BA Stapp, HP BF Stapp, HP TI Future Achievements to Be Gained through Science SO MIND, MATTER AND QUANTUM MECHANICS, THIRD EDITION SE Frontiers Collection LA English DT Article; Book Chapter C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Stapp, HP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM hpstapp@lbl.gov; hpstapp@lbl.gov NR 6 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1612-3018 BN 978-3-540-89654-8 J9 FRONT COLLECT PY 2009 SI 3 BP 171 EP 179 DI 10.1007/978-3-540-89654-8_8 D2 10.1007/978-3-540-89654-8 PG 9 WC History & Philosophy Of Science SC History & Philosophy of Science GA BLJ71 UT WOS:000270319000011 ER PT S AU Stapp, HP AF Stapp, Henry P. BA Stapp, HP BF Stapp, HP TI A Quantum Conception of Man SO MIND, MATTER AND QUANTUM MECHANICS, THIRD EDITION SE Frontiers Collection LA English DT Article; Book Chapter C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Stapp, HP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM hpstapp@lbl.gov; hpstapp@lbl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1612-3018 BN 978-3-540-89654-8 J9 FRONT COLLECT PY 2009 SI 3 BP 181 EP 191 DI 10.1007/978-3-540-89654-8_9 D2 10.1007/978-3-540-89654-8 PG 11 WC History & Philosophy Of Science SC History & Philosophy of Science GA BLJ71 UT WOS:000270319000012 ER PT S AU Stapp, HP AF Stapp, Henry P. BA Stapp, HP BF Stapp, HP TI Quantum Theory and the Place of Mind in Nature SO MIND, MATTER AND QUANTUM MECHANICS, THIRD EDITION SE Frontiers Collection LA English DT Article; Book Chapter C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Stapp, HP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM hpstapp@lbl.gov; hpstapp@lbl.gov NR 11 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1612-3018 BN 978-3-540-89654-8 J9 FRONT COLLECT PY 2009 SI 3 BP 193 EP 200 DI 10.1007/978-3-540-89654-8_10 D2 10.1007/978-3-540-89654-8 PG 8 WC History & Philosophy Of Science SC History & Philosophy of Science GA BLJ71 UT WOS:000270319000013 ER PT S AU Stapp, HP AF Stapp, Henry P. BA Stapp, HP BF Stapp, HP TI Neuroscience, Atomic Physics, and the Human Person SO MIND, MATTER AND QUANTUM MECHANICS, THIRD EDITION SE Frontiers Collection LA English DT Article; Book Chapter ID QUANTUM-THEORY C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Stapp, HP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM hpstapp@lbl.gov; hpstapp@lbl.gov NR 19 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1612-3018 BN 978-3-540-89654-8 J9 FRONT COLLECT PY 2009 SI 3 BP 203 EP 236 DI 10.1007/978-3-540-89654-8_11 D2 10.1007/978-3-540-89654-8 PG 34 WC History & Philosophy Of Science SC History & Philosophy of Science GA BLJ71 UT WOS:000270319000014 ER PT S AU Stapp, HP AF Stapp, Henry P. BA Stapp, HP BF Stapp, HP TI Societal Ramifications of the New Scientific Conception of Human Beings SO MIND, MATTER AND QUANTUM MECHANICS, THIRD EDITION SE Frontiers Collection LA English DT Article; Book Chapter C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Stapp, HP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM hpstapp@lbl.gov; hpstapp@lbl.gov NR 3 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1612-3018 BN 978-3-540-89654-8 J9 FRONT COLLECT PY 2009 SI 3 BP 237 EP 244 DI 10.1007/978-3-540-89654-8_12 D2 10.1007/978-3-540-89654-8 PG 8 WC History & Philosophy Of Science SC History & Philosophy of Science GA BLJ71 UT WOS:000270319000015 ER PT S AU Stapp, HP AF Stapp, Henry P. BA Stapp, HP BF Stapp, HP TI Physicalism Versus Quantum Mechanics SO MIND, MATTER AND QUANTUM MECHANICS, THIRD EDITION SE Frontiers Collection LA English DT Article; Book Chapter C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Stapp, HP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM hpstapp@lbl.gov; hpstapp@lbl.gov NR 15 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1612-3018 BN 978-3-540-89654-8 J9 FRONT COLLECT PY 2009 SI 3 BP 245 EP 260 DI 10.1007/978-3-540-89654-8_13 D2 10.1007/978-3-540-89654-8 PG 16 WC History & Philosophy Of Science SC History & Philosophy of Science GA BLJ71 UT WOS:000270319000016 ER PT S AU Stapp, HP AF Stapp, Henry P. BA Stapp, HP BF Stapp, HP TI A Model of the Quantum-Classical and Mind-Brain Connections, and the Role of the Quantum Zeno Effect in the Physical Implementation of Conscious Intent SO MIND, MATTER AND QUANTUM MECHANICS, THIRD EDITION SE Frontiers Collection LA English DT Article; Book Chapter C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Stapp, HP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM hpstapp@lbl.gov; hpstapp@lbl.gov NR 17 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1612-3018 BN 978-3-540-89654-8 J9 FRONT COLLECT PY 2009 SI 3 BP 261 EP 273 DI 10.1007/978-3-540-89654-8_14 D2 10.1007/978-3-540-89654-8 PG 13 WC History & Philosophy Of Science SC History & Philosophy of Science GA BLJ71 UT WOS:000270319000017 ER PT S AU Stapp, HP AF Stapp, Henry P. BA Stapp, HP BF Stapp, HP TI A Mathematical Model SO MIND, MATTER AND QUANTUM MECHANICS, THIRD EDITION SE Frontiers Collection LA English DT Article; Book Chapter C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Stapp, HP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM hpstapp@lbl.gov; hpstapp@lbl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1612-3018 BN 978-3-540-89654-8 J9 FRONT COLLECT PY 2009 SI 3 BP 277 EP 279 DI 10.1007/978-3-540-89654-8_15 D2 10.1007/978-3-540-89654-8 PG 3 WC History & Philosophy Of Science SC History & Philosophy of Science GA BLJ71 UT WOS:000270319000018 ER PT J AU Awasthi, AP Lagoudas, DC Hammerand, DC AF Awasthi, Amnaya P. Lagoudas, Dimitris C. Hammerand, Daniel C. TI Modeling of graphene-polymer interfacial mechanical behavior using molecular dynamics SO MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING LA English DT Article ID CARBON-NANOTUBE COMPOSITES; SINGLE-WALLED NANOTUBE; STRESS-STRAIN BEHAVIOR; COHESIVE LAW; FUNCTIONALIZED NANOTUBES; MELT/SOLID INTERFACE; ATOMISTIC SIMULATION; LOAD-TRANSFER; THIN-FILM; NANOCOMPOSITES AB Carbon nanotube (CNT) polymer-matrix composites exhibit promising properties as structural materials for which appropriate constitutive models are sought, to predict their macroscale behavior. The reliability of determining the homogenized response of such materials depends upon the ability to accurately capture the interfacial behavior between the nanotubes and the polymer matrix. In this work, molecular dynamics simulations, using the Consistent Valence Force Field (CVFF) to describe the atomistic interactions, are used to study nanoscale load transfer between polyethylene and a graphene sheet, a model system chosen to characterize the force-separation behavior between CNTs and the polymer matrix. Separation studies are conducted for both opening as well as sliding modes and cohesive zone parameters such as peak traction and energy of separation are evaluated for each mode. Studies are also carried out to investigate the effect of tension and compression on sliding mode separation. Size dependence studies are conducted utilizing different sizes of the computational domain and different boundary conditions, to obtain the representative volume element and connect to continuum level properties. These results set the stage for continuum length-scale micromechanical models which may be used in determining the overall material response, incorporating interfacial phenomena. C1 [Awasthi, Amnaya P.; Lagoudas, Dimitris C.] Texas A&M Univ, Dept Aerosp Engn, College Stn, TX 77843 USA. [Hammerand, Daniel C.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Lagoudas, DC (reprint author), Texas A&M Univ, Dept Aerosp Engn, College Stn, TX 77843 USA. RI Awasthi, Amnaya/A-4961-2011; OI Awasthi, Amnaya/0000-0002-6080-1649; Lagoudas, Dimitris/0000-0002-0194-5933 NR 64 TC 47 Z9 47 U1 5 U2 98 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0965-0393 J9 MODEL SIMUL MATER SC JI Model. Simul. Mater. Sci. Eng. PD JAN PY 2009 VL 17 IS 1 AR 015002 DI 10.1088/0965-0393/17/1/015002 PG 37 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 384RC UT WOS:000261760900003 ER PT S AU Weber, AZ Balliet, R Gunterman, HP Newman, J AF Weber, Adam Z. Balliet, Ryan Gunterman, Haluna P. Newman, John BE Schlesinger, M TI Modeling Water Management in Polymer-Electrolyte Fuel Cells SO MODERN ASPECTS OF ELECTROCHEMISTRY, NO 43 SE Modern Aspects of Electrochemistry LA English DT Article; Book Chapter ID GAS-DIFFUSION LAYER; ELECTROCHEMICAL IMPEDANCE SPECTROSCOPY; INTERDIGITATED FLOW-FIELDS; PROTON-EXCHANGE MEMBRANES; OXYGEN REDUCTION REACTION; CATHODE CATALYST LAYERS; MICROELECTRODE NAFION INTERFACE; REDUCED RELATIVE-HUMIDITY; MASS-TRANSFER RESISTANCE; LATTICE-BOLTZMANN MODEL C1 [Weber, Adam Z.] Univ Calif Berkeley, Lawrence Berkeley Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Balliet, Ryan; Gunterman, Haluna P.; Newman, John] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. RP Weber, AZ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Environm Energy Technol Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. NR 355 TC 5 Z9 5 U1 1 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 0076-9924 BN 978-0-387-49580-4 J9 MOD ASP ELECTROCHEM PY 2009 IS 43 BP 273 EP 415 DI 10.1007/978-0-387-49582-8_7 PG 143 WC Electrochemistry SC Electrochemistry GA BKA64 UT WOS:000267605900008 ER PT S AU Nagy, Z You, HD AF Nagy, Zoltan You, Hoydoo BE White, RE Vayenas, CG GamboaAldeco, M TI Applications of Synchrotron X-Ray Scattering for the Investigation of the Electrochemical Interphase SO MODERN ASPECTS OF ELECTROCHEMISTRY, NO 45 SE Modern Aspects of Electrochemistry LA English DT Article; Book Chapter ID PT(111) ELECTRODE SURFACE; SINGLE-CRYSTAL SURFACES; PT-BIMETALLIC SURFACES; COPPER UNDERPOTENTIAL DEPOSITION; SULFURIC-ACID-SOLUTION; 2 POLAR LIQUIDS; IN-SITU STM; AU(111) ELECTRODE; BROMIDE ADSORPTION; PT(111)-SOLUTION INTERFACE C1 [Nagy, Zoltan; You, Hoydoo] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Nagy, Z (reprint author), Univ N Carolina, Dept Chem, Campus Box 3290, Chapel Hill, NC 27599 USA. NR 247 TC 1 Z9 1 U1 3 U2 6 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 0076-9924 BN 978-1-4419-0655-7 J9 MOD ASP ELECTROCHEM PY 2009 IS 45 BP 247 EP 335 DI 10.1007/978-1-4419-0655-7_5 D2 10.1007/978-1-4419-0655-7 PG 89 WC Electrochemistry SC Electrochemistry GA BNM46 UT WOS:000274957700005 ER PT J AU Geyer, FC de Biase, D Weigelt, B Lambros, MBK Mackay, A Fenwick, K Tamber, N Ashworth, A Reis, JS AF Geyer, F. C. de Biase, D. Weigelt, B. Lambros, M. B. K. Mackay, A. Fenwick, K. Tamber, N. Ashworth, A. Reis-Filho, J. S. TI Microarray CGH Analysis Reveals Genetic Heterogeneity between Distinct Components of Metaplastic Breast Carcinomas SO MODERN PATHOLOGY LA English DT Meeting Abstract CT 98th Annual Meeting of the United-States-and-Canadian-Academy-of-Pathology CY MAR 07-13, 2009 CL Boston, MA SP US & Canadian Acad Pathol C1 ICR, London, England. Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA USA. RI Messier, Claude/A-2322-2008 OI Messier, Claude/0000-0002-4791-1763 NR 0 TC 0 Z9 0 U1 0 U2 0 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 0893-3952 EI 1530-0285 J9 MODERN PATHOL JI Mod. Pathol. PD JAN PY 2009 VL 22 SU 1 MA 175 BP 41A EP 41A PG 1 WC Pathology SC Pathology GA 393KF UT WOS:000262371500176 ER PT J AU McCarthy, A Lord, CJ Savage, K Grigoriadis, A Smith, DP Weigelt, B Reis-Filho, JS Ashworth, A AF McCarthy, A. Lord, C. J. Savage, K. Grigoriadis, A. Smith, D. P. Weigelt, B. Reis-Filho, J. S. Ashworth, A. TI Conditional Deletion of the LKB1 Gene in the Mouse Mammary Gland Induces Tumour Formation SO MODERN PATHOLOGY LA English DT Meeting Abstract CT 98th Annual Meeting of the United-States-and-Canadian-Academy-of-Pathology CY MAR 07-13, 2009 CL Boston, MA SP US & Canadian Acad Pathol C1 ICR, London, England. Ludwig Inst Canc Res, London W1P 8BT, England. Ludwig Inst Canc Res, Melbourne, Vic 3050, Australia. Lawrence Berkeley Natl Lab, Berkeley, CA USA. RI Lord, Christopher/B-3295-2012 OI Lord, Christopher/0000-0002-3226-0515 NR 0 TC 0 Z9 0 U1 0 U2 1 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 0893-3952 J9 MODERN PATHOL JI Mod. Pathol. PD JAN PY 2009 VL 22 MA 244 BP 56A EP 57A PG 2 WC Pathology SC Pathology GA 393KF UT WOS:000262371500245 ER PT J AU Weigelt, B Kreike, B Reis, JS AF Weigelt, B. Kreike, B. Reis-Filho, J. S. TI Metaplastic Breast Carcinomas Are Basal-Like Breast Cancers: A Genomic Profiling Analysis SO MODERN PATHOLOGY LA English DT Meeting Abstract CT 98th Annual Meeting of the United-States-and-Canadian-Academy-of-Pathology CY MAR 07-13, 2009 CL Boston, MA SP US & Canadian Acad Pathol C1 Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA USA. Netherlands Canc Inst, Amsterdam, Netherlands. ICR, London, England. NR 0 TC 0 Z9 0 U1 0 U2 0 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 0893-3952 J9 MODERN PATHOL JI Mod. Pathol. PD JAN PY 2009 VL 22 MA 322 BP 74A EP 74A PG 1 WC Pathology SC Pathology GA 393KF UT WOS:000262371500323 ER PT J AU Christian, JE AF Christian, Jeffrey E. BE Trechsel, HR Bomberg, MT TI Moisture Sources SO MOISTURE CONTROL IN BUILDINGS: THE KEY FACTOR IN MOLD PREVENTION, 2ND EDITION SE ASTM International Manual Series LA English DT Article; Book Chapter C1 Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Christian, JE (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN USA. NR 28 TC 1 Z9 1 U1 0 U2 0 PU ASTM INTERNATIONAL PI WEST CONSHOHOCKEN PA 100 BARR HARBOR DRIVE, PO BOX C700, WEST CONSHOHOCKEN, PA 19428-2959 USA BN 978-0-8031-7004-9 J9 ASTM INT MAN SER PY 2009 IS MNL18 BP 104 EP 110 D2 10.1520/MNL18_2ND-EB PG 7 WC Construction & Building Technology SC Construction & Building Technology GA BWN61 UT WOS:000294327700008 ER PT J AU Navid, A Almaas, E AF Navid, Ali Almaas, Eivind TI Genome-scale reconstruction of the metabolic network in Yersinia pestis, strain 91001 SO MOLECULAR BIOSYSTEMS LA English DT Article ID ESCHERICHIA-COLI K-12; PASTEURELLA-PESTIS; NUTRITIONAL REQUIREMENTS; SACCHAROMYCES-CEREVISIAE; TRANSFERABLE PLASMID; RHAMNOSE UTILIZATION; ACID-COMPOSITION; CRYPTIC GENES; LIPOPOLYSACCHARIDE; TEMPERATURE AB The gram-negative bacterium Yersinia pestis, the aetiological agent of bubonic plague, is one of the deadliest pathogens known to man. Despite its historical reputation, plague is a modern disease which annually afflicts thousands of people. Public safety considerations greatly limit clinical experimentation on this organism and thus development of theoretical tools to analyze the capabilities of this pathogen is of utmost importance. Here, we report the first genome-scale metabolic model of Yersinia pestis biovar Mediaevalis based both on its recently annotated genome, and physiological and biochemical data from the literature. Our model demonstrates excellent agreement with Y. pestis' known metabolic needs and capabilities. Since Y. pestis is a meiotrophic organism, we have developed CryptFind, a systematic approach to identify all candidate cryptic genes responsible for known and theoretical meiotrophic phenomena. In addition to uncovering every known cryptic gene for Y. pestis, our analysis of the rhamnose fermentation pathway suggests that betB is the responsible cryptic gene. Despite all of our medical advances, we still do not have a vaccine for bubonic plague. Recent discoveries of antibiotic resistant strains of Yersinia pestis coupled with the threat of plague being used as a bioterrorism weapon compel us to develop new tools for studying the physiology of this deadly pathogen. Using our theoretical model, we can study the cell's phenotypic behavior under different circumstances and identify metabolic weaknesses that may be harnessed for the development of therapeutics. Additionally, the automatic identification of cryptic genes expands the usage of genomic data for pharmaceutical purposes. C1 [Navid, Ali; Almaas, Eivind] Lawrence Livermore Natl Lab, Biosci & Biotechnol Div, Livermore, CA 94550 USA. RP Almaas, E (reprint author), Lawrence Livermore Natl Lab, Biosci & Biotechnol Div, Livermore, CA 94550 USA. EM almaas@llnl.gov OI Almaas, Eivind/0000-0002-9125-326X FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; LLNL [06-ERD-061] FX We thank Dr E. Branscomb, P. Chain, Dr C-M. Ghim and Dr E. Garcia for discussions. Work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. The project (06-ERD-061) was funded by the Laboratory Directed Research and Development program at LLNL. NR 60 TC 24 Z9 25 U1 1 U2 7 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1742-206X J9 MOL BIOSYST JI Mol. Biosyst. PY 2009 VL 5 IS 4 BP 368 EP 375 DI 10.1039/b818710j PG 8 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 420WH UT WOS:000264319400008 PM 19396373 ER PT J AU Minor, DL AF Minor, Daniel L., Jr. TI Searching for interesting channels: pairing selection and molecular evolution methods to study ion channel structure and function SO MOLECULAR BIOSYSTEMS LA English DT Review ID NICOTINIC ACETYLCHOLINE-RECEPTOR; OF-FUNCTION MUTATIONS; COLI MECHANOSENSITIVE CHANNEL; RECTIFYING POTASSIUM CHANNEL; TRANSMEMBRANE ALPHA-HELICES; MESSENGER-RNA DISPLAY; IN-VITRO SELECTION; KCSA K+ CHANNEL; ESCHERICHIA-COLI; CRYSTAL-STRUCTURE AB The pairing of selection and screening methods with randomly mutated libraries can be an exceptionally powerful means for probing the functions of biological molecules and for developing novel regents from random libraries of peptides and oligonucleotides. The use of such approaches is beginning to permeate the ion channel field where they are being deployed to uncover fundamental aspects about ion channel structure and gating, small molecule-channel interactions, and the development of novel agents to control channel activity. C1 [Minor, Daniel L., Jr.] Univ Calif San Francisco, Calif Inst Quantitat Biosci, Cardiovasc Res Inst, Dept Biochem & Biophys, San Francisco, CA 94158 USA. [Minor, Daniel L., Jr.] Univ Calif San Francisco, Calif Inst Quantitat Biosci, Cardiovasc Res Inst, Dept Cellular & Mol Pharmacol, San Francisco, CA 94158 USA. [Minor, Daniel L., Jr.] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Minor, DL (reprint author), Univ Calif San Francisco, Calif Inst Quantitat Biosci, Cardiovasc Res Inst, Dept Biochem & Biophys, San Francisco, CA 94158 USA. EM daniel.minor@ucsf.edu FU NIH-NINDS; American Heart Association FX I thank S. Bagriantsev, K. Brejc, B. Myers, A. Moroni, E. Reuveny, and G. Thiel for comments on the manuscript. This work was supported by grants to DLM from NIH-NINDS and American Heart Association. DLM is an AHA Established Investigator. NR 78 TC 8 Z9 9 U1 1 U2 4 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1742-206X J9 MOL BIOSYST JI Mol. Biosyst. PY 2009 VL 5 IS 8 BP 802 EP 810 DI 10.1039/b901708a PG 9 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 471DA UT WOS:000268033800004 PM 19603113 ER PT J AU Babu, M Musso, G Diaz-Mejia, JJ Butland, G Greenblatt, JF Emili, A AF Babu, Mohan Musso, Gabriel Diaz-Mejia, J. Javier Butland, Gareth Greenblatt, Jack F. Emili, Andrew TI Systems-level approaches for identifying and analyzing genetic interaction networks in Escherichia coli and extensions to other prokaryotes SO MOLECULAR BIOSYSTEMS LA English DT Review ID MOLECULAR INTERACTION DATABASE; FLUX BALANCE ANALYSIS; SACCHAROMYCES-CEREVISIAE; METABOLIC NETWORKS; SYNTHETIC-LETHALITY; PROTEIN COMPLEXES; DELETION MUTANTS; FUSION EVENTS; E. COLI; FUNCTIONAL INTERACTIONS AB Molecular interactions define the functional organization of the cell. Epistatic (genetic, or gene-gene) interactions, one of the most informative and commonly encountered forms of functional relationships, are increasingly being used to map process architecture in model eukaryotic organisms. In particular, 'systems-level' screens in yeast and worm aimed at elucidating genetic interaction networks have led to the generation of models describing the global modular organization of gene products and protein complexes within a cell. However, comparable data for prokaryotic organisms have not been available. Given its ease of growth and genetic manipulation, the Gram-negative bacterium Escherichia coli appears to be an ideal model system for performing comprehensive genome-scale examinations of genetic redundancy in bacteria. In this review, we highlight emerging experimental and computational techniques that have been developed recently to examine functional relationships and redundancy in E. coli at a systems-level, and their potential application to prokaryotes in general. Additionally, we have scanned PubMed abstracts and full-text published articles to manually curate a list of similar to 200 previously reported synthetic sick or lethal genetic interactions in E. coli derived from small-scale experimental studies. C1 [Babu, Mohan; Musso, Gabriel; Diaz-Mejia, J. Javier; Greenblatt, Jack F.; Emili, Andrew] Univ Toronto, Banting & Best Dept Med Res, Terrence Donnelly Ctr Cellular & Biomol Res, Toronto, ON M5S 3E1, Canada. [Diaz-Mejia, J. Javier] Wilfrid Laurier Univ, Dept Biol, Waterloo, ON N2L 3C5, Canada. [Butland, Gareth] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Emili, A (reprint author), Univ Toronto, Banting & Best Dept Med Res, Terrence Donnelly Ctr Cellular & Biomol Res, Toronto, ON M5S 3E1, Canada. EM andrew.emili@utoronto.ca FU Canadian Institutes of Health Research [82852]; Mexican Science and Technology Research Council (CONACYT) FX This work was supported in part by funds from the Canadian Institutes of Health Research (MOP#82852) to A. E. and by a partial postdoctoral fellowship from the Mexican Science and Technology Research Council (CONACYT) to J.J.D.-M. NR 145 TC 17 Z9 17 U1 0 U2 11 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1742-206X J9 MOL BIOSYST JI Mol. Biosyst. PY 2009 VL 5 IS 12 BP 1439 EP 1455 DI 10.1039/b907407d PG 17 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 518WX UT WOS:000271727600007 PM 19763343 ER PT J AU Nakhimovsky, L Fuchs, R AF Nakhimovsky, L. Fuchs, R. TI Hypochromism in Two Low-Energy Transitions of B-2 (B-2u) Symmetry in the Electronic Spectrum of the Carbazole Crystal (vol 473, pg 87, 2007) SO MOLECULAR CRYSTALS AND LIQUID CRYSTALS LA English DT Correction C1 [Nakhimovsky, L.] Iowa State Univ, Dept Phys, US DOE, Ames, IA 50011 USA. Iowa State Univ, Ames Lab, US DOE, Ames, IA USA. RP Nakhimovsky, L (reprint author), Iowa State Univ, Dept Phys, US DOE, Ames, IA 50011 USA. NR 1 TC 0 Z9 0 U1 0 U2 1 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1542-1406 J9 MOL CRYST LIQ CRYST JI Mol. Cryst. Liquid Cryst. PY 2009 VL 515 BP 255 EP 255 AR PII 917930823 DI 10.1080/15421400903479880 PG 1 WC Crystallography SC Crystallography GA 562BV UT WOS:000275025000022 ER PT J AU Crawford, NG Peters, MB Hagen, C Glenn, TC Davis, SK Somers, CM AF Crawford, Nicholas G. Peters, Maureen B. Hagen, Cris Glenn, Travis C. Davis, Stephen K. Somers, Christopher M. TI Polymorphic microsatellite loci from Sprague's pipit (Anthus spragueii), a grassland endemic passerine bird SO MOLECULAR ECOLOGY RESOURCES LA English DT Article DE Anthus spragueii; microsatellite; PCR primers; Sprague's pipit; SSR; STR ID SOUTHERN SASKATCHEWAN; PROGRAM; HABITAT; SIZE AB We developed 11 novel microsatellite loci for Sprague's pipit (Anthus spragueii), a songbird endemic to the Northern Great Plains of central North America. These loci were screened in 21 individuals from southern Saskatchewan, Canada. All 11 loci were polymorphic, with the number of alleles per locus ranging from five to 23, polymorphic information content from 0.312 to 0.947, and observed heterozygosity from 0.476 to 0.900. These loci will be suitable for a wide variety of studies on pipit natural history, ecology, and conservation. C1 [Crawford, Nicholas G.; Peters, Maureen B.; Hagen, Cris; Glenn, Travis C.] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. [Glenn, Travis C.] Univ Georgia, Dept Environm Hlth Sci, Athens, GA 30602 USA. [Davis, Stephen K.] Canadian Wildlife Serv, Regina, SK S4P 4K1, Canada. [Davis, Stephen K.; Somers, Christopher M.] Univ Regina, Dept Biol, Regina, SK S4S 0A2, Canada. RP Somers, CM (reprint author), Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. EM chris.somers@uregina.ca RI Glenn, Travis/A-2390-2008 FU Department of Energy [DE-FC09-07SR22506]; Canadian Wildlife Service Strategic Applications of Genomics in Ecology FX Disclaimer. 'This report was prepared as an account of work sponsored by an agency of the US Government. Neither the US Government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favouring by the US Government or any agency thereof. The views and opinions of authors expressed herein do not necessarily state or reflect those of the US Government or any agency thereof.' NR 12 TC 2 Z9 2 U1 0 U2 4 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1755-098X J9 MOL ECOL RESOUR JI Mol. Ecol. Resour. PD JAN PY 2009 VL 9 IS 1 BP 315 EP 317 DI 10.1111/j.1755-0998.2008.02240.x PG 3 WC Biochemistry & Molecular Biology; Ecology; Evolutionary Biology SC Biochemistry & Molecular Biology; Environmental Sciences & Ecology; Evolutionary Biology GA 397RD UT WOS:000262678900078 PM 21564637 ER PT J AU Richter, S Anderson, VJ Garufi, G Lu, LH Budzik, JM Joachimiak, A He, C Schneewind, O Missiakas, D AF Richter, Stefan Anderson, Valerie J. Garufi, Gabriella Lu, Lianghua Budzik, Jonathan M. Joachimiak, Andrzej He, Chuan Schneewind, Olaf Missiakas, Dominique TI Capsule anchoring in Bacillus anthracis occurs by a transpeptidation reaction that is inhibited by capsidin SO MOLECULAR MICROBIOLOGY LA English DT Article ID POLY-GAMMA-GLUTAMATE; GRAM-POSITIVE BACTERIA; CELL-WALL; SURFACE-PROTEINS; ESCHERICHIA-COLI; STAPHYLOCOCCUS-AUREUS; D-ALANINE; POLY(GAMMA-D-GLUTAMYL) CAPSULE; INHALATION ANTHRAX; LPXTG MOTIF AB Bacillus anthracis, the causative agent of anthrax, is a dangerous biological weapon, as spores derived from drug-resistant strains cause infections for which antibiotic therapy is no longer effective. We sought to develop an anti-infective therapy for anthrax and targeted CapD, an enzyme that cleaves poly-gamma-d-glutamate capsule and generates amide bonds with peptidoglycan cross-bridges to deposit capsular material into the envelope of B. anthracis. In agreement with the model that capsule confers protection from phagocytic clearance, B. anthracis capD variants failed to deposit capsule into the envelope and displayed defects in anthrax pathogenesis. By screening chemical libraries, we identified the CapD inhibitor capsidin, 4-[(4-bromophenyl)thio]-3-(diacetylamino)benzoic acid), which covalently modifies the active-site threonine of the transpeptidase. Capsidin treatment blocked capsular assembly by B. anthracis and enabled phagocytic killing of non-encapsulated vegetative forms. C1 [Richter, Stefan; Anderson, Valerie J.; Garufi, Gabriella; Budzik, Jonathan M.; Schneewind, Olaf; Missiakas, Dominique] Univ Chicago, Dept Microbiol, Chicago, IL 60637 USA. [Lu, Lianghua; He, Chuan] Univ Chicago, Dept Chem, Chicago, IL 60637 USA. [Joachimiak, Andrzej] Argonne Natl Lab, Biosci Div, Midwest Ctr Struct Genom & Struct Biol Ctr, Argonne, IL 60439 USA. RP Missiakas, D (reprint author), Univ Chicago, Dept Microbiol, 920 E 58th St, Chicago, IL 60637 USA. EM dmissiak@bsd.uchicago.edu FU Region V 'Great Lakes'Regional Center of Excellence in Biodefense and Emerging Infectious Diseases Consortium (GLRCE); National Institute of Allergy and Infectious Diseases [1-U54-AI-057153] FX We acknowledge Ruiying Wu for help with CapD purification, Sue Chiang and members of the NSRB for technical assistance during HTS, Derek Elli, Christina Procacci and Kristy Skurauskis for technical assistance with BSL-3 procedures, and Justin Kern, Anthony Maresso, Luciano Marraffini and Vilasak Thammavongsa for discussion. The authors acknowledge membership within and support from the Region V 'Great Lakes' Regional Center of Excellence in Biodefense and Emerging Infectious Diseases Consortium (GLRCE, National Institute of Allergy and Infectious Diseases Award 1-U54-AI-057153). NR 72 TC 30 Z9 32 U1 0 U2 3 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0950-382X J9 MOL MICROBIOL JI Mol. Microbiol. PD JAN PY 2009 VL 71 IS 2 BP 404 EP 420 DI 10.1111/j.1365-2958.2008.06533.x PG 17 WC Biochemistry & Molecular Biology; Microbiology SC Biochemistry & Molecular Biology; Microbiology GA 392LO UT WOS:000262304400010 PM 19017271 ER PT J AU Masta, SE Longhorn, SJ Boore, JL AF Masta, Susan E. Longhorn, Stuart J. Boore, Jeffrey L. TI Arachnid relationships based on mitochondrial genomes: Asymmetric nucleotide and amino acid bias affects phylogenetic analyses SO MOLECULAR PHYLOGENETICS AND EVOLUTION LA English DT Article DE Arachnida; Chelicerata; Strand bias; Mutational bias; Phylogeny reconstruction ID BAYESIAN POSTERIOR PROBABILITIES; MAXIMUM-LIKELIHOOD; PROTEIN EVOLUTION; RIBOSOMAL-RNA; SEQUENCES; DNA; MODEL; SUBSTITUTION; GENES; CHELICERATA AB Phylogenetic analyses based on mitochondrial DNA have yielded widely differing relationships among members of the arthropod lineage Arachnida, depending on the nucleotide coding schemes and models of evolution used. We enhanced taxonomic coverage within the Arachnida greatly by sequencing seven new arachnid mitochondrial genomes from five orders. We then used all 13 mitochondrial protein-coding genes from these genomes to evaluate patterns of nucleotide and amino acid biases. Our data show that two of the six orders of arachnids (spiders and scorpions) have experienced shifts in both nucleotide and amino acid usage in all their protein-coding genes, and that these biases mislead phylogeny reconstruction. These biases are most striking for the hydrophobic amino acids isoleucine and valine, which appear to have evolved asymmetrical exchanges in response to shifts in nucleotide composition. To improve phylogenetic accuracy based on amino acid differences, we tested two recoding methods: (1) removing all isoleucine and valine sites and (2) recoding amino acids based on their physiochemical properties. We find that these methods yield phylogenetic trees that are consistent in their support of ancient intraordinal divergences within the major arachnid lineages. Further refinement of amino acid recoding methods may help us better delineate interordinal relationships among these diverse organisms. (C) 2008 Elsevier Inc. All rights reserved. C1 [Masta, Susan E.; Longhorn, Stuart J.] Portland State Univ, Dept Biol, Portland, OR 97207 USA. [Boore, Jeffrey L.] Joint Genome Inst, Dept Energy, Dept Evolutionary Genom, Walnut Creek, CA 94598 USA. [Boore, Jeffrey L.] Univ Calif Berkeley, Dept Integrat Biol, Berkeley, CA 94720 USA. [Boore, Jeffrey L.] Genome Project Solut, Hercules, CA 94547 USA. RP Masta, SE (reprint author), Portland State Univ, Dept Biol, POB 751, Portland, OR 97207 USA. EM smasta@pdx.edu NR 78 TC 42 Z9 43 U1 4 U2 20 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1055-7903 EI 1095-9513 J9 MOL PHYLOGENET EVOL JI Mol. Phylogenet. Evol. PD JAN PY 2009 VL 50 IS 1 BP 117 EP 128 DI 10.1016/j.ympev.2008.10.010 PG 12 WC Biochemistry & Molecular Biology; Evolutionary Biology; Genetics & Heredity SC Biochemistry & Molecular Biology; Evolutionary Biology; Genetics & Heredity GA 396OL UT WOS:000262600900010 PM 18992830 ER PT J AU Isobe, M Alder, BJ AF Isobe, M. Alder, B. J. TI Molasses tail in two dimensions SO MOLECULAR PHYSICS LA English DT Article DE event-driven molecular dynamics; molasses tail; shear stress autocorrelation function; glass transition ID MOLECULAR-DYNAMICS; TRANSPORT COEFFICIENTS; FLUIDS; SIMULATION; LIGHT AB Some twenty years ago, the slow decay of the stress autocorrelation function in dense liquids near the solid-fluid transition point was speculated to be due to transient crystal nuclei formation. With additional computer power, we are now able to establish for hard discs the length of time for which the biggest such nuclei exists at a given density. C1 [Isobe, M.] Nagoya Inst Technol, Grad Sch Engeneering, Nagoya, Aichi 4668555, Japan. [Alder, B. J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Isobe, M.] Nagoya Inst Technol, Grad Sch Engn, Nagoya, Aichi 4668555, Japan. [Alder, B. J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Isobe, M (reprint author), Nagoya Inst Technol, Grad Sch Engn, Nagoya, Aichi 4668555, Japan. EM isobe@nitech.ac.jp; alder1@llnl.gov RI Isobe, Masaharu/B-1707-2010 OI Isobe, Masaharu/0000-0003-4370-5564 NR 11 TC 7 Z9 7 U1 0 U2 6 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0026-8976 J9 MOL PHYS JI Mol. Phys. PY 2009 VL 107 IS 4-6 BP 609 EP 613 AR PII 911461563 DI 10.1080/00268970902889667 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 448EA UT WOS:000266244700032 ER PT J AU Balasubramanian, K AF Balasubramanian, Krishnan TI Group theoretical treatment of Jahn-Teller versus spin-orbit effects on geometries, rovibronic levels and nuclear spin species of bismuth and antimony clusters SO MOLECULAR PHYSICS LA English DT Article DE bismuth clusters; spin-orbit effects of bi-cluster; nuclear spin statistics; bin cluster; Jahn-Teller effect ID DENSITY-FUNCTIONAL THEORY; ELECTRONIC-STRUCTURE; POSITIVE-IONS; SPECTROSCOPY; STATISTICS; SYMMETRY; NMR; REPRESENTATIONS; DISTORTIONS; MOLECULES AB Clusters of very heavy group 15 elements, particularly those of Sb and Bi are intriguing due to the interplay of vibronic and relativistic effects, which quench the Jahn-Teller distortion, and thus resulting in the retention of higher symmetry in the double group. Group theoretical treatment of Bi(n) clusters and comparisons with Sb(n) clusters as a function of cluster size and coordination polyhedra has been carried out. The spin-orbit and Jahn-Teller effects have dual roles, thus resulting in interesting rovibronic and nuclear spin species arising from spin-9/2 (209)Bi. The rovibronic and nuclear spin species of (121)Sb and (123)Sb are also quite interesting due to their equal relative abundance and high nuclear spin. It has been shown by using group theoretical and combinatorial methods that these clusters exhibit interesting nuclear spin multiplets and distributions of rovibronic levels as a function of polyhedral geometry, which is influenced by the quenching of Jahn-Teller pseudorotation by spin-orbit effects in heavier Bi(n) clusters. The results are contrasted with Sb(n) clusters which undergo Jahn-Teller pseudorotations. It is also pointed out how the techniques considered here can be applied to Tl(n) and In(n) clusters. C1 [Balasubramanian, Krishnan] Calif State Univ Hayward, Dept Math & Comp Sci, Hayward, CA 94542 USA. [Balasubramanian, Krishnan] Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. [Balasubramanian, Krishnan] Univ Calif Berkeley, Lawrence Berkeley Lab, Glenn T Seaborg Ctr, Berkeley, CA 94720 USA. RP Balasubramanian, K (reprint author), Calif State Univ Hayward, Dept Math & Comp Sci, Hayward, CA 94542 USA. EM balu@llnl.com FU office of basic energy sciences, chemical science division of US Department of Energy [W-7405-Eng-48] FX This research at California State University was supported by the office of basic energy sciences, chemical science division of US Department of Energy. The work at Lawrence Livermore National Laboratory was performed under the auspices of US Department of Energy under Contract No. W-7405-Eng-48. NR 38 TC 4 Z9 4 U1 2 U2 10 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0026-8976 J9 MOL PHYS JI Mol. Phys. PY 2009 VL 107 IS 8-12 BP 797 EP 807 DI 10.1080/00268970802649591 PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 457YD UT WOS:000266972800010 ER PT J AU Slipchenko, LV Gordon, MS AF Slipchenko, Lyudmila V. Gordon, Mark S. TI Damping functions in the effective fragment potential method SO MOLECULAR PHYSICS LA English DT Article DE intermolecular interactions; force field; effective fragment potential method; screening; damping functions; Coulomb interactions; polarization; dispersion ID MOLECULAR-ORBITAL METHODS; QUANTUM-MECHANICAL CALCULATIONS; ATOM-ATOM POTENTIALS; GAUSSIAN-BASIS SETS; PI-PI-INTERACTIONS; WAVE-FUNCTIONS; BENZENE DIMER; PERTURBATION-THEORY; BENCHMARK CALCULATIONS; CHARGE PENETRATION AB This work presents the implementation and analysis of several damping functions for Coulomb, induction, and dispersion interactions within the framework of the general effective fragment potential (EFP) method. Damping is necessary to obtain the correct asymptotic short-range behavior of these interactions. Correctly chosen damping functions allow a balanced description of different parts of intermolecular potential energy surfaces and improve the accuracy of predicted intermolecular distances and binding energies. The performance of different damping functions is tested by comparing the EFP energy terms with the symmetry adapted perturbation theory (SAPT) energy terms in a range of intermolecular separations for ten molecular dimers. The total EFP binding energies in these dimers were compared with the binding energies obtained from SAPT and coupled cluster theory with single, double, and perturbative triple excitations [CCSD(T)]. A formula for electrostatic damping that was derived from first principles is recommended. This method employs the overlap of fragment localized molecular orbitals (LMO) within the spherical Gaussian approximation. The LMO overlap integrals are also used to determine the damping of dispersion. Gaussian polarization damping functions are recommended for use within the EFP framework. With this set of damping functions, the EFP binding energies are within 0.5 kcal/mol and intermolecular equilibrium separations are within 0.2 angstrom of the corresponding CCSD(T) and SAPT values. This consistent accuracy of EFP is encouraging for future studies of more complicated molecular complexes. C1 [Gordon, Mark S.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Gordon, MS (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM mark@si.msg.chem.iastate.edu RI Slipchenko, Lyudmila/G-5182-2012 FU Department of Energy FX This work was supported by a SciDAC grant from the Department of Energy, administered by the Ames Laboratory. NR 57 TC 51 Z9 51 U1 0 U2 9 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0026-8976 EI 1362-3028 J9 MOL PHYS JI Mol. Phys. PY 2009 VL 107 IS 8-12 SI SI BP 999 EP 1016 DI 10.1080/00268970802712449 PG 18 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 457YD UT WOS:000266972800029 ER PT J AU Kurlancheek, W Head-Gordon, M AF Kurlancheek, Westin Head-Gordon, Martin TI Violations of N-representability from spin-unrestricted orbitals in Moller-Plesset perturbation theory and related double-hybrid density functional theory SO MOLECULAR PHYSICS LA English DT Article DE N-representability; MP2; perturbation theory; ab initio calculations; unrestricted orbitals ID CONTRACTED SCHRODINGER-EQUATION; CORRELATED WAVE-FUNCTIONS; ELECTRON CORRELATION; ANALYTICAL GRADIENT; UNPAIRED ELECTRONS; ENERGY DERIVATIVES; LINEAR POLYENES; QUANTUM THEORY; MATRIX; CHARACTER AB By examining the natural orbital occupation numbers, it was discovered that unrestricted Moller-Plesset perturbation theory (MP2) can violate N-representability by having natural occupation numbers greater than 2 or less than 0, even though the energy appears well behaved. Analytically, this problem stems from the fact that the MP2 effective one-particle density matrix is dependent on the inverse of the orbital hessian matrix (A'). When a molecular system goes through the point where spin-restricted orbitals become unstable to unrestriction, one of the eigenvalues of the A' matrix will become 0, making it a singular matrix, thereby causing problems in the relaxed one-particle density matrix and discontinuities in the first order properties such as nuclear forces and dipole moments. Since the new 'double-hybrid' density functionals also involve a second-order perturbation expression for correlation using Kohn-Sham orbitals, these functionals also exhibit similar issues near the unrestriction point. The unphysical orbital occupations can be eliminated and the first derivative discontinuities removed by optimizing orbitals with inclusion of the second order correlation energy. Connections to the second derivative discontinuities in Hartree-Fock and Kohn-Sham density functional theory are also discussed. C1 [Kurlancheek, Westin; Head-Gordon, Martin] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Kurlancheek, Westin; Head-Gordon, Martin] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Head-Gordon, M (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM mhg@cchem.berkeley.edu FU Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the US Department of Energy [DE-AC0376SF00098] FX This work was supported by the Director, Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the US Department of Energy under Contract DE-AC0376SF00098. NR 47 TC 39 Z9 39 U1 0 U2 1 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0026-8976 J9 MOL PHYS JI Mol. Phys. PY 2009 VL 107 IS 8-12 SI SI BP 1223 EP 1232 DI 10.1080/00268970902835637 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 457YD UT WOS:000266972800049 ER PT J AU Lau, EY Phillips, JL Colvin, ME AF Lau, Edmond Y. Phillips, Joshua L. Colvin, Michael E. TI Molecular dynamics simulations of highly charged green fluorescent proteins SO MOLECULAR PHYSICS LA English DT Article DE green fluorescent protein; molecular dynamics; highly charged proteins; protein hydration ID FORCE-FIELD; SOLVATION; HYDRATION; MOTION; S65T; DNA AB A recent experimental study showed that green fluorescent proteins (GFPs) that have been mutated to have ultra-high positive or negative net charges, retain their native structure and fluorescent properties while gaining resistance to aggregation under denaturing conditions. These proteins also provide an ideal test case for studying the effects of surface charge on protein structure and dynamics. Classical molecular dynamics (MD) simulations have been performed on the near-neutral wildtype GFP and mutants with net charges of -29 and -35. The resulting trajectories were analysed to quantify differences in structure and dynamics between the three GFPs. This analysis shows that all three proteins are stable over the MD trajectory, with the near-neutral wild type GFP exhibiting somewhat more flexibility than the positive or negative GFP mutants, as measured by the order parameter and changes in phi-psi angles. There are more dramatic differences in the properties of the water and counter ions surrounding the proteins. The water diffusion constant near the protein surface is closer to the value for bulk water in the positively charged GFP than in the other two proteins. Additionally, the positively charged GFP shows a much greater clustering of the counter ions (Cl(-)) near its surface than corresponding counter ions (Na(+)) near the negatively charged mutant. C1 [Phillips, Joshua L.; Colvin, Michael E.] Univ Calif, Ctr Computat Biol, Merced, CA 95344 USA. [Phillips, Joshua L.; Colvin, Michael E.] Univ Calif, Sch Nat Sci, Merced, CA 95344 USA. [Lau, Edmond Y.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA 94550 USA. RP Colvin, ME (reprint author), Univ Calif, Ctr Computat Biol, Merced, CA 95344 USA. EM mcolvin@ucmerced.edu FU US Department of Energy, Office of Science, Offices of Advanced Scientific Computing Research; Biological & Environmental Research through the U. C. Merced Center for Computational Biology [DE-FG02-04ER25625]; United States Department of Energy by Lawrence Livermore National Laboratory [DE-AC5207NA27344] FX This work was also supported by the US Department of Energy, Office of Science, Offices of Advanced Scientific Computing Research, and Biological & Environmental Research through the U. C. Merced Center for Computational Biology # DE-FG02-04ER25625. This work was in part performed under the auspices of the United States Department of Energy by Lawrence Livermore National Laboratory under contract number DE-AC5207NA27344. NR 21 TC 1 Z9 1 U1 1 U2 7 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0026-8976 J9 MOL PHYS JI Mol. Phys. PY 2009 VL 107 IS 8-12 BP 1233 EP 1241 DI 10.1080/00268970902845305 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 457YD UT WOS:000266972800050 ER PT J AU Kurzweil, Y Lawler, KV Head-Gordon, M AF Kurzweil, Yair Lawler, Keith V. Head-Gordon, Martin TI Analysis of multi-configuration density functional theory methods: theory and model application to bond-breaking SO MOLECULAR PHYSICS LA English DT Article DE ab initio; electronic structure; quantum chemistry; computational chemistry ID MULTICONFIGURATIONAL WAVE-FUNCTIONS; SELF-INTERACTION CORRECTION; CORRELATION-ENERGY; COUPLED-CLUSTER; DEGENERATE SYSTEMS; ELECTRON-DENSITY; CAS-DFT; MOLECULES; ORBITALS; EXCHANGE AB We consider the extension of the standard single-determinant Kohn-Sham method to the case of a multi-configuration auxiliary wave function. By applying the rigorous Kohn-Sham method to this case, we construct the proper interacting and auxiliary energy functionals. Following the Hohenberg-Kohn theorem for both energy functionals, we derive the corresponding multi-configuration Kohn-Sham equations, based on a local effective potential. At the end of the analysis we show that, at the ground state, the auxiliary wavefunction must collapse into a single-determinant wave function, equal to the regular KS wavefunction. We also discuss the stability of the wavefunction in multi-configuration density functional theory methods where the auxiliary system is partially interacting, and the remaining (residual) correlation is evaluated as a functional of the density. As an example showing both the challenges and the possibilities, we implement such a procedure for the perfect pairing wavefunction, using a residual correlation functional that is based on the Lee-Yang-Parr functional, and present results for an elementary bond-breaking process. C1 [Head-Gordon, Martin] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Head-Gordon, M (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM mhg@cchem.berkeley.edu FU Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the U. S. Department of Energy [DE-AC0376SF00098] FX This work was supported by the Director, Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the U. S. Department of Energy under contract DE-AC0376SF00098. NR 44 TC 17 Z9 17 U1 0 U2 17 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0026-8976 J9 MOL PHYS JI Mol. Phys. PY 2009 VL 107 IS 20 BP 2103 EP 2110 AR PII 914032846 DI 10.1080/00268970903160597 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 499UO UT WOS:000270251900001 ER PT J AU Liu, JC Rankin, RB Johnson, JK AF Liu, Jinchen Rankin, Rees B. Johnson, J. Karl TI The importance of charge-quadrupole interactions for H2 adsorption and diffusion in CuBTC SO MOLECULAR SIMULATION LA English DT Article DE charge-quadrupole interactions; CuBTC; H2 adsorption; H2 diffusion; MOF ID METAL-ORGANIC FRAMEWORKS; MOLECULAR-DYNAMICS SIMULATIONS; MONTE-CARLO SIMULATIONS; PATH-INTEGRAL SIMULATIONS; WALLED CARBON NANOTUBES; LENNARD-JONES SYSTEMS; AUGMENTED-WAVE METHOD; HYDROGEN STORAGE; ULTRASOFT PSEUDOPOTENTIALS; PHASE-EQUILIBRIUM AB We have assessed the effects of charge-quadrupole interactions (CQIs) between the framework atoms of copper(II) benzene-1,3,5-tricarboxylate (CuBTC) and adsorbed H2 molecules on equilibrium adsorption properties and self- and transport diffusivities. We have also compared charges computed from periodic density functional theory (DFT) on the fully periodic CuBTC structure with charges derived from DFT calculations on cluster models of CuBTC. Our results indicate that carboxylate group atom charges computed from plane wave periodic DFT with the Bader charge analysis formalism are not consistent with the charges computed from the ChelpG method from Gaussian-based DFT cluster calculations. The charges derived from Bader analysis seem to be too large. Adsorption isotherms computed from Monte Carlo simulations and diffusivities computed from molecular dynamics simulations indicate that CQIs have a substantial impact on equilibrium and transport properties of H2 adsorbed in CuBTC at 77K. Conversely, both adsorption isotherms and diffusivities were shown to be essentially unaffected by CQIs at 298K. C1 [Liu, Jinchen; Rankin, Rees B.; Johnson, J. Karl] Natl Energy Technol Lab, Pittsburgh, PA USA. [Liu, Jinchen; Rankin, Rees B.; Johnson, J. Karl] Univ Pittsburgh, Dept Chem & Petr Engn, Pittsburgh, PA 15261 USA. RP Johnson, JK (reprint author), Natl Energy Technol Lab, Pittsburgh, PA USA. EM karlj@pitt.edu RI Johnson, Karl/E-9733-2013 OI Johnson, Karl/0000-0002-3608-8003 FU U. S. Department of Energy; National Energy Technology Laboratory [41817M203841817M2000] FX We thank Anant Kulkarni and Yang Wang for their helpful discussions. Funding for this work has been provided by the U. S. Department of Energy through the National Energy Technology Laboratory under grant No. 41817M203841817M2000. NR 54 TC 26 Z9 26 U1 5 U2 31 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0892-7022 J9 MOL SIMULAT JI Mol. Simul. PY 2009 VL 35 IS 1-2 BP 60 EP 69 AR PII 905686066 DI 10.1080/08927020802398926 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 397EG UT WOS:000262644600008 ER PT J AU Kallemov, B Miller, GH Trebotich, D AF Kallemov, B. Miller, G. H. Trebotich, D. TI A Duhamel approach for the Langevin equations with holonomic constraints SO MOLECULAR SIMULATION LA English DT Article; Proceedings Paper CT Nanotech 2008 Conference CY JUN 01-05, 2008 CL Boston, MA SP NSTI DE stochastic particle dynamics; RATTLE; particle-fluid coupling ID MOLECULAR-DYNAMICS; SYSTEMS AB To simulate polymer flows in microscale environments we have developed a numerical method that couples stochastic particle dynamics with an efficient incompressible Navier-Stokes solver. Here, we examine properties of the particle solver alone. We derive a Duhamel-form stochastic particle method for freely jointed polymers and demonstrate that it achieves 2-order weak convergence and 3/2-order strong convergence with holonomic constraints. For time steps approaching the 1/gamma relaxation time, our method displays greatly enhanced stability relative to comparable solvers based on linearised dynamics. Under these same conditions, our method has solution errors that are approximately six orders of magnitude smaller than that for the linearised algorithm. C1 [Kallemov, B.; Miller, G. H.] Univ Calif Davis, Dept Appl Sci, Davis, CA 95616 USA. [Miller, G. H.; Trebotich, D.] Univ Calif Berkeley, Lawrence Berkeley Lab, Appl Numer Algorithms Grp, Berkeley, CA 94720 USA. [Trebotich, D.] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA USA. RP Miller, GH (reprint author), Univ Calif Davis, Dept Appl Sci, Davis, CA 95616 USA. EM grgmiller@ucdavis.edu NR 13 TC 4 Z9 4 U1 0 U2 2 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0892-7022 J9 MOL SIMULAT JI Mol. Simul. PY 2009 VL 35 IS 6 BP 440 EP 447 DI 10.1080/08927020802541327 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 435UL UT WOS:000265368700003 ER PT J AU Zhao, XC AF Zhao, Xiongce TI Motions of ions in a nanoscale Paul trap from molecular dynamics SO MOLECULAR SIMULATION LA English DT Article; Proceedings Paper CT Annual Meeting of the American-Institute-of-Chemical-Engineers CY NOV, 2008 CL Philadelphia, PA SP AICHE DE Paul trap; molecular dynamics; ion ID MOLTEN SODIUM-CHLORIDE; MASS-SPECTROMETRY; CHARGE DYNAMICS; SIMULATION; TRANSLOCATION; CONDUCTIVITY; PARTICLES; PROTEINS; SYSTEM; FORCE AB Molecular dynamics simulations were used to study the motion of ions trapped inside a Paul trap of nanometre size. It is found that a single ion can be successfully trapped within nanoseconds if the applied electric voltages are in the range of hundreds of mV and the AC field has a frequency of GHz. The equilibration time and the oscillation amplitudes of the trapped ion depend on both the system temperature and applied voltages. Clusters are formed in the trap when both negatively and positively charged ions are introduced in the system, while only clusters that contain a net charge (non-neutralised clusters) can be trapped. Application of a supplemental DC driving field can effectively drive the ion off the trap centre and out of the trap. Existence of water solvent in the system helps to stabilise the trapping process. C1 Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Zhao, XC (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM zhaox@ornl.gov NR 39 TC 1 Z9 1 U1 0 U2 3 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0892-7022 J9 MOL SIMULAT JI Mol. Simul. PY 2009 VL 35 IS 10-11 BP 812 EP 821 DI 10.1080/08927020902801555 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 494DM UT WOS:000269789900006 ER PT J AU Xiong, RC Fern, JT Keffer, DJ Fuentes-Cabrera, M Nicholson, DM AF Xiong, Ruichang Fern, Jared T. Keffer, David J. Fuentes-Cabrera, Miguel Nicholson, Donald M. TI Molecular simulations of adsorption and diffusion of RDX in IRMOF-1 SO MOLECULAR SIMULATION LA English DT Article; Proceedings Paper CT Annual Meeting of the American-Institute-of-Chemical-Engineers CY NOV, 2008 CL Philadelphia, PA SP AIChE DE metal-organic framework; RDX; adsorption; diffusion; molecular simulation ID METAL-ORGANIC FRAMEWORKS; CANONICAL MONTE-CARLO; MM3 FORCE-FIELD; DYNAMICS SIMULATIONS; HYDROGEN STORAGE; MODEL POTENTIALS; GAS-ADSORPTION; CARBON-DIOXIDE; CU-BTC; WATER AB In order to test the feasibility of using metal-organic frameworks (MOFs) to pre-concentrate explosive molecules for detection, molecular simulations of hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX) within IRMOF-1 were performed. Grand canonical Monte Carlo (GCMC) simulations were used to generate adsorption isotherms for pure RDX, RDX in dry air, and RDX in wet air. In addition to the isotherms, the GCMC simulations provide adsorption energies and density distributions of the adsorbates within the MOF. Molecular dynamics simulations calculate diffusivities and provide a detailed understanding of the change in conformation of the RDX molecule upon adsorption. The presence of dry air has little influence on the amount of RDX that adsorbs. The presence of wet air increases the amount of RDX that adsorbs due to favourable interactions between RDX and water. We found a Henry's law constant of 21.2 mol/kg/bar for both pure RDX and RDX in dry air. The RDX adsorption sites are located (i) in big cages, (ii) near a vertex, and (iii) between benzene rings. The energy of adsorption of RDX at infinite dilution was found to be -9.2 kcal/mol. The distributions of bond lengths, bond angles and torsion angles in RDX are uniformly slightly broader in the gas phase than in the adsorbed phase, but not markedly so. The self-diffusivity of RDX in IRMOF-1 is a strong function of temperature, with an activation energy of 6.0 kcal/mol. C1 [Xiong, Ruichang; Fern, Jared T.; Keffer, David J.] Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA. [Fuentes-Cabrera, Miguel] Univ Tennessee, Oak Ridge Natl Lab, Joint Inst Computat Sci, Oak Ridge, TN USA. [Fuentes-Cabrera, Miguel] Ctr Nanophase Mat Sci, Oak Ridge, TN USA. [Nicholson, Donald M.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN USA. RP Keffer, DJ (reprint author), Univ Tennessee, Dept Chem & Biomol Engn, Knoxville, TN 37996 USA. EM dkeffer@utk.edu RI Xiong, Ruichang/O-3398-2013; Keffer, David/C-5133-2014; Fuentes-Cabrera, Miguel/Q-2437-2015 OI Xiong, Ruichang/0000-0001-9262-7545; Keffer, David/0000-0002-6246-0286; Fuentes-Cabrera, Miguel/0000-0001-7912-7079 NR 63 TC 23 Z9 24 U1 4 U2 30 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0892-7022 J9 MOL SIMULAT JI Mol. Simul. PY 2009 VL 35 IS 10-11 BP 910 EP 919 DI 10.1080/08927020902818013 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 494DM UT WOS:000269789900014 ER PT J AU Inoglu, N Kitchin, JR AF Inoglu, Nilay Kitchin, John R. TI Sulphur poisoning of water-gas shift catalysts: site blocking and electronic structure modification SO MOLECULAR SIMULATION LA English DT Article; Proceedings Paper CT Annual Meeting of the American-Institute-of-Chemical-Engineers CY NOV, 2008 CL Philadelphia, PA SP AIChE DE density-functional theory calculations; adsorption; electronic structure modification; sulphur; copper ID DENSITY-FUNCTIONAL THEORY; TRANSITION-METALS; SURFACES; REACTIVITY; CU(111); MODEL; PD; PSEUDOPOTENTIALS; ALLOYS AB Density-functional theory calculations were used to study sulphur poisoning of low Miller index surfaces of Cu(111), (100) and (110). The adsorption properties of S on the studied facets were investigated in different adsorption sites and at coverages between 0.25 and 1 ML. The comparison of adsorption energies among different facets showed that S adsorbs most strongly to the most open surface (110) and most weakly to the most close-packed surface (111). We found that the adsorption energy of S generally gets weaker with increasing coverage, and we related the coverage dependence to an adsorbate-induced surface electronic structure modification which broadens the surface d-band and which causes a consequent reduction in the average energy of the d-band centre due to conservation of d-band filling. The combination of site blocking and surface electronic structure modification leads to a reduction in the surface reactivity of the catalyst at higher coverages of S. C1 [Inoglu, Nilay; Kitchin, John R.] Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. [Kitchin, John R.] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Kitchin, JR (reprint author), Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. EM jkitchin@andrew.cmu.edu RI Kitchin, John/A-2363-2010 OI Kitchin, John/0000-0003-2625-9232 NR 22 TC 5 Z9 5 U1 3 U2 7 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0892-7022 J9 MOL SIMULAT JI Mol. Simul. PY 2009 VL 35 IS 10-11 BP 936 EP 941 DI 10.1080/08927020902833129 PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 494DM UT WOS:000269789900017 ER PT J AU Hlavacek, WS AF Hlavacek, William S. TI How to deal with large models? SO MOLECULAR SYSTEMS BIOLOGY LA English DT Editorial Material ID SYSTEMS; BIOLOGY C1 [Hlavacek, William S.] Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Div Theoret, Los Alamos, NM 87545 USA. [Hlavacek, William S.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. RP Hlavacek, WS (reprint author), Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Div Theoret, Mail Stop K710, Los Alamos, NM 87545 USA. EM wish@lanl.gov OI Hlavacek, William/0000-0003-4383-8711 NR 15 TC 16 Z9 16 U1 1 U2 3 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1744-4292 J9 MOL SYST BIOL JI Mol. Syst. Biol. PD JAN PY 2009 VL 5 AR 240 DI 10.1038/msb.2008.80 PG 3 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 404QH UT WOS:000263167600005 PM 19156132 ER PT S AU Cara, M Perlman, ES Uchiyama, Y Jester, S Georganopoulos, M Cheung, CC Sambruna, RM Sparks, WB Martel, A O'Dea, CP Baum, SA Axon, D Begelman, M Worrall, DM Birkinshaw, M Urry, CM Coppi, P Stawarz, L AF Cara, M. Perlman, E. S. Uchiyama, Y. Jester, S. Georganopoulos, M. Cheung, C. C. Sambruna, R. M. Sparks, W. B. Martel, A. O'Dea, C. P. Baum, S. A. Axon, D. Begelman, M. Worrall, D. M. Birkinshaw, M. Urry, C. M. Coppi, P. Stawarz, L. BE Heinz, S Wilcots, E TI Polarimetry and the High-Energy Emission Mechanisms in Quasar Jets SO MONSTER'S FIERY BREATH: FEEDBACK IN GALAXIES, GROUPS, AND CLUSTERS SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on Monsters Fiery Breath CY JUN 01-05, 2009 CL Madison, WI SP Natl Sci Fdn, NASA DE Radiation and spectra; Galaxies; Other ID HUBBLE-SPACE-TELESCOPE; X-RAY-EMISSION; ACTIVE GALACTIC NUCLEI; LARGE-SCALE JETS; M87 JET; CHANDRA OBSERVATIONS; COMPTON-SCATTERING; RADIO GALAXIES; PKS 0637-752; HOT-SPOTS AB The emission mechanisms in extragalactic jets include synchrotron and various inverse-Compton processes. At low (radio through infrared) energies, it is widely agreed that synchrotron emission dominates in both low-power (FR I) and high-power (FR II and quasar) jets, because of the power-law nature of the spectra observed and high polarizations. However, at higher energies, the emission mechanism for high-power jets at kpc scales is hotly debated. Two mechanisms have been proposed: either inverse-Compton of cosmic microwave background photons or synchrotron emission from a second, high-energy population of electrons. Here we discuss optical polarimetry as a method for diagnosing the mechanism for the high-energy emission in quasar jets, as well as revealing the jet's three-dimensional energetic and magnetic field structure. We then discuss high-energy emission mechanisms for powerful jets in the light of the HST polarimetry of PKS 1136-135. C1 [Cara, M.; Perlman, E. S.] Florida Inst Technol, Dept Phys & Space Sci, Melbourne, FL 32901 USA. [Uchiyama, Y.] SLAC, Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Jester, S.] Max Planck Inst Astron, D-69117 Heidelberg, Germany. [Georganopoulos, M.] Univ Maryland, Joint Ctr Astrophys, Baltimore, MD 21250 USA. [Cheung, C. C.; Sambruna, R. M.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Sparks, W. B.; Martel, A.] Space Telescope Sci Inst, Baltimore, MD 21218 USA. [O'Dea, C. P.; Baum, S. A.; Axon, D.] Rochester Inst Technol, CIS, Rochester, NY 14623 USA. [O'Dea, C. P.; Baum, S. A.; Axon, D.] Rochester Inst Technol, Dept Phys, Rochester, NY 14623 USA. [Begelman, M.] Univ Colorado, Joint Inst Lab Astrophys, Boulder, CO 80309 USA. [Worrall, D. M.; Birkinshaw, M.] Univ Bristol, Dept Phys, Bristol BS8 1TL, Avon, England. [Urry, C. M.] Yale Univ, Dept Phys, New Haven, CT 06520 USA. [Coppi, P.] Yale Univ, Dept Astron, New Haven, CT 06520 USA. [Stawarz, L.] Stanford Univ, KIPAC, Stanford, CA 94305 USA. RP Cara, M (reprint author), Florida Inst Technol, Dept Phys & Space Sci, Melbourne, FL 32901 USA. RI Cara, Mihai/G-1023-2013; Urry, Claudia/G-7381-2011; OI Urry, Claudia/0000-0002-0745-9792; Perlman, Eric/0000-0002-3099-1664 FU NASA UMBC FIT [NNG05-GD63DG, NNX07-AM17G]; HST [STGO- 11138]; NASA [DPR S-15633-Y]; NSC [DEC-2012/04/A/ST9/00083] FX TheNational RadioAstronomyObservatory is a facility of the National Science Foundation operated under cooperative agreement by Associated Universities, Inc. E.S.P., M.C., and M.G. acknowledge support from NASA grants NNG05-GD63DG at UMBC and NNX07-AM17G at FIT, and HST grant STGO- 11138. C.C.C. was supported at NRL by a Karles Fellowship and NASA DPR S-15633-Y. L.S. was supported by Polish NSC grant DEC-2012/04/A/ST9/00083. NR 27 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0738-1 J9 AIP CONF PROC PY 2009 VL 1201 BP 162 EP + DI 10.1063/1.3293024 PG 2 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BOD36 UT WOS:000276293300038 ER PT J AU Croom, SM Richards, GT Shanks, T Boyle, BJ Sharp, RG Bland-Hawthorn, J Bridges, T Brunner, RJ Cannon, R Carson, D Chiu, K Colless, M Couch, W De Propris, R Drinkwater, MJ Edge, A Fine, S Loveday, J Miller, L Myers, AD Nichol, RC Outram, P Pimbblet, K Roseboom, I Ross, N Schneider, DP Smith, A Stoughton, C Strauss, MA Wake, D AF Croom, Scott M. Richards, Gordon T. Shanks, Tom Boyle, Brian J. Sharp, Robert G. Bland-Hawthorn, Joss Bridges, Terry Brunner, Robert J. Cannon, Russell Carson, Daniel Chiu, Kuenley Colless, Matthew Couch, Warrick De Propris, Roberto Drinkwater, Michael J. Edge, Alastair Fine, Stephen Loveday, Jon Miller, Lance Myers, Adam D. Nichol, Robert C. Outram, Phil Pimbblet, Kevin Roseboom, Isaac Ross, Nicholas Schneider, Donald P. Smith, Allyn Stoughton, Chris Strauss, Michael A. Wake, David TI The 2dF-SDSS LRG and QSO Survey: the spectroscopic QSO catalogue SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE catalogues; surveys; white dwarfs; galaxies: active; quasars: general; galaxies: Seyfert ID DIGITAL-SKY-SURVEY; QUASAR LUMINOSITY FUNCTION; ACTIVE GALACTIC NUCLEI; SURVEY PHOTOMETRIC SYSTEM; HUBBLE-SPACE-TELESCOPE; 1ST DATA RELEASE; BLACK-HOLE MASS; REDSHIFT SURVEY; STELLAR OBJECTS; HOST GALAXIES AB We present the final spectroscopic QSO catalogue from the 2dF-SDSS LRG (luminous red galaxy) and QSO (2SLAQ) survey. This is a deep, 18 < g < 21.85 (extinction corrected), sample aimed at probing in detail the faint end of the broad line active galactic nuclei luminosity distribution at z less than or similar to 2.6. The candidate QSOs were selected from SDSS photometry and observed spectroscopically with the 2dF spectrograph on the Anglo-Australian Telescope. This sample covers an area of 191.9 deg(2) and contains new spectra of 16 326 objects, of which 8764 are QSOs and 7623 are newly discovered [the remainder were previously identified by the 2dF QSO Redshift Survey (2QZ) and SDSS]. The full QSO sample (including objects previously observed in the SDSS and 2QZ surveys) contains 12 702 QSOs. The new 2SLAQ spectroscopic data set also contains 2343 Galactic stars, including 362 white dwarfs, and 2924 narrow emission-line galaxies with a median redshift of z = 0.22. We present detailed completeness estimates for the survey, based on modelling of QSO colours, including host-galaxy contributions. This calculation shows that at g less than or similar to 21.85 QSO colours are significantly affected by the presence of a host galaxy up to redshift z similar to 1 in the SDSS ugriz bands. In particular, we see a significant reddening of the objects in g - i towards the fainter g-band magnitudes. This reddening is consistent with the QSO host galaxies being dominated by a stellar population of age at least 2-3 Gyr. The full catalogue, including completeness estimates, is available on-line at http://www.2slaq.info/. C1 [Croom, Scott M.; Bland-Hawthorn, Joss; Fine, Stephen] Univ Sydney, Sch Phys, Inst Astron, Sydney, NSW 2006, Australia. [Croom, Scott M.; Sharp, Robert G.; Bland-Hawthorn, Joss; Bridges, Terry; Cannon, Russell; Colless, Matthew] Anglo Australian Observ, Epping, NSW 1710, Australia. [Richards, Gordon T.] Drexel Univ, Dept Phys, Philadelphia, PA 19104 USA. [Shanks, Tom; Edge, Alastair; Outram, Phil; Ross, Nicholas; Wake, David] Univ Durham, Dept Phys, Durham DH1 3LE, England. [Boyle, Brian J.] Australia Telescope Natl Facil, Epping, NSW 1710, Australia. [Brunner, Robert J.; Myers, Adam D.] Univ Illinois, Dept Astron, Urbana, IL 61801 USA. [Carson, Daniel; Nichol, Robert C.] Univ Portsmouth, Mercantile House, Inst Cosmol & Gravitat, Portsmouth PO1 2EG, Hants, England. [Chiu, Kuenley] Univ Exeter, Sch Phys, Exeter EX4 4QL, Devon, England. [Couch, Warrick] Swinburne Univ Technol, Ctr Astrophys & Supercomp, Hawthorn, Vic 3122, Australia. [De Propris, Roberto] Cerro Tololo Interamer Observ, La Serena, Chile. [Drinkwater, Michael J.; Pimbblet, Kevin; Roseboom, Isaac] Univ Queensland, Dept Phys, Brisbane, Qld 4072, Australia. [Loveday, Jon; Roseboom, Isaac] Univ Sussex, Ctr Astron, Brighton BN1 9QJ, E Sussex, England. [Miller, Lance] Univ Oxford, Dept Phys, Oxford OX1 3RH, England. [Ross, Nicholas; Schneider, Donald P.] Penn State Univ, Dept Astron & Astrophys, Davey Lab 525, University Pk, PA 16802 USA. [Smith, Allyn] Univ Wyoming, Dept Phys & Astron, Laramie, WY 82071 USA. [Stoughton, Chris] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Strauss, Michael A.] Princeton Univ Observ, Princeton, NJ 08544 USA. RP Croom, SM (reprint author), Univ Sydney, Sch Phys, Inst Astron, Sydney, NSW 2006, Australia. EM scroom@physics.usyd.edu.au RI Drinkwater, Michael/A-2201-2008; OI Drinkwater, Michael/0000-0003-4867-0022; Edge, Alastair/0000-0002-3398-6916; Colless, Matthew/0000-0001-9552-8075 FU SDSS; SDSS II; Alfred P. Sloan Foundation; Participating Institutions; National Science Foundation; US Department of Energy; National Aeronautics and Space Administration; Japanese Monbukagakusho; Max Planck Society; Higher Education Funding Council for England; American Museum of Natural History; Astrophysical Institute Potsdam; University of Basel; University of Cambridge; Case Western Reserve University; University of Chicago; Drexel University; Fermilab; Institute for Advanced Study; Japan Participation Group; Johns Hopkins University; Joint Institute for Nuclear Astrophysics; Kavli Institute for Particle Astrophysics and Cosmology; Chinese Academy of Sciences (LAMOST; Los Alamos National Laboratory; Max-Planck-Institute for Astronomy (MPIA); Max- Planck-Institute for Astrophysics (MPA); New Mexico State University, Ohio State University; University of Pittsburgh; University of Portsmouth, Princeton University; United States Naval Observatory; University of Washington; Australian Research Council QEII Fellowship; Australian Academy of Science; National Science Foundation [AST06-07634] FX The 2SLAQ survey is based on the observations carried out with the AAT and as a part of the SDSS. We warmly thank all the present and former staff of the Anglo-Australian Observatory for their work in building and operating the 2dF facility. The 2QZ survey is based on the observations made with the AAT and the UK Schmidt Telescope.; Funding for the SDSS and SDSS II has been provided by the Alfred P. Sloan Foundation, the Participating Institutions, the National Science Foundation, the US Department of Energy, the National Aeronautics and Space Administration, the Japanese Monbukagakusho, the Max Planck Society and the Higher Education Funding Council for England. The SDSS Web Site is http://www.sdss.org/.; The SDSS is managed by the Astrophysical Research Consortium for the Participating Institutions. The Participating Institutions are the American Museum of Natural History, Astrophysical Institute Potsdam, University of Basel, University of Cambridge, Case Western Reserve University, University of Chicago, Drexel University, Fermilab, the Institute for Advanced Study, the Japan Participation Group, Johns Hopkins University, the Joint Institute for Nuclear Astrophysics, the Kavli Institute for Particle Astrophysics and Cosmology, the Korean Scientist Group, the Chinese Academy of Sciences (LAMOST), Los Alamos National Laboratory, the Max-Planck-Institute for Astronomy (MPIA), the Max- Planck-Institute for Astrophysics (MPA), New Mexico State University, Ohio State University, University of Pittsburgh, University of Portsmouth, Princeton University, the United States Naval Observatory and the University of Washington.; SMC acknowledges the support of an Australian Research Council QEII Fellowship and a J G Russell Award from the Australian Academy of Science. NPR and DPS acknowledge the support of National Science Foundation grant AST06-07634. NR 77 TC 78 Z9 78 U1 0 U2 4 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD JAN 1 PY 2009 VL 392 IS 1 BP 19 EP 44 DI 10.1111/j.1365-2966.2008.14052.x PG 26 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 392KX UT WOS:000262302700003 ER PT J AU Morlino, G Amato, E Blasi, P AF Morlino, G. Amato, E. Blasi, P. TI Gamma-ray emission from SNR RX J1713.7-3946 and the origin of galactic cosmic rays SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE acceleration of particles; magnetic fields ID SUPERNOVA-REMNANT G347.3-0.5; NONRELATIVISTIC SHOCK-WAVES; NONLINEAR PARTICLE-ACCELERATION; MAGNETIC-FIELD AMPLIFICATION; CASSIOPEIA-A; NONTHERMAL EMISSION; SHELL; CHANDRA; TEV; RX-J1713.7-3946 AB We calculate the flux of non-thermal radiations from the supernova remnant (SNR) RX J1713.7-3946 in the context of the non-linear theory of particle acceleration at shocks, which allows us to take into account self-consistently the dynamical reaction of the accelerated particles, the generation of magnetic fields in the shock proximity and the dynamical reaction of the magnetic field on the plasma. When the fraction of particles which get accelerated is of the order of similar to 10(-4), we find that the strength of the magnetic field obtained as a result of streaming instability induced by cosmic rays is compatible with the interpretation of the X-ray emitting filaments being produced by strong synchrotron losses in similar to 100 mu G magnetic fields. The maximum energy of accelerated protons is greater than or similar to 10(5) GeV. If the X-ray filaments are explained in alternative ways, the constraint on the magnetic field downstream of the shock disappears and the HESS data can be marginally fitted with ICS of relativistic electrons off a complex population of photons, tailored to comprise cosmic microwave background and ambient infrared/optical photons. The fit, typically poor at the highest energies, requires a large density of target photons within the remnant; only a fraction of the order of similar to 10(-6) of the background particles gets accelerated; the local magnetic field is of the order of similar to 20 mu G and the maximum energy of protons is much lower than the knee energy. Current HESS gamma-ray observations combined with recent X-ray observations by Suzaku do not allow as yet to draw a definitive conclusion on whether RX J1713.7-3946 is an efficient cosmic ray accelerator, although at the present time a hadronic interpretation of HESS data seems more likely. We discuss the implications of our results for the GLAST gamma-ray telescope, which should be able to discriminate the two scenarios discussed above, by observing the shape of the gamma-ray spectrum at lower energies. C1 [Morlino, G.; Amato, E.; Blasi, P.] Osserv Astrofis Arcetri, INAF, I-50125 Florence, Italy. [Blasi, P.] Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, Batavia, IL 60510 USA. RP Morlino, G (reprint author), Osserv Astrofis Arcetri, INAF, Largo E Fermi 5, I-50125 Florence, Italy. EM morlino@arcetri.astro.it; amato@arcetri.astro.it; blasi@arcetri.astro.it RI XRAY, SUZAKU/A-1808-2009; Blasi, Pasquale/O-9345-2015; Amato, Elena/P-2938-2015; OI Blasi, Pasquale/0000-0003-2480-599X; Amato, Elena/0000-0002-9881-8112; Morlino, Giovanni/0000-0002-5014-4817 FU INAF [PRIN-2005]; MIUR [PRIN-2006]; ASI-INAF [I/088/06/0]; US DOE [DE-AC02-07CH11359]; NASA [NAG5-10842] FX We are grateful to Damiano Caprioli and Gamil Cassam-Chenai for their precious comments. We are also grateful to the anonymous referee for the insights that contributed to improve the paper. This work was partially supported by INAF (under grant PRIN-2005), by MIUR (under grant PRIN-2006), by ASI through contract ASI-INAF I/088/06/0 and (for PB) by the US DOE and by NASA grant NAG5-10842. Fermilab is operated by Fermi Research Alliance, LLC under Contract No. DE-AC02-07CH11359 with the United States DOE. NR 45 TC 71 Z9 71 U1 0 U2 0 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD JAN 1 PY 2009 VL 392 IS 1 BP 240 EP 250 DI 10.1111/j.1365-2966.2008.14033.x PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 392KX UT WOS:000262302700015 ER PT B AU Huyue, Z Kornel, FE AF Huyue, Zhao Kornel, F. Ehmann GP ASME TI SINGLE- AND MULTI-STAND CHATTER MODELS IN TANDEM ROLLING MILLS SO MSEC 2008: PROCEEDINGS OF THE ASME INTERNATIONAL MANUFACTURING SCIENCE AND ENGINEERING CONFERENCE 2008, VOL 1 LA English DT Proceedings Paper CT ASME International Manufacturing Science and Engineering Conference CY OCT 07-10, 2008 CL Evanston, IL SP ASME, Mfg Engn Div DE Third-Octave-Mode Chatter; Rolling Dynamics; Rolling Stability; Self-excited Vibration ID 3RD-OCTAVE-MODE CHATTER; PART 3; STABILITY AB Many different modes of chatter and their possible causes have been identified after years of research, yet no clear and definite theory of their mechanics has been established. One of the most important reasons for this can be attributed to the fact that only oversimplified models with a single input and a single output were historically used to formulate chatter in rolling. Such a situation has hindered a complete analysis of the underlying mechanisms. In this paper, a state-space representation of single- and multi-stand chatter models will be proposed in a rigorous and comprehensive mathematical form for stability analysis of the various chatter mechanisms. First, a dynamic model of the rolling process that utilizes homogeneous deformation theory will be established that includes the material strain-hardening and work roll flattening effects. By coupling this dynamic rolling process model with a structural model for mill stands, a single-stand chatter model in a state-space representation will be proposed. Based on the single-stand chatter model, a multi-stand chatter model will be formulated by incorporating the inter-stand tension variations and the time delay effect of the strip transportation. A simulation program will also be presented for the study of the dynamic rolling process in the time domain and for verifying the results from stability analysis. C1 [Huyue, Zhao] Argonne Natl Lab, Div High Energy Phys, Argonne, IL 60439 USA. RP Huyue, Z (reprint author), Argonne Natl Lab, Div High Energy Phys, 9700 S Cass Av, Argonne, IL 60439 USA. EM hzhao@anl.gov; k-ehmann@northwestern.edu NR 14 TC 0 Z9 0 U1 1 U2 2 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4851-7 PY 2009 BP 627 EP 637 PG 11 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA BJK26 UT WOS:000266633200077 ER PT B AU Hush, DR Bement, MT Wong, TK AF Hush, Don R. Bement, Matthew T. Wong, Tim K. GP ASME TI INFERRING HARDNESS FROM HIGH-SPEED VIDEO OF THE MACHINING PROCESS SO MSEC 2008: PROCEEDINGS OF THE ASME INTERNATIONAL MANUFACTURING SCIENCE AND ENGINEERING CONFERENCE 2008, VOL 2 LA English DT Proceedings Paper CT ASME International Manufacturing Science and Engineering Conference CY OCT 07-10, 2008 CL Evanston, IL SP ASME, Mfg Engn Div AB This paper presents the results of a study to assess the feasibility of inferring workpiece material hardness from highspeed video data of chip formation obtained during a turning operation. The motivation for assessing hardness in situ comes from the fabrication of shaped charges, where spatial variation in hardness is known to affect the performance of the shaped charge. While other in-process data could be used for this purpose, video data are analyzed here because of the stand-off, non-contact advantages afforded. This is especially relevant for highly qualified machining processes for small-lot, high value parts where any interference with the process (e.g., introduction of cables near the machine tool) is undesirable. A multistep image processing procedure is presented which is used to extract several features from the video data. These features are then used to develop a classifier which can be used to predict workpiece hardness. Multiple classifier designs (Knn and Ratchet) are considered. C1 [Hush, Don R.; Bement, Matthew T.; Wong, Tim K.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Hush, DR (reprint author), Los Alamos Natl Lab, POB 1663,MS B265, Los Alamos, NM 87545 USA. EM dhush@lanl.gov; bement@lanl.gov; timw@lanl.gov NR 3 TC 0 Z9 0 U1 0 U2 1 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4852-4 PY 2009 BP 29 EP 36 PG 8 WC Biotechnology & Applied Microbiology; Engineering, Mechanical; Nanoscience & Nanotechnology SC Biotechnology & Applied Microbiology; Engineering; Science & Technology - Other Topics GA BJK29 UT WOS:000266633800004 ER PT S AU Evans, JW Zawadzki, RJ Liu, R Chan, JW Lane, SM Werner, JS AF Evans, Julia W. Zawadzki, Robert J. Liu, Rui Chan, James W. Lane, Stephen M. Werner, John S. BE Azar, FS Intes, X TI Optical coherence tomography and Raman spectroscopy of the retina SO MULTIMODAL BIOMEDICAL IMAGING IV SE Proceedings of SPIE-The International Society for Optical Engineering LA English DT Proceedings Paper CT Conference on Multimodal Biomedical Imaging IV CY JAN 24-26, 2009 CL San Jose, CA SP SPIE DE Raman Spectroscopy; Optical Coherence Tomography; Retinal Imaging AB Imaging the structure and correlating it with the biochemical content of the retina holds promise for fundamental research and for clinical applications. Optical coherence tomography (OCT) is commonly used to image the 3D structure of the retina and while the added functionality of biochemical analysis afforded by Raman scattering could provide critical molecular signatures for clinicians and researchers, there are many technical challenges to combining these imaging modalities. We present an ex vivo OCT microscope combined with Raman spectroscopy capable of collecting morphological and molecular information about a sample simultaneously. The combined instrument will be used to investigate remaining technical challenges to combine these imaging modalities, such as the laser power levels needed to achieve a Raman signal above the noise level without damaging the sample. C1 [Evans, Julia W.; Chan, James W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Evans, JW (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94550 USA. EM evans74@llnl.gov RI Zawadzki, Robert/E-7534-2011; Liu, Rui/E-1078-2013 OI Zawadzki, Robert/0000-0002-9574-156X; NR 15 TC 1 Z9 1 U1 0 U2 4 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7417-9 J9 P SOC PHOTO-OPT INS PY 2009 VL 7171 AR 71710O DI 10.1117/12.807885 PG 8 WC Engineering, Biomedical; Optics; Radiology, Nuclear Medicine & Medical Imaging SC Engineering; Optics; Radiology, Nuclear Medicine & Medical Imaging GA BSS48 UT WOS:000285709400015 ER PT S AU Procopio, MJ Kegelmeyer, WP Grudic, G Mulligan, J AF Procopio, Michael J. Kegelmeyer, W. Philip Grudic, Greg Mulligan, Jane BE Benediktsson, JA Kittler, J Roli, F TI Terrain Segmentation with On-Line Mixtures of Experts for Autonomous Robot Navigation SO MULTIPLE CLASSIFIER SYSTEMS, PROCEEDINGS SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 8th International Workshop on Multiple Classifier Systems CY JUN 10-12, 2009 CL Univ Iceland, Reykjavik, ICELAND SP Int Assioc Pattern Recognit & Tech Comm 1, IEEE Geosci & Remote Sensing Soc, IEEE Iceland Sect, Univ Cagliari, Univ Surrey HO Univ Iceland DE Mixture of Experts; Classifier Ensembles; Local Classifier Accuracy; Online Learning; Terrain Segmentation; Autonomous Robot Navigation ID EM ALGORITHM AB We describe an on-line machine learning ensemble technique, based on an adaptation of the mixture of experts (ME) model, for predicting terrain in autonomous outdoor robot navigation. Binary linear models, trained on-line on images seen by the robot at different points in time, are added to a model library as the robot navigates. To predict terrain in a given image, each model in the library is applied to feature data, from that image, and the models' predictions are combined according to a single-layer (flat) ME approach. Although these simple linear models have excellent discrimination in their local area in feature space, they do not generalize well to other types of terrain, and must be applied carefully. We use the distribution of training data as the source of the a priori pointwise mixture coefficients that form the soft gating network in the ME model. Single-class Gaussian models are learned during training, then later used to perform density estimation of incoming data points, resulting in pointwise estimates of model applicability. The combined output given by ME thus permits models to abstain front making predictions for certain parts of the image. We show that this method outperforms a less sophisticated, non-local baseline method in a statistically significant evaluation using natural datasets taken from the domain. C1 [Procopio, Michael J.; Kegelmeyer, W. Philip] Sandia Natl Labs, Livermore, CA 94551 USA. [Grudic, Greg; Mulligan, Jane] Univ Colorado, Dept Comp Sci, Boulder, CO 80309 USA. RP Procopio, MJ (reprint author), Sandia Natl Labs, Livermore, CA 94551 USA. EM mjproco@sandia.gov; wpk@sandia.gov; grudic@cs.colorado.edu; janem@cs.colorado.edu FU United States Department of Energy [DE-AC04-94AL85000.] FX The authors gratefully acknowledge the contribution of Sandia National Laboratories, the National Science Foundation, the DARPA LAGR program, and the anonymous referees insightful comments. Sandia National Laboratories is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under contract DE-AC04-94AL85000. NR 18 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-02325-5 J9 LECT NOTES COMPUT SC PY 2009 VL 5519 BP 385 EP + PG 3 WC Computer Science, Artificial Intelligence; Computer Science, Theory & Methods SC Computer Science GA BKU72 UT WOS:000269293000039 ER PT J AU Seleson, P Parks, ML Gunzburger, M Lehoucq, RB AF Seleson, Pablo Parks, Michael L. Gunzburger, Max Lehoucq, Richard B. TI PERIDYNAMICS AS AN UPSCALING OF MOLECULAR DYNAMICS SO MULTISCALE MODELING & SIMULATION LA English DT Article DE peridynamics; molecular dynamics; upscaling; higher-order gradient ID GRADIENT CONTINUUM-THEORIES; LONG-RANGE FORCES; WAVE-PROPAGATION; NONLINEAR ELASTICITY; CONTINUOUS MODELS; GRANULAR MATERIAL; DISCRETE MEDIA; DERIVATION; CONVERGENCE; DISPERSION AB Peridynamics is a formulation of continuum mechanics based on integral equations. It is a nonlocal model, accounting for the effects of long-range forces. Correspondingly, classical molecular dynamics is also a nonlocal model. Peridynamics and molecular dynamics have similar discrete computational structures, as peridynamics computes the force on a particle by summing the forces from surrounding particles, similarly to molecular dynamics. We demonstrate that the peridynamics model can be cast as an upscaling of molecular dynamics. Specifically, we address the extent to which the solutions of molecular dynamics simulations can be recovered by peridynamics. An analytical comparison of equations of motion and dispersion relations for molecular dynamics and peridynamics is presented along with supporting computational results. C1 [Seleson, Pablo; Gunzburger, Max] Florida State Univ, Dept Comp Sci, Tallahassee, FL 32306 USA. [Parks, Michael L.; Lehoucq, Richard B.] Sandia Natl Labs, Dept Appl Math & Applicat, Albuquerque, NM 87185 USA. RP Seleson, P (reprint author), Florida State Univ, Dept Comp Sci, 400 Dirac Sci Lib, Tallahassee, FL 32306 USA. EM ps06c@fsu.edu; mlparks@sandia.gov; gunzburg@fsu.edu; rblehou@sandia.gov RI Parks, Michael/A-2878-2008; OI Seleson, Pablo/0000-0003-3279-4231 FU Laboratory Directed Research and Development program at Sandia National Laboratories; United States Department of Energy [DE-AC04-94-AL85000] FX Department of Applied Mathematics and Applications, Sandia National Laboratories, P.O. Box 5800, MS 1320, Albuquerque, NM 87185-1320 (mlparks@sandia.gov, rblehou@sandia.gov). The work of these authors 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 United States Department of Energy under contract DE-AC04-94-AL85000. NR 36 TC 54 Z9 55 U1 1 U2 20 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1540-3459 J9 MULTISCALE MODEL SIM JI Multiscale Model. Simul. PY 2009 VL 8 IS 1 BP 204 EP 227 DI 10.1137/09074807X PG 24 WC Mathematics, Interdisciplinary Applications; Physics, Mathematical SC Mathematics; Physics GA 595AJ UT WOS:000277582800004 ER PT J AU Hauck, CD Lowrie, RB AF Hauck, Cory D. Lowrie, Robert B. TI TEMPORAL REGULARIZATION OF THE P-N EQUATIONS SO MULTISCALE MODELING & SIMULATION LA English DT Article DE diffusive relaxation; stiff relaxation; transport theory; P-N equations; temporal regularization; operator splitting ID DIFFUSIVE RELAXATION SCHEMES; WELL-BALANCED SCHEME; HYPERBOLIC SYSTEMS; CHEMOSENSITIVE MOVEMENT; RADIATIVE-TRANSFER; CONSERVATION-LAWS; KINETIC-EQUATIONS; NUMERICAL-METHODS; EDDINGTON FACTORS; EULER EQUATIONS AB In this paper, we introduce a regularization of the P-N equations for one-dimensional, slab geometries. These equations are used to describe particle transport through a material medium. Our regularization is based on a temporal splitting of fast and slow dynamics in the PN system. It uses ideas first introduced in [S. Jin, SIAM J. Sci. Comput., 21 (1999), pp. 441-454] for 2 x 2 systems to address systems of arbitrary size and with spatially varying media. The regularization captures the proper diffusion limit in diffusive regimes but behaves like the original PN system in streaming regimes. It also allows for larger times steps in diffusive regimes, when the original PN system is stiff. In particular, for simulations in which the computational mesh does not resolve the particle mean free path, the regularization admits a simple scheme with no stability restrictions on the time step. C1 [Hauck, Cory D.; Lowrie, Robert B.] Los Alamos Natl Lab, Computat Phys & Methods CCS 2, Los Alamos, NM 87545 USA. [Hauck, Cory D.] Los Alamos Natl Lab, Ctr Nonlinear Studies CNLS, Los Alamos, NM 87545 USA. RP Hauck, CD (reprint author), Los Alamos Natl Lab, Computat Phys & Methods CCS 2, Los Alamos, NM 87545 USA. EM cdhauck@lanl.gov; lowrie@lanl.gov OI Lowrie, Robert/0000-0001-5537-9183 FU U.S. Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396]; DOE Office of Science Advanced Computing Research (ASCR) Program FX This work was supported by the U.S. Department of Energy at Los Alamos National Laboratory under contract DE-AC52-06NA25396 and the DOE Office of Science Advanced Computing Research (ASCR) Program. NR 34 TC 6 Z9 6 U1 0 U2 3 PU SIAM PUBLICATIONS PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA SN 1540-3459 J9 MULTISCALE MODEL SIM JI Multiscale Model. Simul. PY 2009 VL 7 IS 4 BP 1497 EP 1524 DI 10.1137/07071024X PG 28 WC Mathematics, Interdisciplinary Applications; Physics, Mathematical SC Mathematics; Physics GA 499BY UT WOS:000270192800001 ER PT B AU Katko, KK Caffey, M Little, C Nelson, T Robinson, S Roussel-Dupre, D Salazar, A AF Katko, Kimberly K. Caffey, Michael Little, Cindy Nelson, Tony Robinson, Scott Roussel-Dupre, Diane Salazar, Anthony GP IEEE TI A Remote Sensing Lab in Space SO NAECON: PROCEEDINGS OF THE IEEE 2009 NATIONAL AEROSPACE & ELECTRONICS CONFERENCE LA English DT Proceedings Paper CT IEEE National Aerospace and Electronics Conference CY JUL 21-23, 2009 CL Dayton, OH SP IEEE Dayton Sect, IEEE Aerosp & Elect Soc AB Cibola Flight Experiment is a small experimental satellite that hosts a reconfigurable computer payload. The configurable high speed processing unit has the power to do significant data compression and the flexibility to run a wide variety of applications. The reconfigurable computer is made up of networks of radiation tolerant SRAM-based Field Programmable Gate Arrays (FPGAs). The ability to reconfigure provides the flexibility to do a lot of things not usually possible in a space environment. Payload algorithm development continued while the spacecraft was being integrated for launch rather than being frozen months in advance. A library of applications resides on the spacecraft, making theater-specific payload configuration possible. Applications are in an on-going state of development and improvements. This has allowed the project to adjust to spacecraft and payload anomalies, real-world signal environments and a wide range of post-launch needs. C1 [Katko, Kimberly K.] Los Alamos Natl Lab, ISR 4, Los Alamos, NM 87544 USA. [Caffey, Michael; Little, Cindy; Nelson, Tony; Robinson, Scott; Roussel-Dupre, Diane; Salazar, Anthony] Los Alamos Natl Lab, ISR Div, Los Alamos, NM USA. RP Katko, KK (reprint author), Los Alamos Natl Lab, ISR 4, Los Alamos, NM 87544 USA. EM kkatko@lanl.gov FU United States Department of Energy; National Nuclear Security Administration [Na-22] FX This work is funded by the United States Department of Energy,National Nuclear Security Administration,Na-22. NR 8 TC 0 Z9 0 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4244-4494-6 PY 2009 BP 269 EP + PG 2 WC Engineering, Aerospace SC Engineering GA BPK73 UT WOS:000279101400047 ER PT J AU Yarotski, DA Kilina, SV Talin, AA Tretiak, S Prezhdo, OV Balatsky, AV Taylor, AJ AF Yarotski, Dzmitry A. Kilina, Svetlana V. Talin, A. Alec Tretiak, Sergei Prezhdo, Oleg V. Balatsky, Alexander V. Taylor, Antoinette J. TI Scanning Tunneling Microscopy of DNA-Wrapped Carbon Nanotubes SO NANO LETTERS LA English DT Article ID SEPARATION; HYBRIDS; SIMULATION AB We employ scanning tunneling microscopy (STM) to reveal the structure of DNA-carbon nanotube complexes with unprecedented spatial resolution and compare our experimental results to molecular dynamics simulations. STM images show strands of DNA wrapping around (6,5) nanotubes at similar to 63 degrees angle with a coiling period of 3.3 nm, in agreement with the theoretical predictions. In addition, we observe width modulations along the DNA molecule itself with characteristic lengths of 1.9 and 2.5 nm, which remain unexplained. In our modeling we use a helical coordinate system, which naturally accounts for tube chirality along with an orbital charge density distribution and allows us to simulate this hybrid system with the optimal x-interaction between DNA bases and the nanotube. Our results provide novel insight into the self-assembling mechanisms of nanotube-DNA hybrids and can be used to guide the development of novel DNA-based nanotube separation and self-assembly methods, as well as drug delivery and cancer therapy techniques. C1 [Yarotski, Dzmitry A.; Kilina, Svetlana V.; Talin, A. Alec; Tretiak, Sergei; Balatsky, Alexander V.; Taylor, Antoinette J.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Kilina, Svetlana V.; Tretiak, Sergei; Balatsky, Alexander V.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Prezhdo, Oleg V.] Univ Washington, Dept Chem, Seattle, WA 98195 USA. [Talin, A. Alec] Sandia Natl Labs, Livermore, CA 94550 USA. RP Yarotski, DA (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, POB 1663, Los Alamos, NM 87545 USA. EM dzmitry@lanl.gov RI Yarotski, Dmitry/G-4568-2010; Tretiak, Sergei/B-5556-2009 OI Tretiak, Sergei/0000-0001-5547-3647 FU Los Alamos National Laboratory LDRD Program; Center for Integrated Nanotechnologies; US Department of Energy; Office of Basic Energy Sciences nanoscale science research center; Los Alamos and Sandia National Laboratories; US Department of Energy [DE-AC5206NA25396] 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 Security administration of the US Department of Energy under Contract DE-AC5206NA25396. NR 32 TC 73 Z9 75 U1 0 U2 29 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD JAN PY 2009 VL 9 IS 1 BP 12 EP 17 DI 10.1021/nl801455t 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 395IZ UT WOS:000262519100003 PM 19086808 ER PT J AU Clay, WA Liu, Z Yang, WL Fabbri, JD Dahl, JE Carlson, RMK Sun, Y Schreiner, PR Fokin, AA Tkachenko, BA Fokina, NA Pianetta, PA Melosh, N Shen, ZX AF Clay, William A. Liu, Zhi Yang, Wanli Fabbri, Jason D. Dahl, Jeremy E. Carlson, Robert M. K. Sun, Yun Schreiner, Peter R. Fokin, Andrey A. Tkachenko, Boryslav A. Fokina, Nataliya A. Pianetta, Piero A. Melosh, Nicholas Shen, Zhi-Xun TI Origin of the Monochromatic Photoemission Peak in Diamondoid Monolayers SO NANO LETTERS LA English DT Article ID SPECTROSCOPY; MODELS AB Recent photoemission experiments have discovered a highly monochromatized secondary electron peak emitted from diamondoid self-assembled monolayers on metal substrates. New experimental data and simulation results are presented to show that a combination of negative electron affinity and strong electron-phonon scattering is responsible for this behavior. The simulation results are generated using a simple Monte Carlo transport algorithm. The simulated spectra recreate the main spectral features of the measured ones. C1 [Liu, Zhi; Yang, Wanli] Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94550 USA. [Clay, William A.; Fabbri, Jason D.; Melosh, Nicholas; Shen, Zhi-Xun] Stanford Univ, Geballe Lab Adv Mat, Stanford, CA 94305 USA. [Dahl, Jeremy E.; Carlson, Robert M. K.] Chevron Technol, MolecularDiamond Technol, Richmond, CA 94802 USA. [Sun, Yun; Pianetta, Piero A.; Shen, Zhi-Xun] Stanford Univ, Stanford Synchrotron Radiat Lab, Stanford, CA 94309 USA. [Schreiner, Peter R.; Fokin, Andrey A.; Tkachenko, Boryslav A.; Fokina, Nataliya A.] Univ Giessen, Inst Organ Chem, D-35392 Giessen, Germany. RP Liu, Z (reprint author), Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94550 USA. EM zliu2@lbl.gov RI Fokin, Andrey/A-2869-2010; Schreiner, Peter Richard/A-4084-2008; Yang, Wanli/D-7183-2011; Liu, Zhi/B-3642-2009; OI Schreiner, Peter Richard/0000-0002-3608-5515; Yang, Wanli/0000-0003-0666-8063; Liu, Zhi/0000-0002-8973-6561; Fokin, Andrey/0000-0002-6381-8948 FU Chevron through the Stanford-Chevron Program on Diamondoid Nano-Science; U.S. Department of Energy; Office of Basic Energy Science, Division of Material Science and Engineering FX The work was supported by Chevron through the Stanford-Chevron Program on Diamondoid Nano-Science. Additional work done at the Stanford Synchrotron Radiation Laboratory, and the Advanced Light Source was supported by the U.S. Department of Energy through the Office of Basic Energy Science, Division of Material Science and Engineering. NR 16 TC 43 Z9 43 U1 1 U2 24 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD JAN PY 2009 VL 9 IS 1 BP 57 EP 61 DI 10.1021/nl802310k 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 395IZ UT WOS:000262519100010 PM 18975993 ER PT J AU Girit, C Bouchiat, V Naamanth, O Zhang, Y Crommie, MF Zetti, A Siddiqi, I AF Girit, Caglar Bouchiat, V. Naamanth, O. Zhang, Y. Crommie, M. F. Zetti, A. Siddiqi, I. TI Tunable Graphene do Superconducting Quantum Interference Device SO NANO LETTERS LA English DT Article AB Graphene exhibits unique electrical properties on account of its reduced dimensionality and "relativistic" band structure. When contacted with two superconducting electrodes, graphene can support Cooper pair transport, resulting in the well-known Josephson effect. We report here the fabrication and operation of a two junction do superconducting quantum interference device (SQUID) formed by a single graphene sheet contacted with aluminum/palladium electrodes in the geometry of a loop. The supercurrent in this device can be modulated not only via an electrostatic gate but also by an applied magnetic field-a potentially powerful probe of electronic transport in graphene and an ultrasensitive platform for nanomagnetometry. C1 [Girit, Caglar; Naamanth, O.; Zhang, Y.; Crommie, M. F.; Zetti, A.; Siddiqi, I.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Girit, Caglar; Crommie, M. F.; Zetti, A.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Naamanth, O.; Siddiqi, I.] Univ Calif Berkeley, Quantum Nanoelect Lab, Berkeley, CA 94720 USA. [Bouchiat, V.] UJF, CNRS, Inst Neel, F-38042 Grenoble 9, France. RP Zetti, A (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM azettl@berkeley.edu; irfan_siddiqi@berkeley.edu RI Girit, Caglar/D-4845-2014; Siddiqi, Irfan/E-5548-2015; Zettl, Alex/O-4925-2016 OI Girit, Caglar/0000-0001-8953-9261; Zettl, Alex/0000-0001-6330-136X FU Office of Energy Research, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy [AC0205CH11231]; Office of Naval Research [N00014-07-1-0774] FX This work was supported by the Director, Office of Energy Research, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy under contract DE-AC0205CH11231 and the Office of Naval Research under Grant N00014-07-1-0774. Y.Z. acknowledges a postdoctoral fellowship and V.B. a visiting professor fellowship from the Miller Institute, UC Berkeley. NR 8 TC 33 Z9 33 U1 1 U2 32 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 JAN PY 2009 VL 9 IS 1 BP 198 EP 199 DI 10.1021/nl802765x PG 2 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 395IZ UT WOS:000262519100036 PM 19090696 ER PT J AU Westover, T Jones, R Huang, JY Wang, G Lai, E Talin, AA AF Westover, Tyler Jones, Reese Huang, J. Y. Wang, George Lai, Elaine Talin, A. Alec TI Photoluminescence, Thermal Transport, and Breakdown in Joule-Heated GaN Nanowires SO NANO LETTERS LA English DT Article ID CHEMICAL-VAPOR-DEPOSITION; SILICON NANOWIRES; III-NITRIDES; CONDUCTIVITY; GROWTH; FILMS AB Thermal transport and breakdown in Joule-heated GaN nanowires is investigated using a combination of microphotoluminescence and in situ TEM characterization. The thermal conductivity of the nanowires is estimated to be <80 W/m.K, which is substantially below the bulk GaN value. Catastrophic breakdown in individual nanowires is observed to occur at a maximum temperature of approximately 1000 K, and nanowire morphology near the breakdown region indicates that failure occurs via thermal decomposition, a conclusion that is validated by in situ TEM images obtained during the failure process. C1 [Westover, Tyler; Jones, Reese; Lai, Elaine; Talin, A. Alec] Sandia Natl Labs, Livermore, CA 94550 USA. [Huang, J. Y.; Wang, George] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Talin, AA (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM aatalin@sandia.gov RI Wang, George/C-9401-2009; Huang, Jianyu/C-5183-2008 OI Wang, George/0000-0001-9007-0173; FU U.S. Department of Energy, Office of Basic Energy Sciences; Laboratory Directed Research and Development program at Sandia National Laboratories; United States Department of Energy [DE-AC0494AL85000] FX This work was funded in part by the U.S. Department of Energy, Office of Basic Energy Sciences, and was performed in part at the Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility. The authors gratefully acknowledge funding by the Laboratory Directed Research and Development program at Sandia National Laboratories. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under contract DE-AC0494AL85000. NR 22 TC 54 Z9 54 U1 1 U2 32 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD JAN PY 2009 VL 9 IS 1 BP 257 EP 263 DI 10.1021/nl802840w 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 395IZ UT WOS:000262519100048 PM 19090697 ER PT J AU Zhu, J Yu, ZF Burkhard, GF Hsu, CM Connor, ST Xu, YQ Wang, Q McGehee, M Fan, SH Cui, Y AF Zhu, Jia Yu, Zongfu Burkhard, George F. Hsu, Ching-Mei Connor, Stephen T. Xu, Yueqin Wang, Qi McGehee, Michael Fan, Shanhui Cui, Yi TI Optical Absorption Enhancement in Amorphous Silicon Nanowire and Nanocone Arrays SO NANO LETTERS LA English DT Article ID SOLAR-CELLS; PHOTOVOLTAIC APPLICATIONS; BROAD-BAND; NANOSTRUCTURES AB Hydrogenated amorphous Si (a-Si:H) is an important solar cell material. Here we demonstrate the fabrication of a-Si:H nanowires (NWs) and nanocones (NCs), using an easily scalable and IC-compatible process. We also investigate the optical properties of these nanostructures. These a-Si:H nanostructures display greatly enhanced absorption over a large range of wavelengths and angles of incidence, due to suppressed reflection. The enhancement effect is particularly strong for a-Si:H NC arrays, which provide nearly perfect impedance matching between a-Si:H and air through a gradual reduction of the effective refractive index. More than 90% of light is absorbed at angles of incidence up to 60 for a-Si:H NC arrays, which is significantly better than NW arrays (70%) and thin films (45%). In addition, the absorption of NC arrays is 88% at the band gap edge of a-Si:H, which is much higher than NW arrays (70%) and thin films (53%). Our experimental data agree very well with simulation. The a-Si:H nanocones function as both absorber and antireflection layers, which offer a promising approach to enhance the solar cell energy conversion efficiency. C1 [Hsu, Ching-Mei; McGehee, Michael; Cui, Yi] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. [Zhu, Jia; Fan, Shanhui] Stanford Univ, Dept Elect Engn, Stanford, CA 94305 USA. [Yu, Zongfu; Burkhard, George F.] Stanford Univ, Dept Appl Phys, Stanford, CA 94305 USA. [Connor, Stephen T.] Stanford Univ, Dept Chem, Stanford, CA 94305 USA. [Xu, Yueqin; Wang, Qi] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Cui, Y (reprint author), Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. EM yicui@stanford.edu RI Fan, Shanhui/B-4659-2012; Cui, Yi/L-5804-2013 OI Cui, Yi/0000-0002-6103-6352 FU U.S. Department of Energy [DE-FG36-08GOI8004] FX Y.C. acknowledges support from U.S. Department of Energy under the Award Number DE-FG36-08GOI8004. G.B. was supported by a grant from the global climate and energy project. J.Z. is a CPN Fellow. NR 21 TC 652 Z9 662 U1 44 U2 420 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD JAN PY 2009 VL 9 IS 1 BP 279 EP 282 DI 10.1021/nl802886y PG 4 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 395IZ UT WOS:000262519100052 PM 19072061 ER PT J AU Whitelam, S Rogers, C Pasqua, A Paavola, C Trent, J Geissler, PL AF Whitelam, Stephen Rogers, Carl Pasqua, Andrea Paavola, Chad Trent, Jonathan Geissler, Phillip L. TI The Impact of Conformational Fluctuations on Self-Assembly: Cooperative Aggregation of Archaeal Chaperonin Proteins SO NANO LETTERS LA English DT Article ID SULFOLOBUS-SHIBATAE; BUILDING-BLOCKS; DYNAMICS AB Protein complexes called rosettasomes self-assemble in solution to form large-scale filamentous and planar structures. The relative abundance of these aggregates varies abruptly with environmental conditions and sample composition. Our simulations of a model of patchy nanoparticles can reproduce this sharp crossover, but only if particles are allowed to switch between two internal states favoring different geometries of local binding. These results demonstrate how local conformational adaptivity can fundamentally influence the cooperativity of pattern-forming dynamics. C1 [Pasqua, Andrea; Geissler, Phillip L.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Whitelam, Stephen] Univ Warwick, Syst Biol Ctr, Coventry CV4 7AL, W Midlands, England. [Rogers, Carl] Univ Calif Berkeley, Biophys Grad Grp, Berkeley, CA 94720 USA. [Paavola, Chad; Trent, Jonathan] NASA, Ames Res Ctr, Bioengn Branch, Moffett Field, CA 94305 USA. [Geissler, Phillip L.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Geissler, Phillip L.] Lawrence Berkeley Natl Lab, Div Phys Biosci, Berkeley, CA 94720 USA. [Geissler, Phillip L.] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Geissler, PL (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM geissler@berkeley.edu FU U.S. Department of Energy [DE-AC02-05CH11231]; BioSim European Union Network of Excellence [LSHB-CT-2004-005137]; NIH Molecular Biophysics Training [T32GM08295]; Science Research Investment Fund 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. S.W. was supported by the BioSim European Union Network of Excellence (LSHB-CT-2004-005137). C.R. was supported by a NIH Molecular Biophysics Training Grant (T32GM08295). Computing facilities were provided in part by the Centre for Scientific Computing at the University of Warwick with support from the Science Research Investment Fund. We used VMD22 to render simulation configurations. NR 22 TC 15 Z9 15 U1 0 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD JAN PY 2009 VL 9 IS 1 BP 292 EP 297 DI 10.1021/nl8029306 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 395IZ UT WOS:000262519100055 PM 19072304 ER PT J AU Lerosey, G Pile, DFP Matheu, P Bartal, G Zhang, X AF Lerosey, G. Pile, D. F. P. Matheu, P. Bartal, G. Zhang, X. TI Controlling the Phase and Amplitude of Plasmon Sources at a Subwavelength Scale SO NANO LETTERS LA English DT Article ID EXTRAORDINARY OPTICAL-TRANSMISSION; HOLE ARRAYS; LIGHT; NANOSLIT; WIDTHS AB We present a new class of nanoscale plasmonic sources based on subwavelength dielectric cavities embedded in a metal slab. Exploiting the strong dispersion near the Fabry-Perot resonance in such a resonator, we control the phase and the amplitude of the generated plasmons at the subwavelength scale. As an example, we present a subwavelength unidirectional plasmonic antenna utilizing interference between two plasmonic cavity sources with matched phase and amplitude. C1 [Lerosey, G.; Pile, D. F. P.; Matheu, P.; Bartal, G.; Zhang, X.] Univ Calif Berkeley, NSF, Nanoscale Sci & Engn Ctr, Berkeley, CA 94720 USA. [Zhang, X.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Zhang, X (reprint author), Univ Calif Berkeley, NSF, Nanoscale Sci & Engn Ctr, 5130 Etcheverry Hall, Berkeley, CA 94720 USA. EM geoffroy.lerosey@espci.fr; xiang@berkeley.edu RI Zhang, Xiang/F-6905-2011; OI Pile, David/0000-0001-9961-1319; Lerosey, Geoffroy/0000-0002-7087-5377 FU AFOSR MURI [FA9550-04-1-0434]; NSF Nanoscale Science and Engineering Center [DMI-0327077]; French DGA [06-158185/DGA/D4S/MRIS/FR] FX This work was supported by AFOSR MURI (FA9550-04-1-0434) and NSF Nanoscale Science and Engineering Center (DMI-0327077). Geoffroy Lerosey acknowledges support from French DGA (Direction Generale pour l'Armement) under the grant No. 06-158185/DGA/D4S/MRIS/FR. NR 18 TC 54 Z9 57 U1 7 U2 41 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 JAN PY 2009 VL 9 IS 1 BP 327 EP 331 DI 10.1021/nl803079s 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 395IZ UT WOS:000262519100062 PM 19102691 ER PT J AU Stolyarova, E Stolyarov, D Bolotin, K Ryu, S Liu, L Rim, KT Klima, M Hybertsen, M Pogorelsky, I Pavlishin, I Kusche, K Hone, J Kim, P Stormer, HL Yakimenko, V Flynn, G AF Stolyarova, E. Stolyarov, D. Bolotin, K. Ryu, S. Liu, L. Rim, K. T. Klima, M. Hybertsen, M. Pogorelsky, I. Pavlishin, I. Kusche, K. Hone, J. Kim, P. Stormer, H. L. Yakimenko, V. Flynn, G. TI Observation of Graphene Bubbles and Effective Mass Transport under Graphene Films SO NANO LETTERS LA English DT Article ID SCANNING-TUNNELING-MICROSCOPY; SUSPENDED GRAPHENE; ELECTRONIC EXCITATION; DEFECT FORMATION; AMORPHOUS SIO2; CORE LEVELS; CARBON; DESORPTION; SHEETS; SCATTERING AB Mechanically exfoliated graphene mounted on a SiO(2)/Si substrate was subjected to HF/H(2)O etching or irradiation by energetic protons. In both cases gas was released from the SiO(2) and accumulated at the graphene/SiO(2) interface resulting in the formation of "bubbles" in the graphene sheet. Formation of these "bubbles" demonstrates the robust nature of single layer graphene membranes, which are capable of containing mesoscopic volumes of gas. In addition, effective mass transport at the graphene/SiO(2) interface has been observed. C1 [Stolyarova, E.; Ryu, S.; Liu, L.; Rim, K. T.; Flynn, G.] Columbia Univ, Dept Chem, New York, NY 10027 USA. [Stolyarova, E.; Bolotin, K.; Ryu, S.; Liu, L.; Rim, K. T.; Klima, M.; Hone, J.; Kim, P.; Flynn, G.] Columbia Univ, Nanoscale Sci & Engn Ctr, New York, NY 10027 USA. [Stolyarov, D.; Pogorelsky, I.; Pavlishin, I.; Kusche, K.; Yakimenko, V.] Brookhaven Natl Lab, Dept Phys, Accelerator Test Facil, Upton, NY 11973 USA. [Bolotin, K.; Kim, P.; Stormer, H. L.] Columbia Univ, Dept Phys, New York, NY 10027 USA. [Klima, M.; Hone, J.; Stormer, H. L.] Columbia Univ, Dept Mech Engn, New York, NY 10027 USA. [Hybertsen, M.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Stormer, H. L.] Columbia Univ, Dept Appl Phys, New York, NY 10027 USA. [Stormer, H. L.] Alcatel Lucent Technol, Bell Labs, Murray Hill, NJ 07974 USA. RP Flynn, G (reprint author), Columbia Univ, Dept Chem, New York, NY 10027 USA. RI Liu, Li/E-8959-2013; Kim, Philip/N-1886-2013; Hone, James/E-1879-2011; Bolotin, Kirill/O-5101-2016; OI Liu, Li/0000-0002-4852-1580; Hone, James/0000-0002-8084-3301; Hybertsen, Mark S/0000-0003-3596-9754 FU U.S. Department of Energy [DE-FG02-88-ER13937, DE-AC02-98CH10886]; National Science Foundation through the NSEC Program [CHE-06-41523]; New York State Office of Science, Technology, and Academic Research (NYSTAR); National Science Foundation [CHE-07-01483] FX The authors thank Donald Davis for technical assistance in proton irradiation experiments. This work was supported by the U.S. Department of Energy (DE-FG02-88-ER13937 to G.W.F. and DE-AC02-98CH10886 to M.S.H.), by the National Science Foundation through the NSEC Program (CHE-06-41523), and by the New York State Office of Science, Technology, and Academic Research (NYSTAR). Equipment support was provided by the National Science Foundation through Grant CHE-07-01483 (to G.W.F.). NR 40 TC 79 Z9 79 U1 8 U2 94 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD JAN PY 2009 VL 9 IS 1 BP 332 EP 337 DI 10.1021/nl803087x 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 395IZ UT WOS:000262519100063 PM 19105652 ER PT J AU Ford, AC Ho, JC Chueh, YL Tseng, YC Fan, ZY Guo, J Bokor, J Javey, A AF Ford, Alexandra C. Ho, Johnny C. Chueh, Yu-Lun Tseng, Yu-Chih Fan, Zhiyong Guo, Jing Bokor, Jeffrey Javey, Ali TI Diameter-Dependent Electron Mobility of InAs Nanowires SO NANO LETTERS LA English DT Article ID FIELD-EFFECT TRANSISTORS; SILICON NANOWIRES; CARBON NANOTUBES; HETEROSTRUCTURES; ARRAYS; DIELECTRICS; CAPACITANCE; DEVICES; SCALE AB Temperature-dependent I-V and C-V spectroscopy of single InAs nanowire field-effect transistors were utilized to directly shed light on the intrinsic electron transport properties as a function of nanowire radius. From C-V characterizations, the densities of thermally activated fixed charges and trap states on the surface of untreated (i.e., without any surface functionalization) nanowires are investigated while enabling the accurate measurement of the gate oxide capacitance, therefore leading to the direct assessment of the field-effect mobility for electrons. The field-effect mobility is found to monotonically decrease as the radius is reduced to <10 nm, with the low temperature transport data clearly highlighting the drastic impact of the surface roughness scattering on the mobility degradation for miniaturized nanowires. More generally, the approach presented here may serve as a versatile and powerful platform for in-depth characterization of nanoscale, electronic materials. C1 [Ford, Alexandra C.; Ho, Johnny C.; Chueh, Yu-Lun; Tseng, Yu-Chih; Fan, Zhiyong; Bokor, Jeffrey; Javey, Ali] Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. [Ford, Alexandra C.; Ho, Johnny C.; Chueh, Yu-Lun; Fan, Zhiyong; Bokor, Jeffrey; Javey, Ali] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Ford, Alexandra C.; Ho, Johnny C.; Chueh, Yu-Lun; Fan, Zhiyong; Javey, Ali] Univ Calif Berkeley, Berkeley Sensor & Actuator Ctr, Berkeley, CA 94720 USA. [Guo, Jing] Univ Florida, Dept Elect & Comp Engn, Gainesville, FL 32611 USA. RP Javey, A (reprint author), Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. EM ajavey@eecs.berkeley.edu RI Tseng, Yu-Chih/G-4213-2011; Fan, Zhiyong/C-4970-2012; Ho, Johnny/K-5275-2012; Javey, Ali/B-4818-2013; Bokor, Jeffrey/A-2683-2011; Chueh, Yu-Lun/E-2053-2013; OI Ho, Johnny/0000-0003-3000-8794; Chueh, Yu-Lun/0000-0002-0155-9987; Fan, Zhiyong/0000-0002-5397-0129 FU Intel Corporation; MARCO/MSD Focus Center Research Program; Berkeley Sensor and Actuator Center; LDRD FX This work was supported by Intel Corporation, MARCO/MSD Focus Center Research Program, and Berkeley Sensor and Actuator Center. J.C.H. acknowledges an Intel Graduate Fellowship. The synthesis part of this work was supported by a LDRD from Lawrence Berkeley National Laboratory. All fabrication was performed at the UC Berkeley Microlab facility. We thank Z. A. Jacobson for help with fabrication. NR 33 TC 193 Z9 199 U1 12 U2 88 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD JAN PY 2009 VL 9 IS 1 BP 360 EP 365 DI 10.1021/nl803154m 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 395IZ UT WOS:000262519100067 PM 19143505 ER PT J AU Hwang, YJ Boukai, A Yang, PD AF Hwang, Yun Jeong Boukai, Akram Yang, Peidong TI High Density n-Si/n-TiO2 Core/Shell Nanowire Arrays with Enhanced Photoactivity SO NANO LETTERS LA English DT Article ID SOLAR-CELLS; HYDROGEN GENERATION; WATER; ENERGY; PHOTOANODE; PHOTOLYSIS; ELECTRODE; FILMS AB There are currently great needs to develop low-cost inorganic materials that can efficiently perform solar water splitting as photoelectrolysis of water into hydrogen and oxygen has significant potential to provide clean energy. We investigate the Si/TiO2 nanowire heterostructures to determine their potential for the photooxidation of water. We observed that highly dense Si/TiO2 core/shell nanowire arrays enhanced the photocurrent by 2.5 times compared to planar Si/TiO2 structure due to their low reflectance and high surface area. We also showed that n-Si/n-TiO2 nanowire arrays exhibited a larger photocurrent and open circuit voltage than p-Si/n-TiO2 nanowires due to a barrier at the heterojunction. C1 [Yang, Peidong] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Yang, PD (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM p_yang@berkeley.edu FU U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Director, Office of Basic Energy Sciences, Chemical Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. We thank Professor Nate Lewis and his group for helpful discussion and assistance in the initial testing of our samples. NR 33 TC 292 Z9 294 U1 23 U2 284 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 JAN PY 2009 VL 9 IS 1 BP 410 EP 415 DI 10.1021/nl8032763 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 395IZ UT WOS:000262519100075 PM 19053790 ER PT J AU Liu, ZW Wang, Y Yao, J Lee, H Srituravanich, W Zhang, X AF Liu, Zhaowei Wang, Yuan Yao, Jie Lee, Hyesog Srituravanich, Werayut Zhang, Xiang TI Broad Band Two-Dimensional Manipulation of Surface Plasmons SO NANO LETTERS LA English DT Article ID ENHANCED RAMAN-SCATTERING; 2ND-HARMONIC GENERATION; NANOLITHOGRAPHY; RESONANCE; NANOPARTICLES; SUPERLENS; FILMS AB A plasmonic interference pattern can be formed when multiple surface plasmon waves overlap coherently. Utilizing a sharp edge coupling mechanism, we experimentally demonstrate plasmonic interference patterns that can be designed at will by shaping the edges in a metallic film. The patterns can also be dynamically tailored by adjusting the wavelength, the polarization, and the incident angle of the excitation light beam. Possessing the subdiffraction limited feature resolution, this dynamical manipulation method of surface plasmon patterns will have profound potentials in nanolithography, particle manipulation, and other related fields. C1 [Liu, Zhaowei; Wang, Yuan; Yao, Jie; Lee, Hyesog; Srituravanich, Werayut; Zhang, Xiang] Univ Calif Berkeley, NSF Nanoscale Sci & Engn Ctr NSEC, Berkeley, CA 94720 USA. [Zhang, Xiang] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Zhang, X (reprint author), Univ Calif Berkeley, NSF Nanoscale Sci & Engn Ctr NSEC, 5130 Etcheverry Hall, Berkeley, CA 94720 USA. EM xiang@berkeley.edu RI Srituravanich, Werayut/A-5167-2009; Liu, Zhaowei/A-8521-2010; Zhang, Xiang/F-6905-2011; Wang, Yuan/F-7211-2011 FU U.S. Department of Energy [DE-AC02-05CH11231]; Center for Scalable and Integrated Nanomanufacturing (SINAM); NSF Nanoscale Science and Engineering Center (NSEC) [DMI-0327077] FX This work was supported by the U.S. Department of Energy under Contract No. DE-AC02-05CH11231, and partially supported by the Center for Scalable and Integrated Nanomanufacturing (SINAM), an NSF Nanoscale Science and Engineering Center (NSEC), under award number DMI-0327077. NR 32 TC 38 Z9 39 U1 3 U2 22 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD JAN PY 2009 VL 9 IS 1 BP 462 EP 466 DI 10.1021/nl803460g 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 395IZ UT WOS:000262519100085 PM 19099461 ER PT J AU Liang, X Chang, ASP Zhang, Y Harteneck, BD Choo, H Olynick, DL Cabrini, S AF Liang, Xiaogan Chang, Allan S. P. Zhang, Yuegang Harteneck, Bruce D. Choo, Hyuck Olynick, Deirdre L. Cabrini, Stefano TI Electrostatic Force Assisted Exfoliation of Prepatterned Few-Layer Graphenes into Device Sites SO NANO LETTERS LA English DT Article ID EPITAXIAL GRAPHENE; PYROLYTIC-GRAPHITE; CARBON NANOTUBES; NANORIBBONS; TRANSISTORS; MICROSCOPE; BANDGAP; FILMS; OXIDE AB We present a novel fabrication method for incorporating nanometer to micrometer scale few-layer graphene (FLG) features onto substrates with electrostatic exfoliation. We pattern highly oriented pyrolytic graphite using standard lithographic techniques and subsequently, in a single step, exfoliate and transfer-print the prepatterned FLG features onto a silicon wafer using electrostatic force. We have successfully demonstrated the exfoliation/printing of 18 nm wide FLG nanolines and periodic arrays of 1.4 mu m diameter pillars. Furthermore, we have fabricated graphene nanoribbon transistors using the patterned graphene nanoline. Our electrostatic force assisted exfoliation/print process does not need additional adhesion layers and could be stepped and repeated to deliver the prepatterned graphitic material over wafer-sized areas and allows the construction of graphene-based integrated circuits. C1 [Liang, Xiaogan; Chang, Allan S. P.; Zhang, Yuegang; Harteneck, Bruce D.; Choo, Hyuck; Olynick, Deirdre L.; Cabrini, Stefano] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Liang, X (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM xliang@lbl.gov RI Zhang, Y/E-6600-2011 OI Zhang, Y/0000-0003-0344-8399 FU U.S. Department of Energy [DE-AC0205CH11231] 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-AC0205CH11231. NR 27 TC 64 Z9 64 U1 2 U2 40 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD JAN PY 2009 VL 9 IS 1 BP 467 EP 472 DI 10.1021/nl803512z 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 395IZ UT WOS:000262519100086 PM 19072062 ER PT B AU Wurtz, GA Wiederrecht, GP AF Wurtz, Gregory A. Wiederrecht, Gary P. BE Zayats, A Richards, D TI Nano-Optics with Hybrid Plasmonic Nanoparticles SO NANO-OPTICS AND NEAR-FIELD OPTICAL MICROSCOPY SE Artech House Nanoscale Science and Engineering Series LA English DT Article; Book Chapter ID METALLIC NANOPARTICLES; SILVER NANOPARTICLES; GOLD NANOPARTICLES; EXCITON DYNAMICS; COLLOIDAL SILVER; ENERGY-TRANSPORT; FRENKEL EXCITONS; CYANINE DYES; SURFACE; MICROSCOPY C1 [Wurtz, Gregory A.] Univ N Florida, Dept Chem & Phys, Jacksonville, FL 32224 USA. [Wiederrecht, Gary P.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Wurtz, GA (reprint author), Univ N Florida, Dept Chem & Phys, Jacksonville, FL 32224 USA. NR 85 TC 0 Z9 0 U1 0 U2 0 PU ARTECH HOUSE PI NORWOOD PA 685 CANTON ST, NORWOOD, MA 02062 USA BN 978-1-59693-283-8 J9 ART HSE NANO SCI ENG PY 2009 BP 201 EP 227 PG 27 WC Nanoscience & Nanotechnology; Optics SC Science & Technology - Other Topics; Optics GA BKC80 UT WOS:000267779700013 ER PT B AU Bachelot, R Plain, J Lerondel, G Royer, P Vial, A Hubert, C Soppera, O El Ahrach, HI Wiederrecht, GP Gray, SK AF Bachelot, R. Plain, J. Lerondel, G. Royer, P. Vial, A. Hubert, C. Soppera, O. El Ahrach, H. Ibn Wiederrecht, G. P. Gray, S. K. BE Zayats, A Richards, D TI Near-Field Optical Molecular Structuring and Manipulation Based on the Use of Localized Surface Plasmons SO NANO-OPTICS AND NEAR-FIELD OPTICAL MICROSCOPY SE Artech House Nanoscale Science and Engineering Series LA English DT Article; Book Chapter ID TUNNELING MICROSCOPE TIP; ENHANCEMENT; NANOLITHOGRAPHY; LITHOGRAPHY; FILMS C1 [Bachelot, R.; Plain, J.; Royer, P.; Vial, A.] Univ Technol Troyes, Lab Nanotechnol & Instrumentat Opt, ICD CNRS FRE2848, F-10010 Troyes, France. [Hubert, C.] CNRS, Lab Hubert Curien, UMR 5516, F-42000 St Etienne, France. [El Ahrach, H. Ibn; Wiederrecht, G. P.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. [Soppera, O.] Ecole Natl Super Chim Mulhouse, CNRS, Dept Photochim Gen, UMR 7525, F-68093 Mulhouse, France. [Gray, S. K.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Bachelot, R (reprint author), Univ Technol Troyes, Lab Nanotechnol & Instrumentat Opt, ICD CNRS FRE2848, 12 Rue Marie Curie,BP2060, F-10010 Troyes, France. NR 33 TC 0 Z9 0 U1 0 U2 0 PU ARTECH HOUSE PI NORWOOD PA 685 CANTON ST, NORWOOD, MA 02062 USA BN 978-1-59693-283-8 J9 ART HSE NANO SCI ENG PY 2009 BP 303 EP 318 PG 16 WC Nanoscience & Nanotechnology; Optics SC Science & Technology - Other Topics; Optics GA BKC80 UT WOS:000267779700018 ER PT J AU Zhu, K Wang, DG Liu, J AF Zhu, Kake Wang, Donghai Liu, Jun TI Self-Assembled Materials for Catalysis SO NANO RESEARCH LA English DT Review DE Self-assembly; mesoporous; microporous; nanoparticles; polyoxometalates; dendrimers; zeolites; layered double hydroxides; heterogeneous catalysis ID MESOPOROUS MOLECULAR-SIEVES; LAYERED DOUBLE HYDROXIDES; CATIONIC SILICA NANOPARTICLES; LOW-TEMPERATURE SYNTHESIS; ZEOLITE SINGLE-CRYSTALS; BREATHING IONIC-CRYSTAL; LIQUID-PHASE OXIDATION; CESIUM HYDROGEN SALT; SELECTIVE OXIDATION; AEROBIC OXIDATION AB The purpose of this review is to highlight developments in self-assembled nanostructured materials (i.e., mesoporous and nanoparticle-based materials) and their catalytic applications. Since there are many available reviews of metal-based nanoparticles as catalysts, this review will mainly focus on self-assembled oxide-based catalytic materials. The content includes: (1) design and synthetic strategies for self-assembled mesoporous catalysts, (2) polyoxometalate (POM)-based nanocatalysts, (3) dendrimer-based nanocatalysts, and (4) shaped nanomaterials and catalytic applications. We show that controlled assembly of molecules, crystalline seeds, and nano building blocks into organized mesoscopic structures or controlled morphologies is an effective approach for tailoring porosities of heterogeneous catalysts and controlling their catalytic activities. C1 [Zhu, Kake; Wang, Donghai; Liu, Jun] Pacific NW Natl Lab, Richland, WA 99252 USA. RP Liu, J (reprint author), Pacific NW Natl Lab, Richland, WA 99252 USA. EM jun.liu@pnl.gov NR 182 TC 33 Z9 33 U1 10 U2 155 PU TSINGHUA UNIV PRESS PI BEIJING PA TSINGHUA UNIV, RM A703, XUEYAN BLDG, BEIJING, 10084, PEOPLES R CHINA SN 1998-0124 J9 NANO RES JI Nano Res. PD JAN PY 2009 VL 2 IS 1 BP 1 EP 29 DI 10.1007/s12274-009-9002-2 PG 29 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 548DD UT WOS:000273938900001 ER PT S AU Datar, RH Ferrell, TL Thundat, T AF Datar, Ram H. Ferrell, Thomas L. Thundat, Thomas BE Schulz, MJ Shanov, VN Yun, Y TI Microcantilever Biomedical Sensors SO NANOMEDICINE DESIGN OF PARTICLES, SENSORS, MOTORS, IMPLANTS, ROBOTS, AND DEVICES SE Engineering in Medicine and Biology LA English DT Article; Book Chapter ID ARRAY; RECOGNITION; CANCER C1 [Datar, Ram H.; Thundat, Thomas] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Datar, Ram H.] Univ Miami, Miller Sch Med, Coral Gables, FL 33124 USA. [Ferrell, Thomas L.; Thundat, Thomas] Univ Tennessee, Dept Phys, Knoxville, TN 37996 USA. RP Datar, RH (reprint author), Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. EM rdatar@med.miami.edu; tferrell@utk.edu; thundattg@ornl.gov NR 21 TC 0 Z9 0 U1 0 U2 0 PU ARTECH HOUSE PI NORWOOD PA 685 CANTON ST, NORWOOD, MA 02062 USA SN 0278-0054 BN 978-1-59693-279-1 J9 ENG MED BIOL JI Eng. Med. Biol. PY 2009 BP 313 EP + PG 12 WC Engineering, Biomedical SC Engineering GA BLT30 UT WOS:000270976900011 ER PT S AU Lin, H Zheng, SY Balic, M Cote, R Tai, YC Datar, RH AF Lin, Henry Zheng, Siyang Balic, Marija Cote, Richard Tai, Yu Chong Datar, Ram H. BE Schulz, MJ Shanov, VN Yun, Y TI Microfabricated Devices for Detecting Circulating Tumor Cells in Cancer Patient Blood Samples SO NANOMEDICINE DESIGN OF PARTICLES, SENSORS, MOTORS, IMPLANTS, ROBOTS, AND DEVICES SE Engineering in Medicine and Biology LA English DT Article; Book Chapter ID FIELD-FLOW-FRACTIONATION; METASTATIC BREAST-CANCER; DETERMINISTIC LATERAL DISPLACEMENT; POLYMERASE-CHAIN-REACTION; PERIPHERAL-BLOOD; BONE-MARROW; STEM-CELLS; MICROFLUIDIC DEVICE; IMPEDANCE SPECTROSCOPY; ADJUVANT CHEMOTHERAPY C1 [Lin, Henry] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Zheng, Siyang] Penn State Univ, Dept Bioengn, University Pk, PA 16802 USA. [Balic, Marija] Med Univ Graz, Dept Oncol, Graz, Austria. [Cote, Richard] Univ Miami, Miller Sch Med, Dept Pathol, Miami, FL 33136 USA. [Tai, Yu Chong] CALTECH, Dept Elect Engn, Pasadena, CA 91125 USA. RP Lin, H (reprint author), Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. EM linh1@ornl.gov; sxz10@psu.edu; marija.balic@medunigraz.at; RCote@med.miami.edu; tai@mems.caltech.edu; rdatar@med.miami.edu NR 86 TC 0 Z9 0 U1 0 U2 3 PU ARTECH HOUSE PI NORWOOD PA 685 CANTON ST, NORWOOD, MA 02062 USA SN 0278-0054 BN 978-1-59693-279-1 J9 ENG MED BIOL JI Eng. Med. Biol. PY 2009 BP 347 EP + PG 19 WC Engineering, Biomedical SC Engineering GA BLT30 UT WOS:000270976900013 ER PT B AU Panessa-Warren, BJ Warrren, JB Maye, MM Schiffer, W AF Panessa-Warren, Barbara J. Warrren, John B. Maye, Mathew M. Schiffer, Wynne BE Bellucci, S TI Nanoparticle Interactions with Living Systems: In Vivo and In Vitro Biocompatibility SO NANOPARTICLES AND NANODEVICES IN BIOLOGICAL APPLICATIONS: THE INFN LECTURES - VOL I SE Lecture Notes in Nanoscale Science and Technology LA English DT Proceedings Paper CT International School and Workshop on Nanoscience and Nanotechnology CY NOV 06-09, 2006 CL Rome, ITALY SP Univ Rome, Tor Vergata, Catholic Univ Rome ID WALLED CARBON NANOTUBES; QUANTUM DOTS; PULMONARY TOXICITY; MAMMALIAN-CELLS; CYTOTOXICITY; SIZE; DEPENDENCE; PARTICLES; SURFACE; FIBROBLASTS C1 [Panessa-Warren, Barbara J.] Brookhaven Natl Lab, Dept Energy Sci & Technol, Upton, NY 11973 USA. [Warrren, John B.] Brookhaven Natl Lab, Div Instrumentat Ctr Funct, Upton, NY 11973 USA. [Warrren, John B.; Maye, Mathew M.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. [Schiffer, Wynne] Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. RP Panessa-Warren, BJ (reprint author), Brookhaven Natl Lab, Dept Energy Sci & Technol, Upton, NY 11973 USA. NR 62 TC 3 Z9 3 U1 1 U2 2 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY BN 978-3-540-70946-6; 978-3-540-70943-5 J9 LECT NOTES NANOSCALE PY 2009 VL 4 BP 1 EP 45 PG 45 WC Nanoscience & Nanotechnology SC Science & Technology - Other Topics GA BLP42 UT WOS:000270726500002 ER PT S AU Xie, HZ Swanson, BI Kawaga, HK Trent, JD Kumara, M Ippolito, T Cotlet, M AF Xie, Hongzhi Swanson, Basil I. Kawaga, Hiromi K. Trent, Jonathan D. Kumara, Mudalige Ippolito, Thomas Cotlet, Mircea BE Cartwright, AN Nicolau, DV TI Intrinsic fluorescent recognition ligand scaffold based on chaperonins and water-soluble semiconductor quantum dots SO NANOSCALE IMAGING, SENSING, AND ACTUATION FOR BIOMEDICAL APPLICATIONS VI SE Proceedings of SPIE-The International Society for Optical Engineering LA English DT Proceedings Paper CT Conference on Nanoscale Imaging, Sensing, and Actuation for Biomedical Applications VI CY JAN 27-28, 2009 CL San Jose, CA SP SPIE DE chaperonins; semiconductor quantum dots; fluorescence correlation spectroscopy; biosensors ID GROUP-II CHAPERONIN; HYPERTHERMOPHILIC ARCHAEON; NANOPARTICLE ARRAYS; SULFOLOBUS-SHIBATAE; AQUEOUS-SOLUTION; PROTEIN; MOLECULES; DYNAMICS; NANOSTRUCTURES; EXCITATION AB We describe genetic engineering of a novel protein-nanoparticle hybrid system with great potential for patterning of various types of nanoparticles and for biosensing applications. The hybrid system is based on a genetically-modified chaperonin protein from the hyperthermophilic archaeon Sulfolobus shibatae. This chaperonin is an 18-subunit double ring, which self-assembles in the presence of Mg ions and ATP. We describe a chaperonin mutant (His-beta-loopless:HBLL), with increased access to the central cavity and His-tags on each subunit extending into the central cavity. This mutant binds water-soluble semiconductor quantum dots, creating a protein-encapsulated fluorescent nanoparticle. By adding selective binding sites to the solvent-exposed regions of the chaperonin, this protein-nanoparticle bioconjugate becomes a sensor for specific targets. Using a combination of biochemical and spectroscopic assays, we characterize the formation, stoichiometry, affinity and stability of these novel sensors. C1 [Xie, Hongzhi; Swanson, Basil I.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Swanson, BI (reprint author), Los Alamos Natl Lab, Div Chem, MS J567, Los Alamos, NM 87545 USA. EM basil@lanl.gov; cotlet@bnl.gov RI Cotlet, Mircea/C-5004-2008 NR 33 TC 0 Z9 0 U1 0 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7434-6 J9 P SOC PHOTO-OPT INS PY 2009 VL 7188 AR 718807 DI 10.1117/12.809576 PG 12 WC Engineering, Biomedical; Nanoscience & Nanotechnology; Remote Sensing; Optics; Imaging Science & Photographic Technology SC Engineering; Science & Technology - Other Topics; Remote Sensing; Optics; Imaging Science & Photographic Technology GA BSS54 UT WOS:000285711600003 ER PT B AU Mihajlovic, G von Molnar, S AF Mihajlovic, Goran von Molnar, Stephan BE Liu, JP Fullerton, E Gutfleisch, O Sellmyer, DJ TI Solid-State Magnetic Sensors for Bioapplications SO NANOSCALE MAGNETIC MATERIALS AND APPLICATIONS LA English DT Proceedings Paper CT Symposium on Nanoscale Magnetic Materials and Applications held at the 2007 MRS Fall Meeting CY NOV, 2007 CL Boston, MA SP Mat Res Soc ID SPIN-VALVE SENSORS; GIANT MAGNETORESISTIVE SENSORS; BIOLOGICAL APPLICATIONS; HALL SENSORS; SUPERPARAMAGNETIC NANOPARTICLES; SENSITIVE DIAGNOSTICS; LABELED BIOMOLECULES; ROOM-TEMPERATURE; BIOSENSOR; MODEL AB During the last decade, intensive research efforts have been expended to develop solid-state magnetic sensors for applications such as biomolecular sensing and single molecule detection. This chapter reviews sensors proposed thus far, including (a) GMR and spin valve sensors based on the giant magnetoresistance (GMR) effect; (b) magnetic tunnel junction (MTJ) sensors based on tunneling magnetoresistance (TMR); (c) anisotropic magnetoresistance (AMR) ring sensors and planar Hall effect sensors based on the AMR effect; (d) Hall sensors based on the classical Hall effect; and (e) giant magnetoimpedance (GMI) sensors based on the frequency-dependent variation of the skin depth in magnetic wires with field. Two different types of sensors are highlighted: the ones with large sensing areas (hundreds of mu m(2)) intended to provide statistical counting of a large number of magnetic micro- or nanoparticles and the others with micro- or submicrometer-sized sensing areas that focus on single particle detection. C1 [Mihajlovic, Goran; von Molnar, Stephan] Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. RP Mihajlovic, G (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM mihajlovic@anl.gov NR 57 TC 1 Z9 1 U1 1 U2 5 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-0-387-85598-1 PY 2009 BP 685 EP + DI 10.1007/978-0-387-85600-1_23 PG 4 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA BMO84 UT WOS:000273183100023 ER PT S AU Lin, YH Wang, J Liu, GD Timchalk, C AF Lin, Yuehe Wang, Jun Liu, Guodong Timchalk, Charles BE Nagarajan, R Zukas, W Hatton, TA Lee, S TI Portable Analytical Systems for On-Site Diagnosis of Exposure to Pesticides and Nerve Agents SO NANOSCIENCE AND NANOTECHNOLOGY FOR CHEMICAL AND BIOLOGICAL DEFENSE SE ACS Symposium Series LA English DT Proceedings Paper CT 234th American-Chemical-Society National Meeting CY AUG 17-19, 2007 CL Boston, MA SP Amer Chem Soc, Div Colloid & Surface Chem ID CHEMICAL WARFARE NERVE; CARBON NANOTUBES; ORGANOPHOSPHATE PESTICIDES; IN-VITRO; BIOSENSOR; ACETYLCHOLINESTERASE; CHOLINESTERASE; IMMUNOASSAY; ELECTRODE; NANOPARTICLES AB In this chapter, we summarize recent work in our laboratory on the development of sensitive portable analytical systems for use in on-site detection of exposure to organophosphate (OP) pesticides and chemical nerve agents. These systems are based on various nanomaterials functioning as transducers; recognition agents or labels and various elelectrochemical/immunoassay techniques. The studied nanomaterials included functionalized carbon nanotubes (CNT), zirconia nanoparticles (NPs) and quantum dots (QDs). Three biomarkers e.g. the free OPs, metabolites of OPs and protein-OP adducts in biological matrices have been employed for biomonitoring of OP exposure with our developed system. It has been found that the nanomaterial-based portable analytical systems have high sensitivity for the detection of the biomarkers, which suggest that these technologies offer great promise for the rapid and on-site detection and evaluation of OP exposure. C1 [Lin, Yuehe; Wang, Jun; Liu, Guodong; Timchalk, Charles] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Lin, YH (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. RI Lin, Yuehe/D-9762-2011 OI Lin, Yuehe/0000-0003-3791-7587 NR 46 TC 3 Z9 3 U1 1 U2 3 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 SIXTEENTH ST NW, WASHINGTON, DC 20036 USA SN 0097-6156 BN 978-0-8412-6981-1 J9 ACS SYM SER JI ACS Symp. Ser. PY 2009 VL 1016 BP 85 EP 98 PG 14 WC Biochemistry & Molecular Biology; Chemistry, Multidisciplinary; Nanoscience & Nanotechnology SC Biochemistry & Molecular Biology; Chemistry; Science & Technology - Other Topics GA BVW58 UT WOS:000292990100007 ER PT S AU Misra, A Demkowicz, MJ Zhang, X Hoagland, RG Nastasi, M AF Misra, A. Demkowicz, M. J. Zhang, X. Hoagland, R. G. Nastasi, M. BE Grivel, JC Hansen, N Huang, X Jensen, DJ Mishin, OV Nielsen, SF Pantleon, W Toftegaard, H Winther, G Yu, T TI NANOCOMPOSITES - MECHANICAL BEHAVIOR AND RADIATION EFFECTS SO NANOSTRUCTURED METALS: FUNDAMENTALS TO APPLICATIONS SE RISO INTERNATIONAL SYMPOSIUM ON MATERIAL SCIENCE LA English DT Proceedings Paper CT 30th Riso International Symposium on Materials Science - Nanostructures Metals Fundamentals to Applications CY SEP 07-11, 2009 CL Riso, DENMARK SP Riso DTU Natl Lab Sustainable Engery, Mat Res Div ID EMBEDDED-ATOM METHOD; NANOSTRUCTURED MATERIALS; CU/NB MULTILAYERS; IRRADIATION; COMPOSITES; DEFECTS; METALS AB The combination of high strength and high radiation damage tolerance in nanolaminate composites can be achieved when the individual layers in these composites are only a few nanometers thick and therefore these materials contain a large volume fraction associated with interfaces. These interfaces act both as obstacles to slip, as well as sinks for radiation-induced defects. The morphological and phase stabilities of these nano-composites under ion irradiation are explored as a function of layer thickness, temperature and interface structure. Using results on model systems such as Cu-Nb, we highlight the critical role of the atomic structure of the incoherent interfaces that exhibit multiple states with nearly degenerate energies in acting as sinks for radiation-induced point defects. Reduced radiation damage also leads to a reduction in the irradiation hardening, particularly at layer thickness of approximately 5 nm and below. The strategies for design of radiation-tolerant structural materials based on the knowledge gained from this work will be discussed. C1 [Misra, A.; Hoagland, R. G.; Nastasi, M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Misra, A (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI Misra, Amit/H-1087-2012; Hoagland, Richard/G-9821-2012 NR 19 TC 0 Z9 0 U1 0 U2 5 PU RISO NATL LABORATORY PI ROSKILDE PA POSTBOX 49, DK-4000 ROSKILDE, DENMARK SN 0907-0079 BN 978-87-550-3776-2 J9 RISO MAT SCI PY 2009 BP 117 EP 123 PG 7 WC Nanoscience & Nanotechnology; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Metallurgy & Metallurgical Engineering GA BPV40 UT WOS:000280090000008 ER PT B AU Hu, MZ Lai, P Bhuiyan, MS Tsouris, C Gu, B Paranthaman, MP Gabitto, J AF Hu, M. Z. Lai, P. Bhuiyan, M. S. Tsouris, C. Gu, B. Paranthaman, M. P. Gabitto, J. BE Laudon, M Romanowicz, B TI Synthesis and Characterization of Anodized Titanium Oxide Nanotubes Arrays SO NANOTECH CONFERENCE & EXPO 2009, VOL 1, TECHNICAL PROCEEDINGS LA English DT Proceedings Paper CT Nanotech 2009 Conference CY MAY 03-07, 2009 CL Houston, TX SP Acctron AG, Adv Energy Consortium, Alliance NanoHealth, Appl Mat, Bayer MaterialScience, Buchanan Ingersoll & Rooney PC, Buhler PARTEC GmbH, Ctr Appl Nanotechnol GmbH, Ctr Biol & Environm Nanotechnol, Clean Technol & Sustainable Ind Org, CMP, CTC Nanotechnol GmbH, DREEBIT GmbH, ETH Zurich, ETH Transfer, ETH Zurich, MNSP, Folcy & Lardner LLP, FDA, Goodwin Procter LLC, HiNanoAnalytics, Houston Technol Ctr, Inno X GmbH, Innovat Alliance Carbon Nanotubes, Italian Tradde Commiss, Jackson Walket LLP, JENOPTIK, Lockheed Martin, Nano Sci & Technol Inst, nano tech 2009 Japan, NanoEurope Fair & Conf, Nanograde Llc, NanoInk, NANOSENSORS, NanoSPRINT, NanoWorld AG, NCI, NIH, Opportun Houston, OSEC, Pearland Econ Dev Corp, Res Germany Land Ideas, Richard Smalley Inst Nanoscale Sci & Technol, Taylor & Francis Grp LLC, CRC Press, TechConnect, Texas Nanotechnol Initiat, IEEE Stand Assoc, Russian Corp Nanotechnologies, TurboBeads Llc, Weidmann Plast Technol AG DE TiO(2); anodization; nanostructures; anatase; water splitting ID WATER AB Anodized titanium oxide containing highly ordered, vertically oriented TiO(2) nanotube arrays is a nanomaterial architecture that shows promise for diverse applications. In this paper, an anodization synthesis using HF-free aqueous solutions is described. The anodized TiO(2) film samples (amorphous, anatase, and rutile) on titanium foils were characterized using scanning electron microscopy, X-ray diffraction, and Raman spectroscopy. Additional testing was performed using an electrochemical cell to study the photoelectrochemical splitting of water. Results were analyzed in terms of the efficiency of current generated, defined as the ratio of the difference between the electrical energy output and the electrical energy input divided by the input radiation energy. It was determined that the anatase crystalline structure is a better photocatalytic material for hydrogen production via photoelectrochemical splitting of water. C1 [Hu, M. Z.; Lai, P.; Bhuiyan, M. S.; Tsouris, C.; Gu, B.; Paranthaman, M. P.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Hu, MZ (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM jgabitto@aol.com RI Gu, Baohua/B-9511-2012; Paranthaman, Mariappan/N-3866-2015; Tsouris, Costas/C-2544-2016; OI Gu, Baohua/0000-0002-7299-2956; Paranthaman, Mariappan/0000-0003-3009-8531; Tsouris, Costas/0000-0002-0522-1027; Hu, Michael/0000-0001-8461-9684 NR 7 TC 1 Z9 1 U1 0 U2 1 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4398-1782-7 PY 2009 BP 242 EP 245 PG 4 WC Nanoscience & Nanotechnology SC Science & Technology - Other Topics GA BMP72 UT WOS:000273296000066 ER PT B AU Kim, DH Rozhkova, EA Rajh, T Bader, SD Novosad, V AF Kim, Dong-Hyun Rozhkova, Elena A. Rajh, Tijana Bader, Samuel D. Novosad, Valentyn BE Laudon, M Romanowicz, B TI Thermoresponsive Magnetic Micelles for Simultaneous Magnetic Hyperthermia and Drug Delivery SO NANOTECH CONFERENCE & EXPO 2009, VOL 2, TECHNICAL PROCEEDINGS LA English DT Proceedings Paper CT Nanotech 2009 Conference CY MAY 03-07, 2009 CL Houston, TX SP Acctron AG, Adv Energy Consortium, Alliance NanoHealth, Appl Mat, Bayer MaterialScience, Buchanan Ingersoll & Rooney PC, Buhler PARTEC GmbH, Ctr Appl Nanotechnol GmbH, Ctr Biol & Environm Nanotechnol, Clean Technol & Sustainable Ind Org, CMP, CTC Nanotechnol GmbH, DREEBIT GmbH, ETH Zurich, ETH Transfer, ETH Zurich, MNSP, Folcy & Lardner LLP, FDA, Goodwin Procter LLC, HiNanoAnalytics, Houston Technol Ctr, Inno X GmbH, Innovat Alliance Carbon Nanotubes, Italian Tradde Commiss, Jackson Walket LLP, JENOPTIK, Lockheed Martin, Nano Sci & Technol Inst, nano tech 2009 Japan, NanoEurope Fair & Conf, Nanograde Llc, NanoInk, NANOSENSORS, NanoSPRINT, NanoWorld AG, NCI, NIH, Opportun Houston, OSEC, Pearland Econ Dev Corp, Res Germany Land Ideas, Richard Smalley Inst Nanoscale Sci & Technol, Taylor & Francis Grp LLC, CRC Press, TechConnect, Texas Nanotechnol Initiat, IEEE Stand Assoc, Russian Corp Nanotechnologies, TurboBeads Llc, Weidmann Plast Technol AG DE thermoresponsive materials; magnetic nanoparticles; hyperthermia; drug delivery ID POLYMERIC MICELLES; NANOPARTICLES AB Multifunctional magnetic nanoparticles encapsulated into a thermoresponsive polymer shell allowed the simultaneous cancer therapy due to the thermo-triggered drug release and a heating for hyperthermia can be performed simultaneously under AC magnetic field. In our study, micelles made of amphiphilic block copolymer of poly(N-isopropylacrylamide-co-acrylamide)-block-poly(epsilon-caprolaction), P(NIPAAm-co-AAm)-b-PCL, were combined with iron oxide nanoparticles and doxorubicin anti-cancer drug which are self-assembled at the micelles hydrophobic interior. The feasibility of the synthesized magnetic micelles for the simultaneous therapy was demonstrated through drug release test at the hyperthermic temperature. C1 [Kim, Dong-Hyun; Bader, Samuel D.; Novosad, Valentyn] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Novosad, V (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM novosad@anl.gov RI Novosad, Valentyn/C-2018-2014; Novosad, V /J-4843-2015; OI Kim, Dong-Hyun/0000-0001-6815-3319 NR 13 TC 0 Z9 0 U1 1 U2 5 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4398-1783-4 PY 2009 BP 294 EP 297 PG 4 WC Biotechnology & Applied Microbiology; Engineering, Biomedical; Nanoscience & Nanotechnology SC Biotechnology & Applied Microbiology; Engineering; Science & Technology - Other Topics GA BMQ02 UT WOS:000273330500080 ER PT J AU Stan, G Ciobanu, CV Thayer, TP Wang, GT Creighton, JR Purushotham, KP Bendersky, LA Cook, RF AF Stan, G. Ciobanu, C. V. Thayer, T. P. Wang, G. T. Creighton, J. R. Purushotham, K. P. Bendersky, L. A. Cook, R. F. TI Elastic moduli of faceted aluminum nitride nanotubes measured by contact resonance atomic force microscopy SO NANOTECHNOLOGY LA English DT Article ID MULTIWALLED CARBON NANOTUBES; FIELD-EMISSION; NANOWIRES; ALN; STRENGTH AB A new methodology for determining the radial elastic modulus of a one-dimensional nanostructure laid on a substrate has been developed. The methodology consists of the combination of contact resonance atomic force microscopy (AFM) with finite element analysis, and we illustrate it for the case of faceted AlN nanotubes with triangular cross-sections. By making precision measurements of the resonance frequencies of the AFM cantilever-probe first in air and then in contact with the AlN nanotubes, we determine the contact stiffness at different locations on the nanotubes, i.e. on edges, inner surfaces, and outer facets. From the contact stiffness we have extracted the indentation modulus and found that this modulus depends strongly on the apex angle of the nanotube, varying from 250 to 400 GPa for indentation on the edges of the nanotubes investigated. C1 [Stan, G.; Cook, R. F.] NIST, Div Ceram, Gaithersburg, MD 20899 USA. [Ciobanu, C. V.; Thayer, T. P.] Colorado Sch Mines, Div Engn, Golden, CO 80401 USA. [Wang, G. T.; Creighton, J. R.] Sandia Natl Labs, Adv Mat Sci Dept, Albuquerque, NM 87185 USA. [Purushotham, K. P.] NIST, Div Precis Engn, Gaithersburg, MD 20899 USA. [Bendersky, L. A.] NIST, Div Met, Gaithersburg, MD 20899 USA. RP Stan, G (reprint author), NIST, Div Ceram, Gaithersburg, MD 20899 USA. EM gheorghe.stan@nist.gov; cciobanu@mines.edu RI Ciobanu, Cristian/B-3580-2009; Wang, George/C-9401-2009 OI Wang, George/0000-0001-9007-0173 FU DOE Office of Basic Energy Sciences; Sandia's Laboratory Directed Research and Development program; Sandia Corporation; Lockheed Martin Company; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94A185000] FX G T Wang acknowledges support from the DOE Office of Basic Energy Sciences and Sandia's Laboratory Directed Research and Development program. 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-AC04-94A185000. NR 36 TC 48 Z9 48 U1 3 U2 22 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 JAN PY 2009 VL 20 IS 3 AR 035706 DI 10.1088/0957-4484/20/3/035706 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA 385EF UT WOS:000261795500022 PM 19417308 ER PT J AU Bakajin, O Noy, A Fornasiero, F Grigoropoulos, CP Holt, JK In, JB Kim, S Park, HG AF Bakajin, Olgica Noy, Aleksandr Fornasiero, Francesco Grigoropoulos, Costas P. Holt, Jason K. In, Jung Bin Kim, Sangil Park, Hyung Gyu BE Savage, N Diallo, M Duncan, J Street, A Sustich, R TI Nanofluidic Carbon Nanotube Membranes: Applications for Water Purification and Desalination SO NANOTECHNOLOGY APPLICATIONS FOR CLEAN WATER SE Micro & Nano Technologies LA English DT Article; Book Chapter ID CHEMICAL-VAPOR-DEPOSITION; SCIENCE-AND-TECHNOLOGY; STATIC PROPERTIES; MASS-TRANSPORT; ION-TRANSPORT; NANOPORES; PERMEATION; FABRICATION; HELICITY; DIAMETER AB The unique geometry and internal structure of carbon nanotubes (CNTs) give rise to a newly discovered phenomena of the ultraefficient transport of water through these ultra-narrow molecular pipes. Water transport in nanometer-size nanotube pores is orders of magnitude faster than transport in other pores of comparable size. We discuss the basic physical principles of the ultraefficient transport in CNTs, the fabrication of CNT membranes, and their nanofiltration and ion exclusion properties. A rare combination of transport efficiency and selectivity makes CNT membranes a highly promising technological platform for the next-generation desalination and water purification technologies. We discuss the potential of these applications for improving water quality. C1 [Bakajin, Olgica; Noy, Aleksandr; Fornasiero, Francesco; Holt, Jason K.; In, Jung Bin; Kim, Sangil; Park, Hyung Gyu] Lawrence Livermore Natl Lab, Chem Mat Earth & Life Sci Directorate, Mol Biophys & Funct Nanostruct Grp, Livermore, CA 94550 USA. [Grigoropoulos, Costas P.; In, Jung Bin] Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. RP Bakajin, O (reprint author), Lawrence Livermore Natl Lab, Chem Mat Earth & Life Sci Directorate, Mol Biophys & Funct Nanostruct Grp, Livermore, CA 94550 USA. RI Park, Hyung Gyu/F-3056-2013 OI Park, Hyung Gyu/0000-0001-8121-2344 NR 50 TC 7 Z9 7 U1 2 U2 4 PU WILLIAM ANDREW INC PI NORWICH PA 13 EATON AVE, NORWICH, NY 13815 USA BN 978-0-8155-1973-7 J9 MICRO NANO TECHNOL PY 2009 BP 77 EP 93 PG 17 WC Engineering, Environmental; Nanoscience & Nanotechnology; Water Resources SC Engineering; Science & Technology - Other Topics; Water Resources GA BER89 UT WOS:000317909300010 ER PT J AU Lin, YH Choi, DW Wang, J Bontha, J AF Lin, Yuehe Choi, Daiwon Wang, Jun Bontha, Jagan BE Savage, N Diallo, M Duncan, J Street, A Sustich, R TI Nanomaterials-Enhanced Electrically Switched Ion Exchange Process for Water Treatment SO NANOTECHNOLOGY APPLICATIONS FOR CLEAN WATER SE Micro & Nano Technologies LA English DT Article; Book Chapter ID NICKEL HEXACYANOFERRATE NANOCOMPOSITES; HYBRID MATERIALS; REMOVAL; SEPARATIONS; NANOTUBES; CHROMIUM AB This chapter summarizes recent work on the development of an electrically switched ion exchange (ESIX) technology based on conducting polymer/carbon nanotube (CNT) nanocomposites as a new and cost-effective approach for the removal of radioactive cesium, chromate, and perchlorate from contaminated groundwater. The efficiency of these ESIX systems can be significantly improved through nanotechnology by providing better electrochemical stability and a larger contact area with wastewater. Therefore, the combination of novel electroactive ion exchange material with nanotechnology will lead to the development of more efficient and economic wastewater treatment systems based on ESIX technology. C1 [Lin, Yuehe; Choi, Daiwon; Wang, Jun; Bontha, Jagan] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Lin, YH (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. RI Lin, Yuehe/D-9762-2011 OI Lin, Yuehe/0000-0003-3791-7587 NR 11 TC 2 Z9 2 U1 0 U2 4 PU WILLIAM ANDREW INC PI NORWICH PA 13 EATON AVE, NORWICH, NY 13815 USA BN 978-0-8155-1973-7 J9 MICRO NANO TECHNOL PY 2009 BP 179 EP 189 DI 10.1016/B978-0-8155-1578-4.50023-8 PG 11 WC Engineering, Environmental; Nanoscience & Nanotechnology; Water Resources SC Engineering; Science & Technology - Other Topics; Water Resources GA BER89 UT WOS:000317909300018 ER PT J AU Wang, J Lin, YH AF Wang, Jun Lin, Yuehe BE Savage, N Diallo, M Duncan, J Street, A Sustich, R TI Nanomaterial-Based Biosensors for Detection of Pesticides and Explosives SO NANOTECHNOLOGY APPLICATIONS FOR CLEAN WATER SE Micro & Nano Technologies LA English DT Article; Book Chapter ID TIN OXIDE ELECTRODES; CARBON NANOTUBES; NERVE AGENTS; ENZYME ELECTRODE; GROUND-WATER; 2,4,6-TRINITROTOLUENE; DNA; ACETYLCHOLINESTERASE; ORGANOPHOSPHATE; MUTAGENICITY AB Nanomaterials have been increasingly used for the development of biosensors for environmental monitoring of toxic compounds because of their unique physical (optical, electric, mechanical) and chemical properties. In this chapter, we use carbon nanotubes (CNTs) and silica nanoparticles as examples to demonstrate the applications of nanomaterial-based biosensors in environmental monitoring of organophosphate (OP) pesticides and explosives. We have developed two types of CNT-based inhibition biosensors using both one-enzyme and binary-enzyme systems for sensitive detection of OPs: (1) an acetylcholine sterase(AChE)/choline oxidase (ChO) modified CNT/screen-printed electrode (SPE) as disposable sensor for on-site detection of OPs; (2) a layer-by-layer (LBL) assembling of multilayers of AChE on CNT for enhancing the sensitivity of the electrochemical biosensors. Furthermore, we have developed a competitive displacement biosensor for sensitive detection of explosive compounds based on the poly(guanine)-functionalized silica nanoparticles. These methods have demonstrated that the nanomaterial-based biosensors may have a great promise for on-site sensitive monitoring of environmental pollutants such as OP pesticides and TNT (2,4,6-trinitrotoluene) compounds. C1 [Wang, Jun; Lin, Yuehe] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Wang, J (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. RI Lin, Yuehe/D-9762-2011 OI Lin, Yuehe/0000-0003-3791-7587 NR 26 TC 0 Z9 0 U1 0 U2 4 PU WILLIAM ANDREW INC PI NORWICH PA 13 EATON AVE, NORWICH, NY 13815 USA BN 978-0-8155-1973-7 J9 MICRO NANO TECHNOL PY 2009 BP 377 EP 390 DI 10.1016/B978-0-8155-1578-4.50035-4 PG 14 WC Engineering, Environmental; Nanoscience & Nanotechnology; Water Resources SC Engineering; Science & Technology - Other Topics; Water Resources GA BER89 UT WOS:000317909300030 ER PT S AU Yang, JB Goenaga, G Call, A Liu, DJ AF Yang, Junbing Goenaga, Gabriel Call, Ann Liu, Di-Jia BE Bandaru, PR Grego, S Kinloch, I TI Polymer Electrolyte Membrane Fuel Cell with Vertically Aligned Carbon Nanotube Electrode SO NANOTUBES, NANOWIRES, NANOBELTS AND NANOCOILS - PROMISE, EXPECTATIONS AND STATUS SE Materials Research Society Symposium Proceedings LA English DT Proceedings Paper CT Symposium on Nanotubes, Nanowires, Nanobelts and Nanocoils held at the 2008 MRS Fall Meeting CY DEC 01-04, 2008 CL Boston, MA SP Mat Res Soc ID FILM; CATALYSTS; REDUCTION; OXYGEN AB Membrane electrode assemblies (MEA) using vertically aligned carbon nanotubes (ACNTs) as the electrocatalyst support for proton exchange membrane fuel cell (PEMFC) was developed through a multiple-step process, including chemical vapor deposition, catalyzing, fabricating MEA and packaging single cell. I-V polarization study demonstrated improved fuel utilization and higher power density in comparison with the conventional, ink based MEA. C1 [Yang, Junbing; Goenaga, Gabriel; Call, Ann; Liu, Di-Jia] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Yang, JB (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Yang, Junbing/E-4316-2010 NR 10 TC 0 Z9 0 U1 1 U2 5 PU MATERIALS RESEARCH SOCIETY PI WARRENDALE PA 506 KEYSTONE DRIVE, WARRENDALE, PA 15088-7563 USA SN 0272-9172 BN 978-1-60511-114-8 J9 MATER RES SOC SYMP P PY 2009 VL 1142 BP 215 EP 220 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA BLF59 UT WOS:000270071200030 ER PT J AU Kelly, D Kantor, PB Morse, EL Scholtz, J Sun, Y AF Kelly, D. Kantor, P. B. Morse, E. L. Scholtz, J. Sun, Y. TI Questionnaires for eliciting evaluation data from users of interactive question answering systems SO NATURAL LANGUAGE ENGINEERING LA English DT Article ID MODEL AB Evaluating interactive question answering (QA) systems with real users can be challenging because traditional evaluation measures based on the relevance of items returned are difficult to employ since relevance judgments can be unstable in multi-user evaluations. The work reported in this paper evaluates, in distinguishing among a set of interactive QA systems, the effectiveness of three questionnaires: a Cognitive Workload Questionnaire (NASA TLX), and Task and System Questionnaires customized to a specific interactive QA application. These Questionnaires were evaluated with four systems, seven analysts, and eight scenarios during a 2-week workshop. Overall, results demonstrate that all three Questionnaires are effective at distinguishing among systems, with the Task Questionnaire being the most sensitive. Results also provide initial support for the validity and reliability of the Questionnaires. C1 [Kelly, D.] Univ N Carolina, Chapel Hill, NC 27599 USA. [Kantor, P. B.] Rutgers State Univ, New Brunswick, NJ 08901 USA. [Morse, E. L.] Natl Inst Stand & Technol, Gaithersburg, MD 20899 USA. [Scholtz, J.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Sun, Y.] SUNY Buffalo, Buffalo, NY 14260 USA. RP Kelly, D (reprint author), Univ N Carolina, Chapel Hill, NC 27599 USA. EM dianek@email.unc.edu; kantor@scils.rutgers.edu; emile.morse@nist.gov; jean.scholtz@pnl.gov; sun3@buffalo.edu NR 28 TC 1 Z9 1 U1 0 U2 1 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA EDINBURGH BLDG, SHAFTESBURY RD, CB2 8RU CAMBRIDGE, ENGLAND SN 1351-3249 J9 NAT LANG ENG JI Nat. Lang. Eng. PD JAN PY 2009 VL 15 BP 119 EP 141 DI 10.1017/S1351324908004932 PN 1 PG 23 WC Computer Science, Artificial Intelligence; Linguistics; Language & Linguistics SC Computer Science; Linguistics GA 604JA UT WOS:000278274100007 ER PT J AU Ma, D Stoica, AD Wang, XL AF Ma, D. Stoica, A. D. Wang, X. -L. TI Power-law scaling and fractal nature of medium-range order in metallic glasses SO NATURE MATERIALS LA English DT Article ID NEUTRON-SCATTERING; STRUCTURAL MODEL; QUASI-CRYSTALS; DYNAMICS; PACKING; STABILITY AB The atomic structure of metallic glasses has been a long-standing scientific problem. Unlike crystalline metals, where long-range ordering is established by periodic stacking of fundamental building blocks known as unit cells, a metallic glass has no long-range translational or orientational order, although some degrees of short- and medium-range order do exist(1-3). Previous studies(1-4) have identified solute- (minority atom)-centred clusters as the fundamental building blocks or short- range order in metallic glasses. Idealized cluster packing schemes, such as efficient cluster packing on a cubic lattice(1) and icosahedral packing(3) as in a quasicrystal, have been proposed and provided first insights on the medium-range order in metallic glasses. However, these packing schemes break down beyond a length scale of a few clusters. Here, on the basis of neutron and X-ray diffraction experiments, we propose a new packing scheme - self-similar packing of atomic clusters. We show that the medium-range order has the characteristics of a fractal network with a dimension of 2.31, and is described by a power-law correlation function over the medium-range length scale. Our finding provides a new perspective of order in disordered materials and has broad implications for understanding their structure-property relationship, particularly those involving a change in length scales. C1 [Ma, D.; Stoica, A. D.; Wang, X. -L.] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. RP Ma, D (reprint author), Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. EM wangxl@ornl.gov RI Wang, Xun-Li/C-9636-2010; Ma, Dong/G-5198-2011; Stoica, Alexandru/K-3614-2013 OI Wang, Xun-Li/0000-0003-4060-8777; Ma, Dong/0000-0003-3154-2454; Stoica, Alexandru/0000-0001-5118-0134 FU US Department of Energy, Office of Basic Energy Sciences [DE-AC05-00OR22725] FX We thank Z. P. Lu and M. J. Kramer for providing the metallic-glass samples, H. Bei for help in density measurements and S. E. Nagler for helpful discussions. This research was supported by US Department of Energy, Office of Basic Energy Sciences, under Contract DE-AC05-00OR22725 with UT-Battelle, LLC. NR 38 TC 174 Z9 178 U1 18 U2 121 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1476-1122 EI 1476-4660 J9 NAT MATER JI Nat. Mater. PD JAN PY 2009 VL 8 IS 1 BP 30 EP 34 DI 10.1038/NMAT2340 PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA 386FC UT WOS:000261866700015 PM 19060888 ER PT J AU Bussian, DA Crooker, SA Yin, M Brynda, M Efros, AL Klimov, VI AF Bussian, David A. Crooker, Scott A. Yin, Ming Brynda, Marcin Efros, Alexander L. Klimov, Victor I. TI Tunable magnetic exchange interactions in manganese-doped inverted core-shell ZnSe-CdSe nanocrystals SO NATURE MATERIALS LA English DT Article ID QUANTUM DOTS; SEMIMAGNETIC SEMICONDUCTORS; OPTICAL-PROPERTIES; SPECTROSCOPY; PARAMETERS; REDUCTION; IONS AB Magnetic doping of semiconductor nanostructures is actively pursued for applications in magnetic memory and spin-based electronics(1,2). Central to these efforts is a drive to control the interaction strength between carriers (electrons and holes) and the embedded magnetic atoms(3-5). In this respect, colloidal nanocrystal heterostructures provide great flexibility through growth-controlled 'engineering' of electron and hole wavefunctions in individual nanocrystals(6,7). Here, we demonstrate a widely tunable magnetic sp-d exchange interaction between electron-hole excitations (excitons) and paramagnetic manganese ions using 'inverted' core-shell nanocrystals composed of Mn(2+)-doped ZnSe cores overcoated with undoped shells of narrower-gap CdSe. Magnetic circular dichroism studies reveal giant Zeeman spin splittings of the band-edge exciton that, surprisingly, are tunable in both magnitude and sign. Effective exciton g-factors are controllably tuned from 200 to C 30 solely by increasing the CdSe shell thickness, demonstrating that strong quantum confinement and wavefunction engineering in heterostructured nanocrystal materials can be used to manipulate carrier-Mn(2+) wavefunction overlap and the sp-d exchange parameters themselves. C1 [Bussian, David A.; Yin, Ming; Klimov, Victor I.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. [Bussian, David A.; Klimov, Victor I.] Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Crooker, Scott A.] Natl High Magnet Field Lab, Los Alamos, NM 87545 USA. [Brynda, Marcin] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. [Efros, Alexander L.] USN, Res Lab, Washington, DC 20375 USA. RP Bussian, DA (reprint author), Los Alamos Natl Lab, Div Chem, POB 1663, Los Alamos, NM 87545 USA. EM crooker@lanl.gov; klimov@lanl.gov OI Klimov, Victor/0000-0003-1158-3179 FU Los Alamos LDRD; Chemical Sciences, Biosciences, and Geosciences Division of the Office of Basic Energy Sciences, Office of Science; US Department of Energy (DOE); DOE Center for Integrated Nanotechnologies jointly operated by Los Alamos and Sandia National Laboratories; ONR FX We thank B. Prall for technical assistance. This work was supported by Los Alamos LDRD Funds and the Chemical Sciences, Biosciences, and Geosciences Division of the Office of Basic Energy Sciences, Office of Science, US Department of Energy (DOE). D. A. B. and V. I. K. are partially supported by the DOE Center for Integrated Nanotechnologies jointly operated by Los Alamos and Sandia National Laboratories. A. L. E. acknowledges financial support from ONR. NR 29 TC 124 Z9 124 U1 14 U2 99 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1476-1122 J9 NAT MATER JI Nat. Mater. PD JAN PY 2009 VL 8 IS 1 BP 35 EP 40 DI 10.1038/NMAT2342 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA 386FC UT WOS:000261866700016 PM 19079242 ER PT J AU Biener, J Wittstock, A Zepeda-Ruiz, LA Biener, MM Zielasek, V Kramer, D Viswanath, RN Weissmuller, J Baumer, M Hamza, AV AF Biener, J. Wittstock, A. Zepeda-Ruiz, L. A. Biener, M. M. Zielasek, V. Kramer, D. Viswanath, R. N. Weissmueller, J. Baeumer, M. Hamza, A. V. TI Surface-chemistry-driven actuation in nanoporous gold SO NATURE MATERIALS LA English DT Article ID ARTIFICIAL MUSCLES; STRESS; ADSORBATE; ADSORPTION; PLATINUM; EQUATION; AU(111); SOLIDS; FOAMS; METAL AB Although actuation in biological systems is exclusively powered by chemical energy, this concept has not been realized in man-made actuator technologies, as these rely on generating heat or electricity first(1). Here, we demonstrate that surface-chemistry-driven actuation can be realized in high-surface-area materials such as nanoporous gold. For example, we achieve reversible strain amplitudes of the order of a few tenths of a per cent by alternating exposure of nanoporous Au to ozone and carbon monoxide. The effect can be explained by adsorbate-induced changes of the surface stress(2), and can be used to convert chemical energy directly into a mechanical response, thus opening the door to surface-chemistry-driven actuator and sensor technologies. C1 [Biener, J.; Wittstock, A.; Zepeda-Ruiz, L. A.; Biener, M. M.; Hamza, A. V.] Lawrence Livermore Natl Lab, Nanoscale Synth & Characterizat Lab, Livermore, CA 94550 USA. [Wittstock, A.; Zielasek, V.; Baeumer, M.] Inst Angew & Phys Chem, D-28359 Bremen, Germany. [Kramer, D.; Viswanath, R. N.; Weissmueller, J.] Forschungszentrum Karlsruhe, Inst Nanotechnol, D-76021 Karlsruhe, Germany. RP Biener, J (reprint author), Lawrence Livermore Natl Lab, Nanoscale Synth & Characterizat Lab, Livermore, CA 94550 USA. EM biener2@llnl.gov RI Weissmuller, Jorg/C-3967-2009; Baumer, Marcus/S-5441-2016; OI Weissmuller, Jorg/0000-0002-8958-4414; Baumer, Marcus/0000-0002-8620-1764; Kramer, Dominik/0000-0002-9761-0627 FU US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX Part of this work was carried out under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. The authors want to express special thanks to F. F. Abraham (LLNL) and M. Duchaineau (LLNL) for generating the nanoporous Au samples for the molecular dynamics simulations. NR 27 TC 230 Z9 232 U1 21 U2 177 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1476-1122 J9 NAT MATER JI Nat. Mater. PD JAN PY 2009 VL 8 IS 1 BP 47 EP 51 DI 10.1038/NMAT2335 PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA 386FC UT WOS:000261866700018 PM 19043420 ER PT J AU Wade, A Fedorov, G Smirnov, D Kumar, S Williams, BS Hu, Q Reno, JL AF Wade, A. Fedorov, G. Smirnov, D. Kumar, S. Williams, B. S. Hu, Q. Reno, J. L. TI Magnetic-field-assisted terahertz quantum cascade laser operating up to 225 K SO NATURE PHOTONICS LA English DT Article ID EMISSION; TRANSITIONS; SUPPRESSION AB Advances in semiconductor bandgap engineering have resulted in the recent development of the terahertz quantum cascade laser(1). These compact optoelectronic devices now operate in the frequency range 1.2-5 THz, although cryogenic cooling is still required(2,3). Further progress towards the realization of devices operating at higher temperatures and emitting at longer wavelengths (sub-terahertz quantum cascade lasers) is difficult because it requires maintaining a population inversion between closely spaced electronic sub-bands (1 THz approximate to 4meV). Here, we demonstrate a magnetic-field-assisted quantum cascade laser based on the resonant-phonon design. By applying appropriate electrical bias and strong magnetic fields above 16 T, it is possible to achieve laser emission from a single device over a wide range of frequencies (0.68-3.33 THz). Owing to the suppression of inter-Landau-level non-radiative scattering, the device shows magnetic field assisted laser action at 1 THz at temperatures up to 215 K, and 3 THz lasing up to 225 K. C1 [Wade, A.; Fedorov, G.; Smirnov, D.] Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. [Kumar, S.; Williams, B. S.; Hu, Q.] MIT, Dept Elect Engn & Comp Sci, Cambridge, MA 02139 USA. [Kumar, S.; Williams, B. S.; Hu, Q.] MIT, Elect Res Lab, Cambridge, MA 02139 USA. [Williams, B. S.] Univ Calif Los Angeles, Dept Elect Engn, Los Angeles, CA 90095 USA. [Williams, B. S.] Univ Calif Los Angeles, Calif Nanosyst Inst, Los Angeles, CA 90095 USA. [Reno, J. L.] Sandia Natl Labs, Dept 1123, Albuquerque, NM 87185 USA. RP Smirnov, D (reprint author), Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. EM smirnov@magnet.fsu.edu RI Williams, Benjamin/B-4494-2013; OI Williams, Benjamin/0000-0002-6241-8336; Fedorov, Georgy/0000-0002-5224-0474 FU National Science Foundation [DMR-0084173]; State of Florida; Department of Energy [DE-AC04-94AL85000]; Air Force Office of Scientific Research; National Aeronautics and Space Administration; National Science Foundation FX The measurements were performed at the National High Magnetic Field Laboratory supported by the National Science Foundation Cooperative Agreement No. DMR-0084173, by the State of Florida, and by the Department of Energy. The work at Massachusetts Institute of Technology is supported by Air Force Office of Scientific Research, National Aeronautics and Space Administration, and National Science Foundation. 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 28 TC 79 Z9 80 U1 2 U2 20 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1749-4885 J9 NAT PHOTONICS JI Nat. Photonics PD JAN PY 2009 VL 3 IS 1 BP 41 EP 45 DI 10.1038/NPHOTON.2008.251 PG 5 WC Optics; Physics, Applied SC Optics; Physics GA 393SZ UT WOS:000262394500016 ER PT J AU Billinge, SJL AF Billinge, Simon J. L. TI How do your crystals grow? SO NATURE PHYSICS LA English DT News Item C1 [Billinge, Simon J. L.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. [Billinge, Simon J. L.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Billinge, SJL (reprint author), Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. EM sb2896@columbia.edu NR 7 TC 7 Z9 7 U1 1 U2 8 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1745-2473 J9 NAT PHYS JI Nat. Phys. PD JAN PY 2009 VL 5 IS 1 BP 13 EP 14 DI 10.1038/nphys1172 PG 3 WC Physics, Multidisciplinary SC Physics GA 397CF UT WOS:000262638900007 ER PT J AU Reichhardt, C AF Reichhardt, Charles TI Vortices wiggled and dragged SO NATURE PHYSICS LA English DT News Item C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Reichhardt, C (reprint author), Los Alamos Natl Lab, T-13,MS B213, Los Alamos, NM 87545 USA. EM charlesr@cnls.lanl.gov NR 8 TC 8 Z9 8 U1 2 U2 8 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1745-2473 J9 NAT PHYS JI Nat. Phys. PD JAN PY 2009 VL 5 IS 1 BP 15 EP 16 DI 10.1038/nphys1169 PG 2 WC Physics, Multidisciplinary SC Physics GA 397CF UT WOS:000262638900008 ER PT J AU Weiszmann, R Hammonds, AS Celniker, SE AF Weiszmann, Richard Hammonds, Ann S. Celniker, Susan E. TI Determination of gene expression patterns using high-throughput RNA in situ hybridization to whole-mount Drosophila embryos SO NATURE PROTOCOLS LA English DT Article ID COMPLEMENTARY-DNA; TISSUE-SECTIONS; GLOBAL ANALYSIS; MESSENGER-RNA; TRANSCRIPTS; LOCALIZATION; REVEALS; EMBRYOGENESIS; HUNCHBACK; EYE AB We describe a high-throughput protocol for RNA in situ hybridization (ISH) to Drosophila embryos in a 96-well format. cDNA or genomic DNA templates are amplified by PCR and then digoxigenin-labeled ribonucleotides are incorporated into antisense RNA probes by in vitro transcription. The quality of each probe is evaluated before ISH using a RNA probe quantification (dot blot) assay. RNA probes are hybridized to fixed, mixed-staged Drosophila embryos in 96-well plates. The resulting stained embryos can be examined and photographed immediately or stored at 4 degrees C for later analysis. Starting with fixed, staged embryos, the protocol takes 6 d from probe template production through hybridization. Preparation of fixed embryos requires a minimum of 2 weeks to collect embryos representing all stages. The method has been used to determine the expression patterns of over 6,000 genes throughout embryogenesis. C1 [Weiszmann, Richard; Hammonds, Ann S.; Celniker, Susan E.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley Drosophila Genome Project, Div Life Sci, Berkeley, CA 94720 USA. RP Hammonds, AS (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley Drosophila Genome Project, Div Life Sci, Berkeley, CA 94720 USA. EM ann@fruitfly.org FU NIH [R01 GM076655]; US Department of Energy [DE-AC0205CH11231] FX We thank current and former members of the BDGP, especially Amy Beaton, Joe Carlson, Erwin Frise, Elaine Kwan, Todd Laverty, Barret Pfeiffer, Stephen Richards, Mark Stapleton, Pavel Tomancak and Gerry Rubin for their contributions to these protocols as part of the systematic determination of patterns of gene expression in the Drosophila embryogenesis project. We thank Ken Wan for critical comments on the manuscript. This work was supported by the NIH Grant R01 GM076655 (SEC) through the US Department of Energy under contract no. DE-AC0205CH11231. NR 24 TC 18 Z9 18 U1 0 U2 3 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1754-2189 J9 NAT PROTOC JI Nat. Protoc. PY 2009 VL 4 IS 5 BP 605 EP 618 DI 10.1038/nprot.2009.55 PG 14 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 452ND UT WOS:000266546100001 PM 19360017 ER PT J AU Durinck, S Spellman, PT Birney, E Huber, W AF Durinck, Steffen Spellman, Paul T. Birney, Ewan Huber, Wolfgang TI Mapping identifiers for the integration of genomic datasets with the R/Bioconductor package biomaRt SO NATURE PROTOCOLS LA English DT Article ID BIOCONDUCTOR; DATABASE AB Genomic experiments produce multiple views of biological systems, among them are DNA sequence and copy number variation, and mRNA and protein abundance. Understanding these systems needs integrated bioinformatic analysis. Public databases such as Ensembl provide relationships and mappings between the relevant sets of probe and target molecules. However, the relationships can be biologically complex and the content of the databases is dynamic. We demonstrate how to use the computational environment R to integrate and jointly analyze experimental datasets, employing BioMart web services to provide the molecule mappings. We also discuss typical problems that are encountered in making gene-to-transcript-to-protein mappings. The approach provides a flexible, programmable and reproducible basis for state-of-the-art bioinformatic data integration. C1 [Durinck, Steffen; Spellman, Paul T.] Lawrence Berkeley Natl Lab, Berkeley, CA USA. [Birney, Ewan; Huber, Wolfgang] European Bioinformat Inst, Cambridge, England. RP Durinck, S (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA USA. EM steffen@stat.berkeley.edu OI Huber, Wolfgang/0000-0002-0474-2218; Birney, Ewan/0000-0001-8314-8497 FU NCI NIH HHS [U24 CA126551, U24 CA126551-01] NR 16 TC 178 Z9 178 U1 0 U2 8 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1754-2189 EI 1750-2799 J9 NAT PROTOC JI Nat. Protoc. PY 2009 VL 4 IS 8 BP 1184 EP 1191 DI 10.1038/nprot.2009.97 PG 8 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 482BO UT WOS:000268858800008 PM 19617889 ER PT J AU Debacq-Chainiaux, F Erusalimsky, JD Campisi, J Toussaint, O AF Debacq-Chainiaux, Florence Erusalimsky, Jorge D. Campisi, Judith Toussaint, Olivier TI Protocols to detect senescence-associated beta-galactosidase (SA-beta gal) activity, a biomarker of senescent cells in culture and in vivo SO NATURE PROTOCOLS LA English DT Article ID HUMAN-DIPLOID FIBROBLASTS; SMOOTH-MUSCLE-CELLS; CELLULAR SENESCENCE; REPLICATIVE SENESCENCE; PREMATURE SENESCENCE; OXIDATIVE STRESS; ENDOTHELIAL-CELLS; HYDROGEN-PEROXIDE; TRIGGERS; MUTATION AB Normal cells can permanently lose the ability to proliferate when challenged by potentially oncogenic stress, a process termed cellular senescence. Senescence-associated beta-galactosidase (SASA-beta gal) activity, detectable at pH 6.0, permits the identification of senescent cells in culture and mammalian tissues. Here we describe first a cytochemical protocol suitable for the histochemical detection of individual senescent cells both in culture and tissue biopsies. The second method is based on the alkalinization of lysosomes, followed by the use of 5-dodecanoylaminofluorescein di-beta-D-galactopyranoside (C(12)FDG), a fluorogenic substrate for beta gal activity. The cytochemical method takes about 30 min to execute, and several hours to a day to develop and score. The fluorescence methods take between 4 and 8 h to execute and can be scored in a single day. The cytochemical method is applicable to tissue sections and requires simple reagents and equipment. The fluorescence-based methods have the advantages of being more quantitative and sensitive. C1 [Debacq-Chainiaux, Florence; Toussaint, Olivier] Univ Namur, Dept Biol, Fac Sci, Res Unit Cellular Biol URBC,FUNDP, Namur, Belgium. [Erusalimsky, Jorge D.] Univ Wales Inst, Cardiff Sch Hlth Sci, Ctr Biomed Res, Cardiff UWIC, Cardiff, S Glam, Wales. [Campisi, Judith] Buck Inst Age Res, Novato, CA USA. [Campisi, Judith] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Toussaint, O (reprint author), Univ Namur, Dept Biol, Fac Sci, Res Unit Cellular Biol URBC,FUNDP, Namur, Belgium. EM olivier.toussaint@fundp.ac.be FU European Commission [LSHM-CT-2005-518230]; GeHA [LSHM-CT-2004-503270, LSHM-CT-2005-513866, HEALTH-F4-2008-200970]; Marie Curie Matiss Project [MTKI-CT-2006042768]; US National Institutes of Health [AG09909, AG017242, CA0126540, AG032117, AG025708]; British Heart Foundation FX O. T. and F. D.-C. are respectively Senior Research Associate and Research Associate of the FNRS, Belgium. We acknowledge the Region Wallonne for the First-DEI 'Cosmet-X' project, the Network II Senegene project and the Pole of Excellence Nanotoxico project. We thank the European Commission for the Integrated Projects Proteomage (LSHM-CT-2005-518230) and GeHA (LSHM-CT-2004-503270); for the Coordination & Support Actions Link-Age and WhyWeAge (LSHM-CT-2005-513866, HEALTH-F4-2008-200970); and the Marie Curie Matiss Project (MTKI-CT-2006042768). Also supported by grants from the US National Institutes of Health (AG09909, AG017242, CA0126540, AG032117 and AG025708) and the British Heart Foundation. NR 35 TC 321 Z9 327 U1 7 U2 56 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1754-2189 J9 NAT PROTOC JI Nat. Protoc. PY 2009 VL 4 IS 12 BP 1798 EP 1806 DI 10.1038/nprot.2009.191 PG 9 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 551RG UT WOS:000274226100009 PM 20010931 ER PT S AU Keller, R Tarvainen, O Chacon-Golcher, E Geros, EG Johnson, KF Rouleau, G Stelzer, JE Zaugg, TJ AF Keller, R. Tarvainen, O. Chacon-Golcher, E. Geros, E. G. Johnson, K. F. Rouleau, G. Stelzer, J. E. Zaugg, T. J. BE Surrey, E Simonin, A TI H(-) Ion Source Development for the LANSCE Accelerator Systems SO NEGATIVE IONS, BEAMS AND SOURCES SE AIP Conference Proceedings LA English DT Proceedings Paper CT 1st International Symposium on Negative Ions, Beams and Sources CY SEP 09-12, 2008 CL Aix en Provence, FRANCE SP Assoc EURATON-CEA, Aix Reg Community DE Negative Hydrogen Ion Source; Multi-cusp; Filament; Converter; Elevated Temperature; Cesium Oven; Helicon discharge ID HYDROGEN; TUNGSTEN AB Employment of H(-) ion sources for the LANSCE accelerator systems goes back about 20 years, to the construction of the Proton Storage Ring (PSR). The standard ion source consists of a filament driven multi-cusp discharge vessel with a biased converter electrode for negative-ion production and an 80-kV extraction system feeding into a 670-kV electrostatic pre-accelerator. The source typically delivers 18 mA pulsed beam current into the pre-accelerator column and reaches up to 35 days between services at 60 Hz pulse repetition rate. Recent development efforts with this source have been dedicated to improved filament material, improved cesium oven geometry and operating the source at elevated temperature!;. A second line of development focuses on filament-less devices driven by a helicon discharge. Performance data obtained with the standard source as well as key results for the helicon experiments are given in this paper; the helicon work is discussed in a separate paper in much greater detail. C1 [Keller, R.; Tarvainen, O.; Chacon-Golcher, E.; Geros, E. G.; Johnson, K. F.; Rouleau, G.; Stelzer, J. E.; Zaugg, T. J.] Los Alamos Natl Lab, AOT Div, Los Alamos, NM 87545 USA. RP Keller, R (reprint author), Los Alamos Natl Lab, AOT Div, POB 1663,MS H817, Los Alamos, NM 87545 USA. NR 17 TC 8 Z9 8 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0630-8 J9 AIP CONF PROC PY 2009 VL 1097 BP 161 EP 170 PG 10 WC Physics, Applied SC Physics GA BJE33 UT WOS:000265135700018 ER PT S AU Welton, RF Stockli, MP Murray, SN Crisp, D Carmichael, J Goulding, RH Han, B Tarvainen, O Pennisi, T Santana, M AF Welton, R. F. Stockli, M. P. Murray, S. N. Crisp, D. Carmichael, J. Goulding, R. H. Han, B. Tarvainen, O. Pennisi, T. Santana, M. BE Surrey, E Simonin, A TI Next Generation H- Ion Sources for the SNS SO NEGATIVE IONS, BEAMS AND SOURCES SE AIP Conference Proceedings LA English DT Proceedings Paper CT 1st International Symposium on Negative Ions, Beams and Sources CY SEP 09-12, 2008 CL Aix en Provence, FRANCE SP Assoc EURATON-CEA, Aix Reg Community DE negative ion sources; particle accelerators; ion formation ID SPALLATION NEUTRON SOURCE AB The U.S. Spallation Neutron Source (SNS) is the leading accelerator-based, pulsed neutron-scattering facility, currently in the process of ramping up neutron production. In order to insure meeting operational requirements as well as providing for future facility beam power upgrades, a multifaceted H- ion source development program is ongoing. This work discusses several aspects of this program, specifically the design and first beam measurements of an RF-driven, external antenna H- ion source based on an AlN ceramic plasma chamber, elemental and chromate Cs-systems, and plasma ignition gun. Unanalyzed beam currents of up to similar to 100 mA (60Hz, 1ms) have been observed and sustained currents > 60 mA (60Hz, 1ms) have been demonstrated on the test stand. Accelerated beam currents of similar to 40 MA have also been demonstrated into the SNS front end. Data are also presented describing the first H- beam extraction experiments from a helicon plasma generator based on the Variable Specific Impulse Magnetoplasma Rocket (VASIMR) engine design. C1 [Welton, R. F.; Stockli, M. P.; Murray, S. N.; Crisp, D.; Carmichael, J.; Goulding, R. H.; Han, B.; Pennisi, T.; Santana, M.] Oak Ridge Natl Lab, Spallat Neutron Source, POB 2008, Oak Ridge, TN 37830 USA. [Tarvainen, O.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Welton, RF (reprint author), Oak Ridge Natl Lab, Spallat Neutron Source, POB 2008, Oak Ridge, TN 37830 USA. RI Goulding, Richard/C-5982-2016 OI Goulding, Richard/0000-0002-1776-7983 FU Oak Ridge National laboratory; UT-Battelle; LLC [DE-AC05-00OR2275]; US Department of Energy FX The work at Oak Ridge National laboratory, which is managed by UT-Battelle, LLC, was performed under contract DE-AC05-00OR2275 for the US Department of Energy. NR 18 TC 9 Z9 9 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0630-8 J9 AIP CONF PROC PY 2009 VL 1097 BP 181 EP + PG 2 WC Physics, Applied SC Physics GA BJE33 UT WOS:000265135700020 ER PT S AU Tarvainen, O Kurennoy, S AF Tarvainen, O. Kurennoy, S. BE Surrey, E Simonin, A TI A Proposal for a Novel H(-) Ion Source Based on Electron Cyclotron Resonance Plasma Heating and Surface Ionization SO NEGATIVE IONS, BEAMS AND SOURCES SE AIP Conference Proceedings LA English DT Proceedings Paper CT 1st International Symposium on Negative Ions, Beams and Sources CY SEP 09-12, 2008 CL Aix en Provence, FRANCE SP Assoc EURATON-CEA, Aix Reg Community DE Negative Ion Source; Electron Cyclotron Resonance Plasma Heating AB A design for a novel H(-) ion source based on electron cyclotron resonance plasma heating and surface ionization is presented. The plasma chamber of the source is an rf-cavity designed for TE(111) eigenmode at 2.45 GHz. The desired mode is excited with a loop antenna. The ionization process takes place on a cesiated surface of a biased converter electrode. The H(-) on beam is further "self-extracted" through the plasma region. The magnetic field of the source is optimized for plasma generation by electron cyclotron resonance heating, and beam extraction. The design features of the source are discussed in detail and the attainable H- ion current, beam emittance and duty factor of the novel source are estimated. C1 [Tarvainen, O.; Kurennoy, S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Tarvainen, O (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. OI Kurennoy, Sergey/0000-0003-2854-9647 NR 10 TC 0 Z9 0 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0630-8 J9 AIP CONF PROC PY 2009 VL 1097 BP 191 EP 198 PG 8 WC Physics, Applied SC Physics GA BJE33 UT WOS:000265135700021 ER PT S AU Tarvainen, O Geros, EG Keller, R Rouleau, G Zaugg, T AF Tarvainen, O. Geros, E. G. Keller, R. Rouleau, G. Zaugg, T. BE Surrey, E Simonin, A TI First Results with a Surface Conversion H(-) Ion Source Based on Helicon Wave Mode-Driven Plasma Discharge SO NEGATIVE IONS, BEAMS AND SOURCES SE AIP Conference Proceedings LA English DT Proceedings Paper CT 1st International Symposium on Negative Ions, Beams and Sources CY SEP 09-12, 2008 CL Aix en Provence, FRANCE SP Assoc EURATON-CEA, Aix Reg Community DE Negative ion source; Helicon plasma discharge AB The currently employed converter-type negative ion source at Los Alamos Neutron Science Center (LANSCE) is based on cesium enhanced surface production of H(-) ion beams in a filament-driven discharge. The extracted H(-) beam current is limited by the achievable plasma density, which depends primarily on the electron emission current from the filaments. The emission current can be increased by increasing the filament temperature but, unfortunately, this leads not only to shorter filament lifetime but also to an increase in metal evaporation from the filament, which degrades the performance of the H(-) conversion surface. In order to overcome these limitations we have designed and tested a prototype of a surface conversion H(-) ion source, based on excitation of helicon plasma wave mode with an external antenna. The source has been operated with and without cesium injection. An H(-) beam current of over 12 mA has been transported through the low energy beam transport of the LANSCE ion source test stand. The results of these experiments and the effects of different source parameters on the extracted beam current are presented. The limitations of the source prototype are discussed and future improvements are proposed based on the experimental observations. C1 [Tarvainen, O.; Geros, E. G.; Keller, R.; Rouleau, G.; Zaugg, T.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Tarvainen, O (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 13 TC 1 Z9 1 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0630-8 J9 AIP CONF PROC PY 2009 VL 1097 BP 199 EP 207 PG 9 WC Physics, Applied SC Physics GA BJE33 UT WOS:000265135700022 ER PT S AU Stockli, MP Han, BX Murray, SN Newland, D Pennisi, TR Santana, M Welton, RF AF Stockli, Martin P. Han, B. X. Murray, S. N. Newland, D. Pennisi, T. R. Santana, M. Welton, R. F. BE Surrey, E Simonin, A TI Ramping Up the SNS Beam Power with the LBNL Baseline H(-) Source SO NEGATIVE IONS, BEAMS AND SOURCES SE AIP Conference Proceedings LA English DT Proceedings Paper CT 1st International Symposium on Negative Ions, Beams and Sources CY SEP 09-12, 2008 CL Aix en Provence, FRANCE SP Assoc EURATON-CEA, Aix Reg Community DE H(-) source; RF ion source; multicusp ion source; Cesium; low-energy beam transport ID ION-SOURCE AB LBNL designed and built the Frontend for the Spallation Neutron Source, including its H(-) source and Low-Energy Beam Transport (LEBT). This paper discusses the performance of the H(-) source and LEBT during the commissioning of the accelerator, as well as their performance while ramping up the SNS beam power to 540 kW. Detailed discussions of major shortcomings and their mitigations are presented to illustrate the effort needed to take even a well-designed R&D ion source into operation. With these modifications, at 4% duty factor the LBNL H(-) source meets the essential requirements that were set at the beginning of the project. C1 [Stockli, Martin P.; Han, B. X.; Murray, S. N.; Newland, D.; Pennisi, T. R.; Santana, M.; Welton, R. F.] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA. RP Stockli, MP (reprint author), Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA. NR 16 TC 13 Z9 13 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0630-8 J9 AIP CONF PROC PY 2009 VL 1097 BP 223 EP 235 PG 13 WC Physics, Applied SC Physics GA BJE33 UT WOS:000265135700025 ER PT S AU Grisham, LR AF Grisham, L. R. BE Surrey, E Simonin, A TI Lithium Jet Neutralizer to Improve Negative Ion Neutral Beam Performance SO NEGATIVE IONS, BEAMS AND SOURCES SE AIP Conference Proceedings LA English DT Proceedings Paper CT 1st International Symposium on Negative Ions, Beams and Sources CY SEP 09-12, 2008 CL Aix en Provence, FRANCE SP Assoc EURATON-CEA, Aix Reg Community DE Neutral beams; negative ions; neutralizer; supersonic lithium jet ID INJECTION SYSTEM; OPERATION; JT-60U AB Fusion neutral beam systems have conventionally used gas cells of the beam isotope as neutralizers. In the design of negative ion beam systems for ITER, and likely also for future reactors, the large gas efflux arising from these cells can lead to many problems. We discuss the possibility of decreasing the gas load by using a lithium jet neutralizer, which would also afford higher neutralization efficiency. C1 Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Grisham, LR (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. NR 20 TC 1 Z9 1 U1 1 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0630-8 J9 AIP CONF PROC PY 2009 VL 1097 BP 364 EP 373 PG 10 WC Physics, Applied SC Physics GA BJE33 UT WOS:000265135700040 ER PT S AU Han, BX Stockli, MP AF Han, B. X. Stockli, M. P. BE Surrey, E Simonin, A TI Model of a SNS Electrostatic LEBT with a Near-Ground Beam Chopper SO NEGATIVE IONS, BEAMS AND SOURCES SE AIP Conference Proceedings LA English DT Proceedings Paper CT 1st International Symposium on Negative Ions, Beams and Sources CY SEP 09-12, 2008 CL Aix en Provence, FRANCE SP Assoc EURATON-CEA, Aix Reg Community DE H(-) Ion Source; Electrostatic LEBT; Ion Optics; Beam Chopper AB The low energy beam transport (LEBT) of the Spallation Neutron Source (SNS) accelerator consists of two electrostatic lenses, of which the second is split into four electrically-isolated segments. Adding fast pulsed voltages to the lens high voltage creates the transverse fields required for beam chopping. Electric sparks, however, create transients that enter the fast high-voltage switches, which are occasionally damaged and cause machine downtime. This work models a new configuration of the electrostatic LEBT, which chops the beam with four shielded, near-ground electrodes between the two lenses. The model shows that the new configuration can match the RFQ injection requirements and sufficiently deflect the beam in the phase-space using the same chopping voltages as in the baseline LEBT. C1 [Han, B. X.; Stockli, M. P.] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA. RP Han, BX (reprint author), Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA. NR 7 TC 2 Z9 2 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0630-8 J9 AIP CONF PROC PY 2009 VL 1097 BP 395 EP 401 PG 7 WC Physics, Applied SC Physics GA BJE33 UT WOS:000265135700043 ER PT S AU Kamada, M Hanada, M Ikeda, Y Grisham, LR AF Kamada, Masaki Hanada, Masaya Ikeda, Yoshitaka Grisham, Larry R. BE Surrey, E Simonin, A TI Steering of Multiple Beamlets in the JT-60U Negative Ion Source SO NEGATIVE IONS, BEAMS AND SOURCES SE AIP Conference Proceedings LA English DT Proceedings Paper CT 1st International Symposium on Negative Ions, Beams and Sources CY SEP 09-12, 2008 CL Aix en Provence, FRANCE SP Assoc EURATON-CEA, Aix Reg Community DE Negative ion source; multi-aperture grid; beam steering; field-shaping plate ID NBI SYSTEM; OPERATION AB The direct interception of D- ion beam by the acceleration grid was reduced by modifying field shaping plates (FSPs) in JT-60 negative ion sources to inject powerful neutral beams for long pulse duration of > 10 s. The modified FSPs are designed by a 31) simulation code to properly steer the outermost beamlets that are deflected outward by space charge of the inward beamlets. The measured steering angles were -1.2 mrad and -6.4/-4.5 mrad in the vertical and horizontal direction, which were in agreement with the designed value calculated by the 3D simulation code. The proper steering of the outermost beamlets allowed a significant reduction of the power loading of the grounded grid. The power loading was successfully reduced to an allowable level of 5 % with respect to the acceleration beam power. C1 [Kamada, Masaki; Hanada, Masaya; Ikeda, Yoshitaka] Japan Atom Energy Agcy, 801-1 Mukoyama, Naka, Ibaraki 3110193, Japan. [Grisham, Larry R.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Kamada, M (reprint author), Japan Atom Energy Agcy, 801-1 Mukoyama, Naka, Ibaraki 3110193, Japan. NR 7 TC 5 Z9 5 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0630-8 J9 AIP CONF PROC PY 2009 VL 1097 BP 412 EP + PG 2 WC Physics, Applied SC Physics GA BJE33 UT WOS:000265135700045 ER PT S AU Kashiwagi, M Inoue, T Grisham, LR Hanada, M Kamada, M Taniguchi, M Umeda, N Watanabe, K AF Kashiwagi, M. Inoue, T. Grisham, L. R. Hanada, M. Kamada, M. Taniguchi, M. Umeda, N. Watanabe, K. BE Surrey, E Simonin, A TI Compensation of beamlet repulsion in a large negative ion source with a multi aperture accelerator SO NEGATIVE IONS, BEAMS AND SOURCES SE AIP Conference Proceedings LA English DT Proceedings Paper CT 1st International Symposium on Negative Ions, Beams and Sources CY SEP 09-12, 2008 CL Aix en Provence, FRANCE SP Assoc EURATON-CEA, Aix Reg Community DE NBI; negative ion source; aperture offset ID NBI SYSTEM; DISPLACEMENT; JT-60U AB Excess heat loads to accelerator grids limit extension of pulse length in operation of the large negative ion sources with multi aperture accelerator. Part of the heat loads is caused by interception of deflected beamlets due to their space charge repulsion. In this paper, a beamlet steering technique using aperture offset was examined for compensation of the beamlet deflections utilizing a three dimensional beam analysis simulating the D- negative ion source of JT-60U. The beamlet deflection was analyzed in detail using fifty beamlets, which were extracted from apertures arranged in a lattice pattern of 10 x 5. The simulation showed successful compensation of the beamlet deflection by aperture offsets defined according to the thin lens theory. Even if the beam energy was changed, the necessary aperture offset would not be changed maintaining the perveance and a ratio of extraction and acceleration voltage. In JT-60U, it was shown that the aperture offset of less than 1.0 min would be enough to compensate the repulsion of all beamlets. When the magnetic field was applied for suppression of co-extracted electrons, necessary aperture offset was estimated to be +/- 0.5 min for 500 keV D- ion beam in JT-60U, in addition to the offset for the space charge repulsion. This result showed good agreements with the previous experimental results and design study of the JT-60U N-NBI. C1 [Kashiwagi, M.; Inoue, T.; Hanada, M.; Kamada, M.; Taniguchi, M.; Umeda, N.; Watanabe, K.] Japan Atom Energy Agcy, 801-1 Nukoyama, Naka, Ibaraki 3110193, Japan. [Grisham, L. R.] Princeton Univ, Plasma Phys Lab, Princeton, NJ USA. RP Kashiwagi, M (reprint author), Japan Atom Energy Agcy, 801-1 Nukoyama, Naka, Ibaraki 3110193, Japan. NR 14 TC 2 Z9 2 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0630-8 J9 AIP CONF PROC PY 2009 VL 1097 BP 421 EP + PG 2 WC Physics, Applied SC Physics GA BJE33 UT WOS:000265135700046 ER PT S AU Liu, Y Havener, CC Lewis, TL Galindo-Uribarri, A Beene, JR AF Liu, Y. Havener, C. C. Lewis, T. L. Galindo-Uribarri, A. Beene, J. R. BE Surrey, E Simonin, A TI Purification of Radioactive Ion Beams by Photodetachment in a RF Quadrupole Ion Beam Cooler SO NEGATIVE IONS, BEAMS AND SOURCES SE AIP Conference Proceedings LA English DT Proceedings Paper CT 1st International Symposium on Negative Ions, Beams and Sources CY SEP 09-12, 2008 CL Aix en Provence, FRANCE SP Assoc EURATON-CEA, Aix Reg Community DE Photodetachment; isobar suppression; buffer gas cooling; RF quadrupole ion guide ID NEGATIVE-IONS AB A highly efficient method for suppressing isobar contaminants in negative radioactive ion beams by photodetachment is demonstrated. A laser beam having the appropriate photon energy is used to selectively neutralize the contaminants. The efficiency of photodetachment can be substantially improved when the laser-ion interaction takes place inside a radio frequency quadrupole ion cooler. In off-line experiments with ion beams of stable isotopes, more than 99.9% suppression of Co-, S-, and O- ions has been demonstrated while under the identical conditions only 22% reduction in Ni- and no reduction in Cl- and F- ions were observed. This technique is being developed for on-line purification of a number of interesting radioactive beams, such as Ni-56, F-17,F-18, and Cl-33,Cl-36. C1 [Liu, Y.; Havener, C. C.; Galindo-Uribarri, A.; Beene, J. R.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Lewis, T. L.; Galindo-Uribarri, A.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. RP Liu, Y (reprint author), Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. FU U.S. Department of Energy [DE-ACO5-00011.22725]; Office of Fusion Energy Sciences; Office of Basic Energy Sciences of the U.S. Department of Energy FX This research has been sponsored by the U.S. Department of Energy, under contract DE-ACO5-00011.22725 with LJT-Battelle, LLC. CCH was supported by the Office of Fusion Energy Sciences and the Office of Basic Energy Sciences of the U.S. Department of Energy. NR 13 TC 3 Z9 3 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0630-8 J9 AIP CONF PROC PY 2009 VL 1097 BP 431 EP + PG 2 WC Physics, Applied SC Physics GA BJE33 UT WOS:000265135700047 ER PT B AU Blackwell, WJ Chen, FW AF Blackwell, William J. Chen, Frederick W. BA Blackwell, WJ Chen, FW BF Blackwell, WJ Chen, FW TI Neural Networks in Atmospheric Remote Sensing Introduction SO NEURAL NETWORKS IN ATMOSPHERIC REMOTE SENSING SE Artech House Remote Sensing Library LA English DT Editorial Material; Book Chapter ID ENVIRONMENTAL SCIENCES C1 [Blackwell, William J.] NASA, AIRS NPP Sci Team, Washington, DC USA. [Chen, Frederick W.] Signal Syst Corp, Severna Pk, MD USA. [Chen, Frederick W.] Argonne Natl Lab, Argonne, IL 60439 USA. [Chen, Frederick W.] MIT, Lincoln Lab, Cambridge, MA 02139 USA. NR 6 TC 19 Z9 19 U1 0 U2 0 PU ARTECH HOUSE PI NORWOOD PA 685 CANTON ST, NORWOOD, MA 02062 USA BN 978-1-59693-372-9 J9 ARTECH HSE REMOTE SE PY 2009 BP 1 EP 5 PG 5 WC Remote Sensing SC Remote Sensing GA BKE03 UT WOS:000267849700001 ER PT J AU Davis, LM Michaelides, M Cheskin, LJ Moran, TH Aja, S Watkins, PA Pei, Z Contoreggi, C McCullough, K Hope, B Wang, GJ Volkow, ND Thanos, PK AF Davis, Lisa M. Michaelides, Michael Cheskin, Lawrence J. Moran, Timothy H. Aja, Susan Watkins, Paul A. Pei, Zhengtong Contoreggi, Carlo McCullough, Karen Hope, Bruce Wang, Gene Jack Volkow, Nora D. Thanos, Panayotis K. TI Bromocriptine Administration Reduces Hyperphagia and Adiposity and Differentially Affects Dopamine D2 Receptor and Transporter Binding in Leptin-Receptor-Deficient Zucker Rats and Rats with Diet-Induced Obesity SO NEUROENDOCRINOLOGY LA English DT Article DE Bromocriptine; Dopamine; Dopamine D(2) receptor; Dopamine transporter; Leptin ID DECREASES EXTRACELLULAR DOPAMINE; BODY-FAT STORES; OB/OB MICE; NUCLEUS-ACCUMBENS; LOCOMOTOR-ACTIVITY; GLUCOSE-TOLERANCE; BRAIN DOPAMINE; D-2 RECEPTORS; FOOD-INTAKE; WEIGHT-LOSS AB Background: The dopamine (DA) D 2 receptor (D2R) agonist bromocriptine (BC) decreases body fat in animal and human models and increases lean muscle mass, improves glucose intolerance and insulin resistance, and reduces triglycerides and free fatty acids. We have previously shown a negative correlation between D2R and body weight in obese individuals and in rodents, and that chronic food restriction increases D2R binding in genetically obese rats. The purpose of this study was to assess whether the antiobesity and metabolic effects of BC are related to changes in midbrain DA and D2R activity by measuring D2R and DA transporter (DAT) binding in a genetic (leptin-receptor-deficient) and environmental (diet-induced) rodent obesity model. Methods: Obese (fa/fa) (leptin-receptor-deficient), lean (FA/FA) Zucker rats and rats with diet-induced obesity (DIO) were treated with 10 mg/kg BC for 4 weeks. Body weight, food intake, locomotor activity and blood glucose levels were measured along with D2R- and DAT-binding levels using in vitro receptor autoradiography. Results: BC decreased food intake and body fat and increased locomotor activity in both the (fa/fa) and DIO rats. Furthermore, BC increased D2R binding in (fa/fa) but not in DIO rats. Finally, BC increased DAT binding in DIO rats but not in the (fa/fa) rats. Conclusion: These observations are all consistent with the existence of unique leptin-DA interactions and the hypothesis that there is hyposensitivity of the DA system in obesity. Copyright (c) 2008 S. Karger AG, Basel C1 [Michaelides, Michael; Wang, Gene Jack; Volkow, Nora D.; Thanos, Panayotis K.] Brookhaven Natl Lab, Behav Neuropharmacol & Neuroimaging Lab, Dept Med, Baltimore, MD USA. [Davis, Lisa M.; Cheskin, Lawrence J.] Johns Hopkins Bloomberg Sch Publ Hlth, Ctr Human Nutr, Dept Int Hlth, Baltimore, MD USA. [Moran, Timothy H.; Aja, Susan] Johns Hopkins Sch Med, Dept Psychiat & Behav Sci, Baltimore, MD USA. [Watkins, Paul A.; Pei, Zhengtong] Johns Hopkins Univ, Sch Med, Kennedy Krieger Inst, Baltimore, MD USA. [Contoreggi, Carlo; McCullough, Karen; Hope, Bruce] Natl Inst Drug Abuse, Intramural Res Program, NIH, Baltimore, MD USA. [Thanos, Panayotis K.] SUNY Stony Brook, Neurosci Program, Stony Brook, NY 11794 USA. [Michaelides, Michael; Volkow, Nora D.; Thanos, Panayotis K.] NIAAA, Lab Neuroimaging, NIH, Dept Hlth & Human Serv, Bethesda, MD USA. RP Thanos, PK (reprint author), Brookhaven Natl Lab, Behav Neuropharmacol & Neuroimaging Lab, Dept Med, Bldg 490, Upton, NY 11973 USA. EM thanos@bnl.gov RI Hope, Bruce/A-9223-2010; Michaelides, Michael/K-4736-2013; Biguzzi, Felipe/E-4724-2015 OI Hope, Bruce/0000-0001-5804-7061; Michaelides, Michael/0000-0003-0398-4917; FU National Institute on Drug Abuse (NIDA) Intramural Research Program; Center for Human Nutrition at the Johns Hopkins Bloomberg School of Public Health [DK19302] FX The work was supported by the National Institute on Drug Abuse ( NIDA) Intramural Research Program, the Center for Human Nutrition at the Johns Hopkins Bloomberg School of Public Health, and grant DK19302. A special thanks to Tomas Guilarte, PhD, and Jennifer Dziedzic in the Department of Environmental Health, and Marie Diener- West, PhD, and Kathryn Ziegler, PhD, in the Department of Biostatistics at Johns Hopkins Bloomberg School of Public Health. NR 64 TC 26 Z9 28 U1 1 U2 2 PU KARGER PI BASEL PA ALLSCHWILERSTRASSE 10, CH-4009 BASEL, SWITZERLAND SN 0028-3835 J9 NEUROENDOCRINOLOGY JI Neuroendocrinology PY 2009 VL 89 IS 2 BP 152 EP 162 DI 10.1159/000170586 PG 11 WC Endocrinology & Metabolism; Neurosciences SC Endocrinology & Metabolism; Neurosciences & Neurology GA 412TQ UT WOS:000263747500004 PM 18984941 ER PT B AU Rinaldi, R Liang, LY Schober, H AF Rinaldi, Romano Liang, Liyuan Schober, Helmut BE Liang, L Rinaldi, R Schober, H TI Neutron Applications in Earth, Energy, and Environmental Sciences SO NEUTRON APPLICATIONS IN EARTH, ENERGY AND ENVIRONMENTAL SCIENCES SE Neutron Scattering Applications and Techniques LA English DT Article; Book Chapter ID MINERAL SCIENCES; DIFFRACTION; TOMOGRAPHY; SCATTERING; REFINEMENT; TEXTURE; WATER AB Neutron-based studies permit the determination of the structural details and the dynamics of atomic arrangements in materials from simple measurements of scattering and absorption processes. Neutrons are scattered by atomic nuclei, are sensitive to the atomic magnetic moment, and have scattering and absorption cross-sections independent of atomic number and mass. They therefore have a complementary role to X-rays, scattered by the electrons in atoms. A prominent aspect of this lies in the sensitivity of neutrons to light elements, in particular hydrogen, a ubiquitous component of organic and inorganic matter and a key component of Earth, energy, and environment-related materials. Furthermore, thanks to the low absorption of neutrons by most substances, neutron scattering allows good quality data to be obtained over a wide range of non-ambient environments. This permits studies of transformations and fundamental properties of materials in situ, while they are still subject to the physical-chemical conditions in the diverse environments in which they normally exist and function, from the Earth's surface to its deep interior, and to laboratory conditions of one's choice. The limitations traditionally connected with modest neutron flux, and consequent need for relatively large samples, are being overcome by Current advances in neutron Sources and instrumentation. As a result, the potential of neutron-based methods in the examination of materials in Earth, energy, and environmental Studies has gained momentum and opened up diverse new possibilities in these fields of scientific and technological research. C1 [Rinaldi, Romano] Univ Perugia, Dipartimento Sci Terra, I-06100 Perugia, Italy. [Liang, Liyuan] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Schober, Helmut] Inst Max Von Laue Paul Langevin, Time Flight & High Resolut Grp, F-38042 Grenoble 9, France. RP Rinaldi, R (reprint author), Univ Perugia, Dipartimento Sci Terra, I-06100 Perugia, Italy. EM rrinaldi@unipg.it; liangl@ornl.gov; schober@ill.fr; rrinaldi@unipg.it; schober@ill.fr NR 22 TC 2 Z9 2 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-0-387-09415-1 J9 NEUTRON SCATT APPL T PY 2009 BP 1 EP 14 DI 10.1007/978-0-387-09416-8_1 D2 10.1007/978-0-387-09416-8 PG 14 WC Engineering, Environmental; Materials Science, Multidisciplinary; Physics, Nuclear SC Engineering; Materials Science; Physics GA BKH01 UT WOS:000268051500001 ER PT B AU Ross, NL Spencer, EC Levchenko, AA Kolesnikov, AI Wesolowski, DJ Cole, DR Mamontov, E Vlcek, L AF Ross, Nancy L. Spencer, Elinor C. Levchenko, Andrey A. Kolesnikov, Alexander I. Wesolowski, David J. Cole, David R. Mamontov, Eugene Vlcek, Lukas BE Liang, L Rinaldi, R Schober, H TI Studies of Mineral-Water Surfaces SO NEUTRON APPLICATIONS IN EARTH, ENERGY AND ENVIRONMENTAL SCIENCES SE Neutron Scattering Applications and Techniques LA English DT Article; Book Chapter ID ELASTIC NEUTRON-SCATTERING; ELECTRIC DOUBLE-LAYER; FORCE-FIELD PARAMETERS; RUTILE 110 SURFACE; SUPERCOOLED WATER; MOLECULAR-DYNAMICS; MODIFIED ZIRCONIA; SILICA MATERIALS; HYDRATION WATER; CONFINED SPACE AB In this chapter we discuss the application of inelastic and quasielastic neutron scattering to the elucidation of the structure, energetics, and dynamics of water confined on the surfaces of mineral oxide nanoparticles. We begin by highlighting recent advancements in this active field of research before providing a brief review of the theory underpinning inelastic neutron scattering (INS) and quasielastic neutron scattering (QENS) techniques. We then discuss examples illustrating the use of neutron scattering methods for studying hydration layers that are an integral part of the nanoparticle structure. The first investigation of this kind, namely the INS analysis of hydrated ZrO2 nanoparticles, is described, as well as a later, complementary QENS study that allowed for the dynamics of diffusion of the water molecules within the hydration layer to be examined in detail. The diverse range of information available from INS experiments is illustrated by a recent study combining INS with calorimetric experiments that elucidated the thermodynamic properties of adsorbed water on anatase (TiO2) nanoparticles. To emphasize the importance of molecular dynamics (MD) simulations for deconvoluting complex QENS spectra, we describe both the MD and the QENS analysis of rutile (TiO2) and cassiterite (SnO2) nanoparticle systems and show that, when combined, data obtained by these two complementary methods can provide a complete description of the motion of the water molecules on the nanoparticle surface. We close with a glimpse into the future for this thriving field of research. C1 [Ross, Nancy L.; Spencer, Elinor C.] Virginia Tech, Crystallog Lab, Dept Geosci, Blacksburg, VA 24061 USA. [Levchenko, Andrey A.] Univ Calif Davis, Peter A Rock Thermochem Lab, Davis, CA 95616 USA. [Levchenko, Andrey A.] Univ Calif Davis, NEAT ORU, Davis, CA 95616 USA. [Kolesnikov, Alexander I.] Argonne Natl Lab, Div Intense Pulsed Neutron Source, Argonne, IL 60439 USA. [Wesolowski, David J.; Cole, David R.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Mamontov, Eugene] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. [Vlcek, Lukas] Vanderbilt Univ, Dept Chem Engn, Nashville, TN 37235 USA. RP Ross, NL (reprint author), Virginia Tech, Crystallog Lab, Dept Geosci, Blacksburg, VA 24061 USA. EM nross@vt.edu; espence@vt.edu; alevchenko@ucdavid.edu; akolesnikov@anl.gov; wesolowskid@ornl.gov; coledr@ornl.gov; mamontove@ornl.gov; lukas.vlcek@Vanderbilt.Edu OI Kolesnikov, Alexander/0000-0003-1940-4649 NR 55 TC 4 Z9 4 U1 2 U2 8 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-0-387-09415-1 J9 NEUTRON SCATT APPL T PY 2009 BP 235 EP 256 DI 10.1007/978-0-387-09416-8_8 D2 10.1007/978-0-387-09416-8 PG 22 WC Engineering, Environmental; Materials Science, Multidisciplinary; Physics, Nuclear SC Engineering; Materials Science; Physics GA BKH01 UT WOS:000268051500008 ER PT B AU Johs, A Liang, LY Gu, BH Ankner, JF Wang, W AF Johs, Alexander Liang, Liyuan Gu, Baohua Ankner, John F. Wang, Wei BE Liang, L Rinaldi, R Schober, H TI Application of Neutron Reflectivity for Studies of Biomolecular Structures and Functions at Interfaces SO NEUTRON APPLICATIONS IN EARTH, ENERGY AND ENVIRONMENTAL SCIENCES SE Neutron Scattering Applications and Techniques LA English DT Article; Book Chapter ID SHEWANELLA-ONEIDENSIS MR-1; SELF-ASSEMBLED MONOLAYERS; SUPPORTED LIPID-BILAYERS; ATOMIC-FORCE MICROSCOPY; AQUEOUS SOLUTION INTERFACE; SILICA-WATER INTERFACE; BETA-CASEIN ADSORPTION; BOVINE SERUM-ALBUMIN; C-TYPE CYTOCHROMES; MEMBRANE-PROTEINS AB Structures and functions of cell membranes are of central importance in understanding processes such as cell signaling, chemotaxis, redox transformation, biofilm formation, and mineralization occurring at interfaces. This chapter provides an overview of the application of neutron reflectivity (NR) as a unique tool for probing biomolecular structures and mechanisms as a first step toward understanding protein-protein, protein-lipid, and protein-mineral interactions at the membrane-substrate interfaces. Emphasis is given to the review of existing literature on the assembly of biomimetic membrane systems, such as supported membranes for NR studies, and demonstration of model calculations showing the potential of NR to elucidate molecular fundamentals of microbial cell-mineral interactions and structure-functional relationships of electron transport pathways. The increased neutron flux afforded by current and upcoming neutron sources holds promise for elucidating detailed processes such as phase separation, formation of microdomains, and membrane interactions with proteins and peptides in biological systems. C1 [Johs, Alexander; Liang, Liyuan; Gu, Baohua; Wang, Wei] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Ankner, John F.] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. RP Johs, A (reprint author), Oak Ridge Natl Lab, Div Environm Sci, 1 Bethel Valley Rd,MS 6038, Oak Ridge, TN 37831 USA. EM johsa@ornl.gov; liangl@ornl.gov; gub1@ornl.gov; anknerjf@ornl.gov; wnagw@ornl.gov RI Wang, Wei/B-5924-2012 NR 99 TC 2 Z9 2 U1 1 U2 2 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-0-387-09415-1 J9 NEUTRON SCATT APPL T PY 2009 BP 463 EP 489 DI 10.1007/978-0-387-09416-8_16 D2 10.1007/978-0-387-09416-8 PG 27 WC Engineering, Environmental; Materials Science, Multidisciplinary; Physics, Nuclear SC Engineering; Materials Science; Physics GA BKH01 UT WOS:000268051500016 ER PT B AU Cole, DR Mamontov, E Rother, G AF Cole, David R. Mamontov, Eugene Rother, Gernot BE Liang, L Rinaldi, R Schober, H TI Structure and Dynamics of Fluids in Microporous and Mesoporous Earth and Engineered Materials SO NEUTRON APPLICATIONS IN EARTH, ENERGY AND ENVIRONMENTAL SCIENCES SE Neutron Scattering Applications and Techniques LA English DT Article; Book Chapter ID ELASTIC NEUTRON-SCATTERING; INTERLAYER WATER-MOLECULES; VANADIUM PENTOXIDE HYDRATE; HYDROGEN-BONDED LIQUIDS; EXCHANGED ZEOLITE-X; CONFINED GEOMETRY; SUPERCOOLED WATER; VYCOR GLASS; SPIN-ECHO; SILICA MATERIALS AB The behavior of liquids in confined geometries (pores, fractures) typically differs, due to the effects of large internal surfaces and geometrical confinement, from their bulk behavior in many ways. Phase transitions (i.e., freezing and capillary condensation), sorption and wetting, and dynamical properties, including diffusion and relaxation, may be modified, with the strongest changes observed for pores ranging in size from <2 to 50 nm-the micro- and mesoporous regimes. Important factors influencing the structure and dynamics of confined liquids include the average pore size and pore size distribution, the degree of pore interconnection, and the character of the liquid-surface interaction. While confinement of liquids in hydrophobic matrices, such as carbon nanotubes, or near the surfaces of mixed character, such as many proteins, has also been an area of rapidly growing interest, the confining matrices of interest to earth and materials sciences usually contain oxide structural units and thus are hydrophilic. The pore size distribution and the degree of porosity and inter-connection vary greatly amongst porous matrices. Vycor, xerogels, aerogels, and rocks possess irregular porous structures, whereas mesoporous silicas (e.g., SBA-15, MCM-41, MCM-48), zeolites, and layered systems, for instance clays, have high degrees of internal order. The pore type and size may be tailored by means of adjusting the synthesis regimen. In clays, the interlayer distance may depend on the level of hydration. Although studied less frequently, matrices such as artificial opals and chrysotile asbestos represent other interesting examples of ordered porous structures. The properties of neutrons make them an ideal probe for comparing the properties of bulk fluids with those in confined geometries. In this chapter, we provide a brief review of research performed on liquids confined in materials of interest to the earth and material sciences (silicas, aluminas, zeolites, clays, rocks, etc.), emphasizing those neutron scattering techniques that assess both structural modification and dynamical behavior. Quantitative understanding of the complex solid-fluid interactions under different thermodynamic situations will impact both the design of better Substrates for technological applications (e.g., chromatography, fluid capture, storage and release, and heterogeneous catalysis) as well as our fundamental understanding of processes encountered in the environment (i.e., fluid and waste mitigation, carbon sequestration, etc.). C1 [Cole, David R.; Rother, Gernot] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Mamontov, Eugene] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. RP Cole, DR (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM coledr@ornl.gov; mamontove@ornl.gov; rotherg@ornl.gov RI Rother, Gernot/B-7281-2008 OI Rother, Gernot/0000-0003-4921-6294 NR 157 TC 20 Z9 20 U1 1 U2 4 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-0-387-09415-1 J9 NEUTRON SCATT APPL T PY 2009 BP 547 EP 570 DI 10.1007/978-0-387-09416-8_19 D2 10.1007/978-0-387-09416-8 PG 24 WC Engineering, Environmental; Materials Science, Multidisciplinary; Physics, Nuclear SC Engineering; Materials Science; Physics GA BKH01 UT WOS:000268051500019 ER PT B AU Triolo, R Agamalian, M AF Triolo, Roberto Agamalian, Michael BE Liang, L Rinaldi, R Schober, H TI The Combined Ultra-Small- and Small-Angle Neutron Scattering (USANS/SANS) Technique for Earth Sciences SO NEUTRON APPLICATIONS IN EARTH, ENERGY AND ENVIRONMENTAL SCIENCES SE Neutron Scattering Applications and Techniques LA English DT Article; Book Chapter ID DOUBLE-CRYSTAL DIFFRACTOMETER; X-RAY-SCATTERING; FRACTAL GEOMETRY; ROCKS; INSTRUMENT; SURFACE; SILICA; PERFECT; POLYSTYRENE; PERFORMANCE AB The extension of the well-known Small-Angle Neutron Scattering (SANS) technique to Ultra-Small Angles (USANS) provides a unique tool for studying hierarchical structures ranging in size from nanometers to micrometers. Hierarchical structures are common for many natural and man-made materials, which show multi-level morphology (atoms-molecules-aggregates-agglomerates), in other words, are made up of structural units encompassing the atomic, molecular, micro- and macroscopic length scales. Combining USANS and SANS data can provide complete structural information for complicated polydisperse systems, allowing the determination of their complex morphology and hence has been successfully applied to structural studies in geology, petrology, and archeology. This chapter briefly outlines the technique and provides detailed examples of the applications in the Earth Sciences. C1 [Agamalian, Michael] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. [Triolo, Roberto] Univ Palermo, I-90128 Palermo, Italy. RP Agamalian, M (reprint author), Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. EM triolo@unipa.it; magamalian@ornl.gov NR 73 TC 1 Z9 1 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-0-387-09415-1 J9 NEUTRON SCATT APPL T PY 2009 BP 571 EP 594 DI 10.1007/978-0-387-09416-8_20 D2 10.1007/978-0-387-09416-8 PG 24 WC Engineering, Environmental; Materials Science, Multidisciplinary; Physics, Nuclear SC Engineering; Materials Science; Physics GA BKH01 UT WOS:000268051500020 ER PT B AU Herwig, KW AF Herwig, K. W. BE Anderson, IS McGreevy, RL Bilheux, HZ TI Introduction to the Neutron SO NEUTRON IMAGING AND APPLICATIONS: A REFERENCE FOR THE IMAGING COMMUNITY SE Neutron Scattering Applications and Techniques LA English DT Editorial Material; Book Chapter DE Neutron; Scattering; Absorption; Cross section ID EXISTENCE AB As a fundamental particle, the neutron has many unique attributes that provide a variety of contrast mechanisms enabling many imaging techniques that will be discussed throughout this book. This chapter introduces the neutron with a short summary of its discovery and continues with a presentation of its fundamental properties. A physical picture of the attenuation of a primary beam of particles and the mathematical formulae that govern that attenuation are presented. This chapter concludes with a discussion of neutron interactions with matter that provide the physical basis underlying neutron imaging. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Herwig, KW (reprint author), Oak Ridge Natl Lab, POB 2909, Oak Ridge, TN 37831 USA. EM herwigkw@ornl.gov NR 15 TC 3 Z9 3 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-0-387-78692-6 J9 NEUTRON SCATT APPL T PY 2009 BP 3 EP 12 DI 10.1007/978-0-387-78693-3_1 D2 10.1007/978-0-387-78693-3 PG 10 WC Physics, Nuclear SC Physics GA BKF97 UT WOS:000267992900002 ER PT B AU Anderson, I Bilheux, H McGreevy, R AF Anderson, Ian Bilheux, Hassina McGreevy, Robert BE Anderson, IS McGreevy, RL Bilheux, HZ TI Neutron Imaging and Applications A Reference for the Imaging Community Preface SO NEUTRON IMAGING AND APPLICATIONS: A REFERENCE FOR THE IMAGING COMMUNITY SE Neutron Scattering Applications and Techniques LA English DT Editorial Material; Book Chapter C1 [Bilheux, Hassina] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN USA. EM bilheuxhn@ornl.gov NR 3 TC 10 Z9 10 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-0-387-78692-6 J9 NEUTRON SCATT APPL T PY 2009 BP V EP XI D2 10.1007/978-0-387-78693-3 PG 7 WC Physics, Nuclear SC Physics GA BKF97 UT WOS:000267992900001 ER PT B AU Arai, M Crawford, K AF Arai, M. Crawford, K. BE Anderson, IS McGreevy, RL Bilheux, HZ TI Neutron Sources and Facilities SO NEUTRON IMAGING AND APPLICATIONS: A REFERENCE FOR THE IMAGING COMMUNITY SE Neutron Scattering Applications and Techniques LA English DT Article; Book Chapter DE Reactor source; Spallation source; Portable source; Neutron energy; Pulse; Pulse width; Thermal neutron; Moderators; Reflectors; Neutron production; Fission; Spallation; Proton; Accelerator; Instrument; Time-of-flight; Flux ID RADIOGRAPHY FACILITY; SPALLATION SOURCE; RESEARCH REACTOR; SOURCE SINQ; DESIGN; CONSTRUCTION; SCATTERING; SYSTEMS; ENERGY; NIST AB This chapter provides a brief survey of the types of neutron Sources that are available for imaging applications, primarily focusing on high-flux sources Such as reactors or spallation sources but also including smaller or portable Sources based on radioactive decay or small accelerators. Although nearly all neutron imaging studies performed so far have used portable or reactor-based sources, spallation Sources will be of increasing importance in the future. Their designs are less familiar and somewhat more complex, so the chapter concentrates on them. C1 [Arai, M.] Japan Atom Energy Agcy, Japan Proton Accelerator Res Complex Ctr, Tokai, Ibaraki, Japan. [Crawford, K.] Ok Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN USA. RP Arai, M (reprint author), Japan Atom Energy Agcy, Japan Proton Accelerator Res Complex Ctr, 2-4 Shirakata Shirame, Tokai, Ibaraki, Japan. EM masatoshi.arai@j-parc.jp NR 48 TC 8 Z9 9 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-0-387-78692-6 J9 NEUTRON SCATT APPL T PY 2009 BP 13 EP 30 DI 10.1007/978-0-387-78693-3_2 D2 10.1007/978-0-387-78693-3 PG 18 WC Physics, Nuclear SC Physics GA BKF97 UT WOS:000267992900003 ER PT B AU Crow, L AF Crow, L. BE Anderson, IS McGreevy, RL Bilheux, HZ TI Neutron Detectors for Imaging SO NEUTRON IMAGING AND APPLICATIONS: A REFERENCE FOR THE IMAGING COMMUNITY SE Neutron Scattering Applications and Techniques LA English DT Article; Book Chapter DE Neutron detector; Scintillation neutron detector; Neutron converter; Gas neutron detector; Solid state neutron detector; Imaging neutron detector ID POSITION-SENSITIVE DETECTORS; SILICON FLAT-PANEL; THERMAL-NEUTRONS; SCINTILLATION DETECTORS; PROPORTIONAL COUNTER; SPATIAL-RESOLUTION; CCD-CAMERA; RADIOGRAPHY; PERFORMANCE; PLATE AB This chapter examines neutron detection methods for imaging. The first section reviews neutron capture converters, which form the basis for thermal neutron detection, and the following sections examine various detector systems with an emphasis on imaging applications and the choices available for imaging at time-of-flight facilities. C1 Oak Ridge Natl Lab, Neutron Facil Dev Div, Oak Ridge, TN 37831 USA. RP Crow, L (reprint author), Oak Ridge Natl Lab, Neutron Facil Dev Div, Oak Ridge, TN 37831 USA. EM crownljr@ornl.gov NR 89 TC 7 Z9 7 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-0-387-78692-6 J9 NEUTRON SCATT APPL T PY 2009 BP 47 EP 63 DI 10.1007/978-0-387-78693-3_4 D2 10.1007/978-0-387-78693-3 PG 17 WC Physics, Nuclear SC Physics GA BKF97 UT WOS:000267992900005 ER PT B AU Tobin, KW Bingham, PR Gregor, J AF Tobin, K. W. Bingham, P. R. Gregor, J. BE Anderson, IS McGreevy, RL Bilheux, HZ TI Mathematics of Neutron Imaging SO NEUTRON IMAGING AND APPLICATIONS: A REFERENCE FOR THE IMAGING COMMUNITY SE Neutron Scattering Applications and Techniques LA English DT Article; Book Chapter DE Neutron radiography; Computed tomography; Modeling; Resolution; Contrast ID COMPUTED-TOMOGRAPHY; CODED-APERTURE; LEAST-SQUARES; EM ALGORITHM; RADIOGRAPHY; RECONSTRUCTION; BEAM; INSPECTION; SYSTEMS AB Imaging with neutrons at macro-world scales (e.g., >10 mu m) requires particular understanding of the non-diffracting or refracting interactions that these electrically neutral particles have with their environment. While image formation with neutrons shares some commonality with other radiation sources Such as X-rays and gamma rays, neutrons provide complementary interaction mechanisms to these techniques that can uniquely probe materials and structure. Neutron sources are also historically fraught with issues regarding low source intensities, challenging beam configurations and resolution limitations that are all closely linked. In this chapter we will present a mathematical construct and methods compatible with the design and characterization of radiography systems for volumetric imaging. We begin with a review of neutron image formation, provide resolution analysis concepts and methods for both the design and the characterization of radiography systems, and conclude with a review and discussion Of volumetric reconstruction techniques using analytic or iterative computed tomography algorithms. C1 [Tobin, K. W.; Bingham, P. R.] Oak Ridge Natl Lab, Image Sci & Machine Vis Grp, Oak Ridge, TN 37831 USA. [Gregor, J.] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN USA. RP Tobin, KW (reprint author), Oak Ridge Natl Lab, Image Sci & Machine Vis Grp, Oak Ridge, TN 37831 USA. EM tobinkwjr@ornl.gov OI Bingham, Philip/0000-0003-4616-6084 NR 40 TC 5 Z9 5 U1 0 U2 2 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-0-387-78692-6 J9 NEUTRON SCATT APPL T PY 2009 BP 109 EP 127 DI 10.1007/978-0-387-78693-3_7 D2 10.1007/978-0-387-78693-3 PG 19 WC Physics, Nuclear SC Physics GA BKF97 UT WOS:000267992900008 ER PT B AU Kardjilov, N Lee, WTH Granroth, GE AF Kardjilov, N. Lee, W. T. H. Granroth, G. E. BE Anderson, IS McGreevy, RL Bilheux, HZ TI Novel Imaging Techniques: Polarized Neutrons and Neutron-Based Magnetic Resonance Imaging SO NEUTRON IMAGING AND APPLICATIONS: A REFERENCE FOR THE IMAGING COMMUNITY SE Neutron Scattering Applications and Techniques LA English DT Article; Book Chapter DE Polarized neutrons; Magnetic fields; Magnetic resonance imaging; Spin-echo; Time-of-flight; three-dimensional imaging ID DIFFRACTION; FIELDS AB This chapter describes three rather novel neutron-based imaging methods all of which involve magnetic fields. The first two take advantage of the neutron magnetic moment which makes it sensitive to the presence of magnetic fields. In the First application the Larmor precession of the neutron in a magnetic field is used to produce two- and three-dimensional (3D) visualization of magnetic field distributions in free space and in bulk materials. In the second potential application, the Larmor precession is used as a measure of the material density through which the beam passes. Although this technique of spin contrast imaging is still very much in the concept stage, initial estimates show that it is feasible with new Sources and may open up the possibility of obtaining 3D images without moving the sample. Polarization of the nuclei in a material can also provide unique ways of imaging a system. By partially polarizing the nuclei with a sufficiently large magnetic field, the Zeeman splitting of the nuclei can be detected by high-resolution neutron spectroscopy. If the field is then reduced, the time for the Zeeman splitting to relax to the equilibrium value is a measure of the nuclear relaxation time; this is the physical quantity measured in magnetic resonance imaging. A full image of the relaxation times with respect to position could then be obtained by rastering the sample in the neutron beam. C1 [Kardjilov, N.] Helmholtz Ctr Berlin Mat & Energy, Berlin, Germany. [Lee, W. T. H.; Granroth, G. E.] Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN USA. RP Kardjilov, N (reprint author), Helmholtz Ctr Berlin Mat & Energy, Berlin, Germany. EM kardjilov@helmholtz-berlin.de NR 19 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-0-387-78692-6 J9 NEUTRON SCATT APPL T PY 2009 BP 171 EP 187 DI 10.1007/978-0-387-78693-3_10 D2 10.1007/978-0-387-78693-3 PG 17 WC Physics, Nuclear SC Physics GA BKF97 UT WOS:000267992900011 ER PT B AU Watkin, KL Bilheux, HZ Ankner, JF AF Watkin, K. L. Bilheux, H. Z. Ankner, J. F. BE Anderson, IS McGreevy, RL Bilheux, HZ TI Probing the Potential of Neutron Imaging for Biomedical and Biological Applications SO NEUTRON IMAGING AND APPLICATIONS: A REFERENCE FOR THE IMAGING COMMUNITY SE Neutron Scattering Applications and Techniques LA English DT Article; Book Chapter DE Biology; Neutron Imaging; X-ray imaging; Biomedical; Contrast agent; Thermal neutrons; Epithermal neutrons; Small gadolinium particulate oxide (SPGO) ID EMISSION COMPUTED-TOMOGRAPHY; BREAST-CANCER; RADIOGRAPHY; PHASE AB Neutron imaging of biological specimens began soon after the discovery of the neutron by Chadwick in 1932. The First samples included tumors in tissues, internal organs in rats, and bones. These studies mainly employed thermal neutrons and were often compared with X-ray images of the same or equivalent samples. Although neutron scattering is widely used in biological studies, neutron imaging has yet to be exploited to its full capability in this area. This chapter summarizes past and current research efforts to apply neutron radiography to the study of biological specimens, in the expectation that clinical and medical research, as well as forensic science, may benefit from it. C1 [Watkin, K. L.] Univ Illinois, Coll Appl Hlth Sci, Champaign, IL 61821 USA. [Bilheux, H. Z.; Ankner, J. F.] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN USA. RP Watkin, KL (reprint author), Univ Illinois, Coll Appl Hlth Sci, 901 So 6th, Champaign, IL 61821 USA. EM watkin@uiuc.edu; bilheuxhn@ornl.gov; bilheuxhn@ornl.gov NR 26 TC 5 Z9 5 U1 2 U2 2 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-0-387-78692-6 J9 NEUTRON SCATT APPL T PY 2009 BP 253 EP 264 DI 10.1007/978-0-387-78693-3_14 D2 10.1007/978-0-387-78693-3 PG 12 WC Physics, Nuclear SC Physics GA BKF97 UT WOS:000267992900015 ER PT B AU Heller, WT Baker, GA AF Heller, W. T. Baker, G. A. BE Anderson, IS McGreevy, RL Bilheux, HZ TI Visualizing Structures of Biological Macromolecules Through Indirect Imaging with Small-Angle Neutron Scattering and Modeling SO NEUTRON IMAGING AND APPLICATIONS: A REFERENCE FOR THE IMAGING COMMUNITY SE Neutron Scattering Applications and Techniques LA English DT Article; Book Chapter DE Small-angle neutron scattering; Structural biology; Contrast variation; Modeling ID X-RAY-SCATTERING; LIGHT-CHAIN KINASE; ESCHERICHIA-COLI RIBOSOME; ANALYZING CONFORMATIONAL TRANSITIONS; DIRECT SHAPE DETERMINATION; CONTRAST VARIATION; TROPONIN-I; SYNCHROTRON-RADIATION; INFORMATION-CONTENT; GENETIC ALGORITHM AB The Molecular machinery of living organisms is built of systems whose length scales range from nanometers to microns. While neutron imaging is a powerful tool for studying macroscopic systems, neutron optics is not capable of effectively resolving these macromolecular systems. Small-angle neutron scattering when combined with modeling and contrast variation methods enables indirect imaging for visualization of structure and function over these length scales. A brief overview of small-angle neutron scattering with contrast variation is presented with a description of available modeling methods. Applications of the methods are also presented to provide a survey of the wide variety of systems that are suitable for study. C1 [Heller, W. T.] Oak Ridge Natl Lab, Ctr Struct Mol Biol, Oak Ridge, TN 37931 USA. RP Heller, WT (reprint author), Oak Ridge Natl Lab, Ctr Struct Mol Biol, POB 2008, Oak Ridge, TN 37931 USA. EM hellerwt@ornl.gov NR 91 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-0-387-78692-6 J9 NEUTRON SCATT APPL T PY 2009 BP 289 EP 304 DI 10.1007/978-0-387-78693-3_16 D2 10.1007/978-0-387-78693-3 PG 16 WC Physics, Nuclear SC Physics GA BKF97 UT WOS:000267992900017 ER PT J AU Han, TYJ Pagoria, PF Gash, AE Maiti, A Orme, CA Mitchell, AR Fried, LE AF Han, T. Yong-Jin Pagoria, Philip F. Gash, Alexander E. Maiti, Amitesh Orme, Christine A. Mitchell, Alexander R. Fried, Laurence E. TI The solubility and recrystallization of 1,3,5-triamino-2,4,6-trinitrobenzene in a 3-ethyl-1-methylimidazolium acetate-DMSO co-solvent system SO NEW JOURNAL OF CHEMISTRY LA English DT Article ID IONIC LIQUIDS; CRYSTAL-STRUCTURE; 2ND-HARMONIC GENERATION; ELECTRON-DIFFRACTION; DISSOLUTION; MOLECULES; CELLULOSE; TRIAMINOTRINITROBENZENE; COMPLEXES; SOLVENTS AB Ionic liquids have previously been shown to dissolve strong inter-and intramolecular hydrogen-bonded solids, including natural fibers. Much of this solubility is attributed to the anions in ionic liquids, which can disrupt hydrogen bonding. We have studied the solubility and recrystallization of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB), a very strong inter-and intramolecular hydrogen-bonded solid, in various ionic liquid solvent systems. We discovered that acetate-based ionic liquids were the best solvents for dissolving TATB, while other anions, such as Cl(-), HSO(4)(-) and NO(3)(-) showed moderate improvements in the solubility compared to conventional organic solvents. Ionic liquid-DMSO co-solvent systems were also investigated for dissolving and recrystallizing TATB. C1 [Han, T. Yong-Jin; Pagoria, Philip F.; Gash, Alexander E.; Maiti, Amitesh; Orme, Christine A.; Mitchell, Alexander R.; Fried, Laurence E.] Lawrence Livermore Natl Lab, Chem Mat Earth & Life Sci Directorate, Livermore, CA 94551 USA. RP Han, TYJ (reprint author), Lawrence Livermore Natl Lab, Chem Mat Earth & Life Sci Directorate, Livermore, CA 94551 USA. EM han5@llnl.gov RI Orme, Christine/A-4109-2009; Fried, Laurence/L-8714-2014 OI Fried, Laurence/0000-0002-9437-7700 FU US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Laboratory Directed Research and Development Program [06-SI-005] FX This work performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. The project 06-SI-005 was funded by the Laboratory Directed Research and Development Program. NR 28 TC 16 Z9 19 U1 1 U2 16 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1144-0546 J9 NEW J CHEM JI New J. Chem. PY 2009 VL 33 IS 1 BP 50 EP 56 DI 10.1039/b810109d PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA 416RW UT WOS:000264024200005 ER PT J AU Sgarlata, C Bonaccorso, C Gulino, FG Zito, V Arena, G Sciotto, D AF Sgarlata, Carmelo Bonaccorso, Carmela Gulino, Fabio Giuseppe Zito, Valeria Arena, Giuseppe Sciotto, Domenico TI Stereochemistry and thermodynamics of the inclusion of aliphatic and aromatic anionic guests in a tetracationic calix[4]arene in acidic and neutral aqueous solutions SO NEW JOURNAL OF CHEMISTRY LA English DT Article ID SUPRAMOLECULAR CHEMISTRY; DIHYDROGEN PHOSPHATE; RECEPTOR MOLECULES; COMPLEXATION; BINDING; WATER; RECOGNITION; SOLVENT; CALIXARENES; CONSTANTS AB A cationic calix[4] arene derivative binds both aliphatic and aromatic anions in aqueous solution thanks to concerted electrostatic and hydrophobic interactions. (1)H NMR and potentiometric data show that the host flexibility changes as a function of pH. (1)H NMR and isothermal titration calorimetry (ITC) studies, also supported by ESI-MS data, show that inclusion yields supramolecular complexes of the guest subset of host type only. Binding becomes weaker as the pH increases due to rigidification of the host in neutral aqueous solutions, and is enthalpically favoured for all the supramolecular complexes, regardless of pH. C1 [Zito, Valeria] Univ Catania, Dipartimento Sci Chim, IBB, CNR, I-95125 Catania, Italy. RP Sgarlata, C (reprint author), Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM csgarlata@lbl.gov; garena@unict.it RI Bonaccorso, Carmela/M-7325-2016 OI Bonaccorso, Carmela/0000-0001-9112-5623 FU MIUR; University of Catania FX MIUR and the University of Catania (Progetto di Ateneo) are gratefully acknowledged for their partial support. NR 48 TC 12 Z9 12 U1 0 U2 3 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1144-0546 J9 NEW J CHEM JI New J. Chem. PY 2009 VL 33 IS 5 BP 991 EP 997 DI 10.1039/b901164c PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA 442SH UT WOS:000265860400008 ER PT J AU Guo, JC Liang, YY Xiao, SQ Szarko, JM Sprung, M Mukhopadhyay, MK Wang, J Yu, LP Chen, LX AF Guo, Jianchang Liang, Yongye Xiao, Shengqian Szarko, Jodi M. Sprung, Michael Mukhopadhyay, Mrinmay K. Wang, Jin Yu, Luping Chen, Lin X. TI Structure and dynamics correlations of photoinduced charge separation in rigid conjugated linear donor-acceptor dyads towards photovoltaic applications SO NEW JOURNAL OF CHEMISTRY LA English DT Article ID ORGANIC SOLAR-CELLS; END-CAPPED PENTAPHENYLENES; FIELD-EFFECT MOBILITY; ELECTRON-TRANSFER; MOLECULAR-WEIGHT; REGIOREGULAR POLY(3-HEXYLTHIOPHENE); TRANSFER KINETICS; FULLERENE TRIADS; BUILDING-BLOCKS; RADICAL-ANIONS AB The rates of photoinduced charge separation (CS) and charge recombination (CR) of four rigidly linked donor (D)-acceptor (A) dyads that were synthesized as intramolecular p/n junctions were obtained by optical transient absorption spectroscopy in solutions and self-assembled films. The CS processes were much more efficient than CR processes for all dyads in both solutions and films, which is preferable for photovoltaic applications. The rates of CR processes in covalently linked dyad films were slower than those in non-covalently linked D (i.e. oligothiophene (OTH)) and A (i.e. perylenediimide (PDI)) mixtures, demonstrating that the covalent linker may have reduced the probability of geminate recombination of charges due to direct face-to-face packing between D and A. Although both the CS and CR rates of the four dyads were similar with respect to one another in solution, they differed from one another in films, with the slowest CR rate observed in the dyad connected to a bulky alkyl group that hindered packing. After annealing, the CR rates of all films increased non-uniformly, and the extent of increase was correlated to structural changes as evidenced by the grazing-incident X-ray scattering (GIXS). C1 [Guo, Jianchang; Liang, Yongye; Xiao, Shengqian; Yu, Luping] Univ Chicago, Dept Chem, Chicago, IL 60637 USA. [Guo, Jianchang] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Sprung, Michael; Mukhopadhyay, Mrinmay K.; Wang, Jin] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. [Szarko, Jodi M.; Chen, Lin X.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. RP Yu, LP (reprint author), Univ Chicago, Dept Chem, 5735 S Ellis Ave, Chicago, IL 60637 USA. EM lupinyu@uchicago.edu; lchen@anl.gov RI Liang, Yongye/D-1099-2010; Liang, Yongye/D-9275-2012; Mukhopadhyay, Mrinmay/E-6667-2012; OI Szarko, Jodi/0000-0002-2181-9408 FU Northwestern University; Division of Chemical Sciences, Office of Basic Energy Sciences, the U. S. Department of Energy [W-31-109-Eng-38] FX We would like to acknowledge the supports by UC/ANL collaborative seed grant (L.Y. and L.X.C.), Northwestern University setup fund, and the Division of Chemical Sciences, Office of Basic Energy Sciences, the U. S. Department of Energy under contract W-31-109-Eng-38 (for L. X. C.). The facilities of the Advanced Photon Source are supported by Office of Basic Energy Sciences, the U. S. Department of Energy under contract W-31-109-Eng-38. NR 64 TC 14 Z9 15 U1 2 U2 20 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1144-0546 J9 NEW J CHEM JI New J. Chem. PY 2009 VL 33 IS 7 BP 1497 EP 1507 DI 10.1039/b821941a PG 11 WC Chemistry, Multidisciplinary SC Chemistry GA 467HC UT WOS:000267728200010 ER PT B AU Martinez, AI Garcia-Lobato, MA Perry, DL AF Martinez, Arturo I. Garcia-Lobato, M. A. Perry, Dale L. BE Barranon, A TI STUDY OF THE PROPERTIES OF IRON OXIDE NANOSTRUCTURES SO NEW NANOTECHNOLOGY DEVELOPMENTS SE Nanotechnology Science and Technology LA English DT Article; Book Chapter ID CHEMICAL-VAPOR-DEPOSITION; MAGNETIC-PROPERTIES; THIN-FILMS; FERRITE NANOPARTICLES; GAMMA-FE2O3 NANOPARTICLES; FE3O4 NANOCRYSTALS; ROOM-TEMPERATURE; SPRAY-PYROLYSIS; MAGHEMITE; WUSTITE C1 [Martinez, Arturo I.; Garcia-Lobato, M. A.] Cinvestav Saltillo, Natl Polytech Inst, Ctr Res & Adv Studies, Ramos Arizpe 25900, Coahuila, Mexico. [Perry, Dale L.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Martinez, AI (reprint author), Cinvestav Saltillo, Natl Polytech Inst, Ctr Res & Adv Studies, Carr Saltillo Mty,Km 13, Ramos Arizpe 25900, Coahuila, Mexico. EM mtz.art@gmail.com NR 62 TC 5 Z9 5 U1 0 U2 2 PU NOVA SCIENCE PUBLISHERS, INC PI HAUPPAUGE PA 400 OSER AVE, STE 1600, HAUPPAUGE, NY 11788-3635 USA BN 978-1-60741-028-7 J9 NANOTECHNOL SCI TECH PY 2009 BP 183 EP 194 PG 12 WC Nanoscience & Nanotechnology SC Science & Technology - Other Topics GA BKU59 UT WOS:000269276600018 ER PT J AU Hanson, PJ Gunderson, CA AF Hanson, Paul J. Gunderson, Carla A. TI Root carbon flux: measurements versus mechanisms SO NEW PHYTOLOGIST LA English DT Editorial Material DE carbon; flux; mechanisms; respiration; roots; soil ID CO2; RESPIRATION; FORESTS C1 [Hanson, Paul J.; Gunderson, Carla A.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37840 USA. RP Hanson, PJ (reprint author), Oak Ridge Natl Lab, Div Environm Sci, 1 Bethel Valley Rd, Oak Ridge, TN 37840 USA. EM hansonpj@ornl.gov RI Hanson, Paul J./D-8069-2011 OI Hanson, Paul J./0000-0001-7293-3561 NR 12 TC 6 Z9 7 U1 1 U2 13 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0028-646X J9 NEW PHYTOL JI New Phytol. PY 2009 VL 184 IS 1 BP 4 EP 6 PG 3 WC Plant Sciences SC Plant Sciences GA 490XO UT WOS:000269541600002 PM 19740275 ER PT J AU Riley, WJ Gaudinski, JB Torn, MS Joslin, JD Hanson, PJ AF Riley, W. J. Gaudinski, J. B. Torn, M. S. Joslin, J. D. Hanson, P. J. TI Fine-root mortality rates in a temperate forest: estimates using radiocarbon data and numerical modeling SO NEW PHYTOLOGIST LA English DT Article DE carbon cycling; carbon isotope; fine-root turnover time; Monte Carlo simulations; numerical model; radiocarbon; root model parameterization; roots ID NORTHERN HARDWOOD FOREST; SOIL RESPIRATION; BRANCH ORDER; PINE FOREST; CARBON; TURNOVER; NITROGEN; ECOSYSTEMS; DYNAMICS; ALLOCATION AB P>We used an inadvertent whole-ecosystem 14C label at a temperate forest in Oak Ridge, Tennessee, USA to develop a model (Radix1.0) of fine-root dynamics. Radix simulates two live-root pools, two dead-root pools, non-normally distributed root mortality turnover times, a stored carbon (C) pool, and seasonal growth and respiration patterns. We applied Radix to analyze measurements from two root size classes (< 0.5 and 0.5-2.0 mm diameter) and three soil-depth increments (O horizon, 0-15 cm and 30-60 cm). Predicted live-root turnover times were < 1 yr and similar to 10 yr for short- and long-lived pools, respectively. Dead-root pools had decomposition turnover times of similar to 2 yr and similar to 10 yr. Realistic characterization of C flows through fine roots requires a model with two live fine-root populations, two dead fine-root pools, and root respiration. These are the first fine-root turnover time estimates that take into account respiration, storage, seasonal growth patterns, and non-normal turnover time distributions. The presence of a root population with decadal turnover times implies a lower amount of belowground net primary production used to grow fine-root tissue than is currently predicted by models with a single annual turnover pool. C1 [Riley, W. J.; Gaudinski, J. B.; Torn, M. S.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Gaudinski, J. B.] Univ Calif Santa Cruz, Dept Environm Studies, Santa Cruz, CA 95064 USA. [Gaudinski, J. B.] Univ Calif Berkeley, Dept Integrat Biol, Berkeley, CA 94720 USA. [Joslin, J. D.] Belowground Forest Res, Santa Elena Monteverde, Puntarenas, Costa Rica. [Torn, M. S.] Univ Calif Berkeley, Energy & Resources Grp, Berkeley, CA 94720 USA. [Hanson, P. J.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Riley, WJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM wjriley@lbl.gov RI Hanson, Paul J./D-8069-2011; Riley, William/D-3345-2015; Torn, Margaret/D-2305-2015 OI Hanson, Paul J./0000-0001-7293-3561; Riley, William/0000-0002-4615-2304; FU US Department of Energy [DE-AC02-05CH11231] FX We thank Don Todd and Heather Cooley for assistance in the field and Jessica Westbrook, Shuhui Zheng, Deborah Williard, and John Southon for help in the lab. Funding for the EBIS project was provided by the Director, Office of Science, Office of Biological and Environmental Research, Climate Change Research Division, of the US Department of Energy under Contract No. DE-AC02-05CH11231, as a part of the Terrestrial Carbon Processes (TCP) Program. EBIS project participants appreciate access to and use of Tennessee Valley Authority (TVA) land on Chestnut Ridge near the Oak Ridge Reservation allowed under Contract No. 105906 between TVA and the Oak Ridge National Laboratory. NR 53 TC 28 Z9 30 U1 3 U2 29 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0028-646X J9 NEW PHYTOL JI New Phytol. PY 2009 VL 184 IS 2 BP 387 EP 398 DI 10.1111/j.1469-8137.2009.02980.x PG 12 WC Plant Sciences SC Plant Sciences GA 499BA UT WOS:000270190300014 PM 19694965 ER PT J AU O'Brien, SL Iversen, CM AF O'Brien, Sarah L. Iversen, Colleen M. TI Missing links in the root-soil organic matter continuum SO NEW PHYTOLOGIST LA English DT Editorial Material DE Ecological Society of America; global carbon cycle; rhizosphere; root-soil organic matter; soil heterotrophs ID CARBON C1 [O'Brien, Sarah L.] Univ Illinois, Dept Biol Sci, Chicago, IL 60680 USA. [O'Brien, Sarah L.] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Iversen, Colleen M.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP O'Brien, SL (reprint author), Univ Illinois, Dept Biol Sci, Chicago, IL 60680 USA. EM sobriel@uic.edu RI O'Brien, Sarah/C-5596-2011; Iversen, Colleen/B-8983-2012 NR 13 TC 2 Z9 3 U1 0 U2 15 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0028-646X J9 NEW PHYTOL JI New Phytol. PY 2009 VL 184 IS 3 BP 513 EP 516 PG 4 WC Plant Sciences SC Plant Sciences GA 508BQ UT WOS:000270902200002 PM 19849795 ER PT J AU Sarret, G Willems, G Isaure, MP Marcus, MA Fakra, SC Frerot, H Pairis, S Geoffroy, N Manceau, A Saumitou-Laprade, P AF Sarret, Geraldine Willems, Glenda Isaure, Marie-Pierre Marcus, Matthew A. Fakra, Sirine C. Frerot, Helene Pairis, Sebastien Geoffroy, Nicolas Manceau, Alain Saumitou-Laprade, Pierre TI Zinc distribution and speciation in Arabidopsis halleri x Arabidopsis lyrata progenies presenting various zinc accumulation capacities SO NEW PHYTOLOGIST LA English DT Article DE Arabidopsis halleri; Arabidopsis lyrata; extended X-ray absorption fine structure (EXAFS) spectroscopy; interspecific crossing; micro X-ray fluorescence (mu XRF); scanning electron microscopy coupled to energy dispersive X-ray analysis (SEM-EDX) ID HYPERACCUMULATOR THLASPI-CAERULESCENS; RAY-ABSORPTION SPECTROSCOPY; ENERGY SYNCHROTRON-RADIATION; QUANTITATIVE TRAIT LOCI; METAL HYPERACCUMULATOR; EXAFS SPECTROSCOPY; CELLULAR COMPARTMENTATION; ELECTRON-MICROSCOPY; CRYSTAL-STRUCTURE; ZN SPECIATION AB P> The purpose of this study was to investigate the relationship between the chemical form and localization of zinc (Zn) in plant leaves and their Zn accumulation capacity. An interspecific cross between Arabidopsis halleri sp. halleri and Arabidopsis lyrata sp. petrea segregating for Zn accumulation was used. Zinc (Zn) speciation and Zn distribution in the leaves of the parent plants and of selected F(1) and F(2) progenies were investigated by spectroscopic and microscopic techniques and chemical analyses. A correlation was observed between the proportion of Zn being in octahedral coordination complexed to organic acids and free in solution (Zn-OAs + Zn(aq)) and Zn content in the leaves. This pool varied between 40% and 80% of total leaf Zn depending on the plant studied. Elemental mapping of the leaves revealed different Zn partitioning between the veins and the leaf tissue. The vein : tissue fluorescence ratio was negatively correlated with Zn accumulation. The higher proportion of Zn-OAs + Zn(aq) and the depletion of the veins in the stronger accumulators are attributed to a higher xylem unloading and vacuolar sequestration in the leaf cells. Elemental distributions in the trichomes were also investigated, and results support the role of carboxyl and/or hydroxyl groups as major Zn ligands in these cells. C1 [Sarret, Geraldine; Isaure, Marie-Pierre; Geoffroy, Nicolas; Manceau, Alain] Univ Grenoble 1, Environm Geochem Grp, LGIT, F-38041 Grenoble 9, France. [Sarret, Geraldine; Isaure, Marie-Pierre; Geoffroy, Nicolas; Manceau, Alain] CNRS, F-38041 Grenoble, France. [Willems, Glenda; Frerot, Helene; Saumitou-Laprade, Pierre] Univ Lille 1, CNRS, UMR 8016, Lab Genet & Evolut Populat Vegetales, F-59655 Villeneuve Dascq, France. [Marcus, Matthew A.; Fakra, Sirine C.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. [Pairis, Sebastien] Inst Neel CNRS UJF, Dept Matiere Condensee Mat & Fonct, F-38042 Grenoble 9, France. RP Sarret, G (reprint author), Univ Grenoble 1, Environm Geochem Grp, LGIT, BP 53, F-38041 Grenoble 9, France. EM geraldine.sarret@ujf-grenoble.fr RI Saumitou-Laprade, Pierre/A-2499-2009; Frerot, Helene/A-1549-2010; Beamline, FAME/G-9313-2012; Sarret, Geraldine/I-2797-2016 FU French Programme ACI/FNS/ECCO [0429]; Nord-Pas-de-Calais Region; Office of Science; Office of Basic Energy Sciences; US Department of Energy [DE-AC02-05CH11231] FX This research was supported by the French Programme ACI/FNS/ECCO (ECODYN, contract no. 0429 FNS) and by the Nord-Pas-de-Calais Region, 'Programme de Recherches Concertees'. 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. We acknowledge J. L. Hazemann and O. Proux for their assistance during EXAFS measurements. The authors thank the ESRF (Grenoble, France) and the ALS (Berkeley, USA) for the provision of beamtime. NR 65 TC 53 Z9 57 U1 5 U2 55 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0028-646X J9 NEW PHYTOL JI New Phytol. PY 2009 VL 184 IS 3 BP 581 EP 595 DI 10.1111/j.1469-8137.2009.02996.x PG 15 WC Plant Sciences SC Plant Sciences GA 508BQ UT WOS:000270902200008 PM 19761446 ER PT J AU Bernard, SM Habash, DZ AF Bernard, Stephanie M. Habash, Dimah Z. TI The importance of cytosolic glutamine synthetase in nitrogen assimilation and recycling SO NEW PHYTOLOGIST LA English DT Review DE abiotic stress; biotic stress; glutamine synthetase (GS); nitrogen metabolism; quantitative trait locus (QTL); regulation; remobilization; seed ID LEGUME MEDICAGO-TRUNCATULA; LOTUS-JAPONICUS DEFICIENT; SITE-DIRECTED MUTAGENESIS; AMINO-ACID-METABOLISM; TRITICUM-AESTIVUM L.; PHASEOLUS-VULGARIS L; ORYZA-SATIVA L.; AMMONIUM ASSIMILATION; DIFFERENTIAL EXPRESSION; MOLECULAR ANALYSIS AB Glutamine synthetase assimilates ammonium into amino acids, thus it is a key enzyme for nitrogen metabolism. The cytosolic isoenzymes of glutamine synthetase assimilate ammonium derived from primary nitrogen uptake and from various internal nitrogen recycling pathways. In this way, cytosolic glutamine synthetase is crucial for the remobilization of protein-derived nitrogen. Cytosolic glutamine synthetase is encoded by a small family of genes that are well conserved across plant species. Members of the cytosolic glutamine synthetase gene family are regulated in response to plant nitrogen status, as well as to environmental cues, such as nitrogen availability and biotic/abiotic stresses. The complex regulation of cytosolic glutamine synthetase at the transcriptional to post-translational levels is key to the establishment of a specific physiological role for each isoenzyme. The diverse physiological roles of cytosolic glutamine synthetase isoenzymes are important in relation to current agricultural and ecological issues. New Phytologist (2009) 182: 608-620doi: 10.1111/j.1469-8137.2009.02823.x. C1 [Bernard, Stephanie M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Habash, Dimah Z.] Rothamsted Res, Ctr Crop Genet Improvement, Dept Plant Sci, Harpenden AL5 2JQ, Herts, England. RP Bernard, SM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM SMBernard@lbl.gov OI Swarbreck, Stephanie M./0000-0001-8355-7354 FU Office of Science, US Department of Energy [DE-AC02-05CH11231]; Biotechnology and Biological Sciences Research Council of the UK FX We thank Professor David Ackerly (University of California, Berkeley), Professor Peter Lea (Lancaster University) and Professor Christer Jansson (Lawrence Berkeley National Laboratory) for their careful reading of the manuscript and helpful comments. S.M.B. is supported by the Climate Change Research Division, Office of Science, US Department of Energy under Contract No. DE-AC02-05CH11231. D.Z.H. is supported by Rothamsted Research, which is grant aided by the Biotechnology and Biological Sciences Research Council of the UK. NR 158 TC 139 Z9 155 U1 12 U2 101 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0028-646X J9 NEW PHYTOL JI New Phytol. PY 2009 VL 182 IS 3 BP 608 EP 620 DI 10.1111/j.1469-8137.2009.02823.x PG 13 WC Plant Sciences SC Plant Sciences GA 433TT UT WOS:000265229400006 PM 19422547 ER PT J AU Novaes, E Osorio, L Drost, DR Miles, BL Boaventura-Novaes, CRD Benedict, C Dervinis, C Yu, Q Sykes, R Davis, M Martin, TA Peter, GF Kirst, M AF Novaes, Evandro Osorio, Luis Drost, Derek R. Miles, Brianna L. Boaventura-Novaes, Carolina R. D. Benedict, Catherine Dervinis, Christopher Yu, Qibin Sykes, Robert Davis, Mark Martin, Timothy A. Peter, Gary F. Kirst, Matias TI Quantitative genetic analysis of biomass and wood chemistry of Populus under different nitrogen levels SO NEW PHYTOLOGIST LA English DT Article DE carbon allocation; carbon partitioning; nitrogen; Populus deltoides; Populus trichocarpa; quantitative trait loci (QTLs); wood quality ID X ENVIRONMENT INTERACTION; HYBRID POPLAR; CLIMATE-CHANGE; ELEVATED CO2; TRAIT LOCI; INTERSPECIFIC BACKCROSS; PHENOTYPIC PLASTICITY; LIGNIN BIOSYNTHESIS; BIOFUEL PRODUCTION; LOBLOLLY-PINE AB The genetic control of carbon allocation and partitioning in woody perennial plants is poorly understood despite its importance for carbon sequestration, biofuels and other wood-based industries. It is also unclear how environmental cues, such as nitrogen availability, impact the genes that regulate growth, biomass allocation and wood composition in trees. We phenotyped 396 clonally replicated genotypes of an interspecific pseudo-backcross pedigree of Populus for wood composition and biomass traits in above- and below-ground organs. The loci that regulate growth, carbon allocation and partitioning under two nitrogen conditions were identified, defining the contribution of environmental cues to their genetic control. Sixty-three quantitative trait loci were identified for the 20 traits analyzed. The majority of quantitative trait loci are specific to one of the two nitrogen treatments, demonstrating significant nitrogen-dependent genetic control. A highly significant genetic correlation was observed between plant growth and lignin/cellulose composition, and quantitative trait loci co-localization identified the genomic position of potential pleiotropic regulators. Pleiotropic loci linking higher growth rates to wood with less lignin are excellent targets to engineer tree germplasm improved for pulp, paper and cellulosic ethanol production. The causative genes are being identified with a genetical genomics approach. C1 [Novaes, Evandro; Osorio, Luis; Drost, Derek R.; Miles, Brianna L.; Boaventura-Novaes, Carolina R. D.; Benedict, Catherine; Dervinis, Christopher; Yu, Qibin; Martin, Timothy A.; Peter, Gary F.; Kirst, Matias] Univ Florida, Sch Forest Resources & Conservat, Gainesville, FL 32611 USA. [Drost, Derek R.; Peter, Gary F.; Kirst, Matias] Univ Florida, Plant Mol & Cellular Biol Grad Program, Gainesville, FL 32611 USA. [Sykes, Robert; Davis, Mark] US DOE, Natl Renewable Energy Lab, Golden, CO 80401 USA. [Peter, Gary F.; Kirst, Matias] Univ Florida, Genet Inst, Gainesville, FL 32611 USA. RP Kirst, M (reprint author), Univ Florida, Sch Forest Resources & Conservat, POB 110410, Gainesville, FL 32611 USA. EM mkirst@ufl.edu RI Novaes, Evandro/H-8710-2014; Boaventura-Novaes, Carolina/B-1409-2016; OI Novaes, Evandro/0000-0003-3803-0339; davis, mark/0000-0003-4541-9852; Martin, Timothy/0000-0002-7872-4194 FU Department of Energy; Office of Science; Office of Biological and Environmental Research [DE-FG02-05ER64114] FX We thank Dr Dudley A. Huber for advice on the statistical analysis of the data. This work was supported by the Department of Energy, Office of Science, Office of Biological and Environmental Research, Grant Award No. DE-FG02-05ER64114 (to M. K.). NR 60 TC 63 Z9 65 U1 1 U2 33 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0028-646X J9 NEW PHYTOL JI New Phytol. PY 2009 VL 182 IS 4 BP 878 EP 890 DI 10.1111/j.1469-8137.2009.02785.x PG 13 WC Plant Sciences SC Plant Sciences GA 443UO UT WOS:000265936500012 PM 19291008 ER PT J AU Cseke, LJ Tsai, CJ Rogers, A Nelsen, MP White, HL Karnosky, DF Podila, GK AF Cseke, Leland J. Tsai, Chung-Jui Rogers, Alistair Nelsen, Matthew P. White, Holly L. Karnosky, David F. Podila, Gopi K. TI Transcriptomic comparison in the leaves of two aspen genotypes having similar carbon assimilation rates but different partitioning patterns under elevated [CO2] SO NEW PHYTOLOGIST LA English DT Article DE CO2; free-air CO2 enrichment (FACE); genotype; microarray; Populus tremuloides ID POPULUS-TREMULOIDES MICHX.; LONG-TERM EXPOSURE; ATMOSPHERIC CO2; TROPOSPHERIC O-3; BETULA-PAPYRIFERA; GENE-EXPRESSION; TREMBLING ASPEN; AND/OR O-3; ENRICHMENT FACE; POPLAR LEAVES AB This study compared the leaf transcription profiles, physiological characteristics and primary metabolites of two Populus tremuloides genotypes (clones 216 and 271) known to differ in their responses to long-term elevated [CO2] (e[CO2]) at the Aspen free-air CO2 enrichment site near Rhinelander, WI, USA. The physiological responses of these clones were similar in terms of photosynthesis, stomatal conductance and leaf area index under e[CO2], yet very different in terms of growth enhancement (0-10% in clone 216; 40-50% in clone 271). Although few genes responded to long-term exposure to e[CO2], the transcriptional activity of leaf e[CO2]-responsive genes was distinctly different between the clones, differentially impacting multiple pathways during both early and late growing seasons. An analysis of transcript abundance and carbon/nitrogen biochemistry suggested that the CO2-responsive clone (271) partitions carbon into pathways associated with active defense/response to stress, carbohydrate/starch biosynthesis and subsequent growth. The CO2-unresponsive clone (216) partitions carbon into pathways associated with passive defense (e.g. lignin, phenylpropanoid) and cell wall thickening. This study indicates that there is significant variation in expression patterns between different tree genotypes in response to long-term exposure to e[CO2]. Consequently, future efforts to improve productivity or other advantageous traits for carbon sequestration should include an examination of genetic variability in CO2 responsiveness. C1 [Cseke, Leland J.; White, Holly L.; Podila, Gopi K.] Univ Alabama, Dept Biol Sci, Huntsville, AL 35899 USA. [Tsai, Chung-Jui] Univ Georgia, Sch Forestry & Nat Resources, Athens, GA 30602 USA. [Rogers, Alistair] Brookhaven Natl Lab, Dept Environm Sci, Upton, NY 11973 USA. [Rogers, Alistair] Univ Illinois, Dept Crop Sci, Urbana, IL 61801 USA. [Nelsen, Matthew P.; Karnosky, David F.] Michigan Technol Univ, Sch Forest Resources & Environm Sci, Houghton, MI 49931 USA. RP Podila, GK (reprint author), Univ Alabama, Dept Biol Sci, Huntsville, AL 35899 USA. EM podilag@uah.edu RI Tsai, CJ/C-2450-2009; Rogers, Alistair/E-1177-2011 OI Tsai, CJ/0000-0002-9282-7704; Rogers, Alistair/0000-0001-9262-7430 FU US Department of Energy's Office of Biological and Environmental Research [DEFG02-04ER63792, DE-FG02-95ER62125, DE- AC02-98CH10886] FX This work was sponsored primarily by the US Department of Energy's Office of Biological and Environmental Research, Grant No. DEFG02-04ER63792. Operations of Aspen FACE are principally supported by the US Department of Energy's Office of Biological and Environmental Research, Grant No. DE-FG02-95ER62125. A. R. was supported in part by the US Department of Energy Office of Science Contract No. DE- AC02-98CH10886 to Brookhaven National Laboratory. We would like to thank Dr Ramesh Thakur for his help in collecting Aspen FACE Site tissues used in this study. We would also like to thank Scott Harding and Michelle Jarvie for their assistance with RNA extractions for quantitative RTPCR analysis. We thank Dr Francis Martin and Dr Silvia Fluch for supplying the PICME annotation files used in this study. The ESTs printed on the PICME poplar arrays were produced by INRA-Nancy (Rinaldi et al., 2007), INRAOrleans (Dejardin et al., 2004) and the University of Helsinki (Brosche et al., 2005) within the framework of the LIGNOME and ESTABLISH programmes, respectively. NR 63 TC 30 Z9 31 U1 1 U2 36 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0028-646X J9 NEW PHYTOL JI New Phytol. PY 2009 VL 182 IS 4 BP 891 EP 911 DI 10.1111/j.1469-8137.2009.02812.x PG 21 WC Plant Sciences SC Plant Sciences GA 443UO UT WOS:000265936500013 PM 19383098 ER PT J AU Yin, TM Zhang, XY Gunter, LE Li, SX Wullschleger, SD Huang, MR Tuskan, GA AF Yin, T. M. Zhang, X. Y. Gunter, L. E. Li, S. X. Wullschleger, S. D. Huang, M. R. Tuskan, G. A. TI Microsatellite primer resource for Populus developed from the mapped sequence scaffolds of the Nisqually-1 genome SO NEW PHYTOLOGIST LA English DT Article DE allelic variability; amplification rate; microsatellites; Populus; simple sequence repeat (SSR) primers ID DROSOPHILA-MELANOGASTER; MUTATION-RATES; GENETIC-MAP; GC CONTENT; CONSERVATION; REPEATS; LENGTH; LOCI; TRI; DI AB In this study, 148 428 simple sequence repeat (SSR) primer pairs were designed from the unambiguously mapped sequence scaffolds of the Nisqually-1 genome. The physical position of the priming sites were identified along each of the 19 Populus chromosomes, and it was specified whether the priming sequences belong to intronic, intergenic, exonic or UTR regions. A subset of 150 SSR loci were amplified and a high amplification success rate (72%) was obtained in P. tremuloides, which belongs to a divergent subgenus of Populus relative to Nisqually-1. PCR reactions showed that the amplification success rate of exonic primer pairs was much higher than that of the intronic/intergenic primer pairs. Applying ANOVA and regression analyses to the flanking sequences of microsatellites, the repeat lengths, the GC contents of the repeats, the repeat motif numbers, the repeat motif length and the base composition of the repeat motif, it was determined that only the base composition of the repeat motif and the repeat motif length significantly affect the microsatellite variability in P. tremuloides samples. The SSR primer resource developed in this study provides a database for selecting highly transferable SSR markers with known physical position in the Populus genome and provides a comprehensive genetic tool to extend the genome sequence of Nisqually-1 to genetic studies in different Populus species. New Phytologist (2009) 181: 498-503doi: 10.1111/j.1469-8137.2008.02663.x. C1 [Yin, T. M.; Zhang, X. Y.; Gunter, L. E.; Wullschleger, S. D.; Tuskan, G. A.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Li, S. X.; Huang, M. R.] Nanjing Forestry Univ, Key Lab Forest Genet & Gene Engn, Nanjing, Peoples R China. RP Tuskan, GA (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM gtk@ornl.gov RI Tuskan, Gerald/A-6225-2011; Wullschleger, Stan/B-8297-2012; Gunter, Lee/L-3480-2016 OI Tuskan, Gerald/0000-0003-0106-1289; Wullschleger, Stan/0000-0002-9869-0446; Gunter, Lee/0000-0003-1211-7532 FU Educational Department of China [NCET-04-0516]; Laboratory Directed Research; Development Program of Oak Ridge National Laboratory (ORNL); US Department of Energy, Office of Science, Biological and Environmental Research Carbon Sequestration Program; Bioenergy Science Center; US Department of Energy [DE-AC05-00OR22725] FX We thank M. Schuster at the University of Tennessee for establishing the web resources, Dr J. Armento in Oak Ridge for his comments and editing for this manuscript, and R. M. Tuskan for perspectives on objectives and procedures. Special thanks go to the editor and anonymous reviewers for their help in formulating the final revision. Funding for this research was provided by the Educational Department of China (NCET-04-0516), the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory (ORNL) and the US Department of Energy, Office of Science, Biological and Environmental Research Carbon Sequestration Program and Bioenergy Science Center. ORNL is managed by UT-Battelle, LLC for the US Department of Energy under contract no. DE-AC05-00OR22725. NR 23 TC 24 Z9 32 U1 0 U2 8 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0028-646X J9 NEW PHYTOL JI New Phytol. PY 2009 VL 181 IS 2 BP 498 EP 503 DI 10.1111/j.1469-8137.2008.02663.x PG 6 WC Plant Sciences SC Plant Sciences GA 385DI UT WOS:000261792900024 PM 19121044 ER PT S AU Nahar, SN Oelgoetz, J Pradhan, AK AF Nahar, Sultana N. Oelgoetz, Justin Pradhan, Anil K. BE Dagostino, MC Bertone, E Gonzalez, DR TI Recombination rates, Resonance Strengths and Line Profiles of Dielectronic Satellite Lines of He-like Ca, Fe, Ni SO NEW QUESTS IN STELLAR ASTROPHYSICS II: ULTRAVIOLET PROPERTIES OF EVOLVED STELLAR POPULATIONS SE Astrophysics and Space Science Proceedings LA English DT Proceedings Paper CT International Conference on Untraviolet Properties of Evolved Stellar Populations CY APR 16-20, 2007 CL Puerto Vallarta, MEXICO SP Inst Nacl Astrofis, Opt & Elect, Univ Guadalajara ID ELECTRON-ION RECOMBINATION; CROSS-SECTIONS; SPECTRA AB Dielectronic satellite (DES) lines arising from the radiative decay of ions with excited cores are used as diagnostics of the plasma conditions found in astronomical objects. In collisional plasmas, the most common DES lines are due to an electron being dielectronically captured by a He-like ion, forming a 3-electron, Li-like ion in a doubly excited, autoionizing state (i.e. 1s2l2l' (KLL), 1s2l3l' (KLM), etc). These states can decay to bound levels by emitting a photon, completing a process known as dielectronic recombination (DR). The autoionizing KLL complex gives rise to 22 DES lines, labeled 'a' through 'v', via transitions of the type 1s2l2l' -> 1s(2)2l. These lines are seen at energies lower than the He-like resonance line (1s2p(P-1(1)0) -> 1s(2)(S-1(0)) - which is also referred to as the 'w' line). The unified recombination method, which treats photoionization and electron-ion recombination in a mariner which couples autoionizing states to the continuum, has been extended to study the DES lines of the highly charged ions Ca XVIII, Fe XXIV, and Ni XXVI. In contrast to obtaining a single energy point for a DES line (as is the case for existing theoretical approaches based on the isolated resonance approximation - IRA), the unified method: (i) provides detailed profiles of DES lines, including the blending of lines which occurs in nature, (ii) includes the background contribution of radiative recombination (RR), and (iii) provides a simple relation between the resonance strengths and recombination rates of narrow lines which is useful for astrophysical modeling. C1 [Nahar, Sultana N.; Pradhan, Anil K.] Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. [Oelgoetz, Justin] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Nahar, SN (reprint author), Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. EM nahar@astronomy.ohio-state.edu; oelgoetz@lanl.gov; pradhan@astronomy.ohio-state.edu NR 8 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 1570-6591 BN 978-0-387-87620-7 J9 ASTROPHYSICS SPACE PY 2009 BP 259 EP + DI 10.1007/978-0-387-87621-4_35 PG 2 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BJE77 UT WOS:000265216200035 ER PT S AU Greenhouse, NA AF Greenhouse, N. Anthony BE Aycik, GA TI PRACTICAL INSTRUMENTATION CONSIDERATIONS WHEN PLANNING A RADIATION MONITORING PROGRAM FOR THE FIELD AND THE LABORATORY SO NEW TECHNIQUES FOR THE DETECTION OF NUCLEAR AND RADIOACTIVE AGENTS SE NATO Science for Peace and Security Series B - Physics and Biophysics LA English DT Proceedings Paper CT NATO Advanced Training Cource in New Techniques for the Detection of Nuclear and Radioactive Agents CY MAY 26-30, 2008 CL Mugla, TURKEY SP NATO DE Radiation monitoring; detectors; Marshall Islands; survey instruments AB Very often the selection of appropriate radiation monitoring instruments is beset by budgetary constraints. In these situations it is helpful to select instruments which can cover both needs without unduly burdening either setting. A review of basic radiation Survey instruments along with their application to monitoring in a laboratory setting or an Outdoor setting was conducted. Their use in the Marshall Islands demonstrates that in general no special care need be taken for use of survey instruments in the field. Thus, with the possible exclusion of alpha monitors, the Survey instrument collection can be universally applied as long as the detection limitations of some instruments are considered. Several instrument detector types will be discussed, including G-M counters, scintillation detectors, and pressurized ionization chambers. C1 Berkeley Labs, Oakland, CA 94610 USA. RP Greenhouse, NA (reprint author), Berkeley Labs, 788 Mickinley Ave, Oakland, CA 94610 USA. EM nagreenhouse@envirhealth.com NR 10 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI DORDRECHT PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS SN 1871-465X BN 978-1-4020-9598-6 J9 NATO SCIENCE PEACE S PY 2009 BP 163 EP 172 DI 10.1007/978-1-4020-9600-6_14 PG 10 WC Chemistry, Inorganic & Nuclear; Environmental Sciences; Instruments & Instrumentation; Spectroscopy SC Chemistry; Environmental Sciences & Ecology; Instruments & Instrumentation; Spectroscopy GA BJE48 UT WOS:000265174000014 ER PT S AU Greenhouse, NA AF Greenhouse, N. Anthony BE Aycik, GA TI GAMMA SPECTROMETRY IN THE FIELD SO NEW TECHNIQUES FOR THE DETECTION OF NUCLEAR AND RADIOACTIVE AGENTS SE NATO Science for Peace and Security Series B - Physics and Biophysics LA English DT Proceedings Paper CT NATO Advanced Training Cource in New Techniques for the Detection of Nuclear and Radioactive Agents CY MAY 26-30, 2008 CL Mugla, TURKEY SP NATO DE Gamma spectroscopy; radiation; environment; GE and HPGe ID GREEK DWELLINGS; INDOOR RADON AB The portability and speed of personal computers and the availability of germanium detectors and Dewar's have made gamma ray spectrometry in the field a functional reality. Software developers continue to write appropriate interfaces making it a relatively easy task to do spectrometry outdoors, and often in environments that 20 years ago would have been prohibitive. This paper is intended to generate discussions on the applications of gamma ray spectrometry in environmental situations. C1 Berkeley Labs, Oakland, CA 94610 USA. RP Greenhouse, NA (reprint author), Berkeley Labs, 788 Mickinley Ave, Oakland, CA 94610 USA. EM nagreenhouse@envirhealth.com NR 6 TC 0 Z9 0 U1 1 U2 3 PU SPRINGER PI DORDRECHT PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS SN 1871-465X BN 978-1-4020-9598-6 J9 NATO SCIENCE PEACE S PY 2009 BP 173 EP 180 DI 10.1007/978-1-4020-9600-6_15 PG 8 WC Chemistry, Inorganic & Nuclear; Environmental Sciences; Instruments & Instrumentation; Spectroscopy SC Chemistry; Environmental Sciences & Ecology; Instruments & Instrumentation; Spectroscopy GA BJE48 UT WOS:000265174000015 ER PT S AU Stockinger, K Cieslewicz, J Wu, KS Rotem, D Shoshani, A AF Stockinger, Kurt Cieslewicz, John Wu, Kesheng Rotem, Doron Shoshani, Arie BE Kozielski, S Wrembel, R TI Using Bitmap Index for Joint Queries on Structured and Text Data SO NEW TRENDS IN DATA WAREHOUSING AND DATA ANALYSIS SE Annals of Information Systems LA English DT Article; Book Chapter ID INVERTED FILES; COMPRESSION; TECHNOLOGY AB The database and the information retrieval communities have been working on separate sets of techniques for querying structured data and text data, but there is a growing need to handle these types of data together. In this paper, we present a strategy to efficiently answer joint queries on both types of data. By using an efficient compression algorithm, our compressed bitmap indexes, called FastBit, are compact even when they contain millions of bitmaps. Therefore FastBit can be applied effectively on hundreds of thousands of terms over millions of documents. Bitmap indexes are designed to take advantage of data that only grows but does not change over time (append-only data), and thus are just as effective with append-only text archives. In a performance comparison against a commonly used database system with a full-text index, MySQL, we demonstrate that our indexes answer queries 50 times faster on average. Furthermore, we demonstrate that integrating FastBit with a open source database system, called MonetDB, yields similar performance gains. Since the integrated MonetDB/FastBit system provides the full SQL functionality, the overhead of supporting SQL is not the main reason for the observed performance differences. Therefore, using FastBit in other database systems can offer similar performance advantages. C1 [Cieslewicz, John] Columbia Univ, Dept Comp Sci, New York, NY 10027 USA. [Stockinger, Kurt; Wu, Kesheng; Rotem, Doron; Shoshani, Arie] Univ Calif, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA USA. RP Stockinger, K (reprint author), Univ Calif, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA USA. EM kurt.stockinger@gmail.com; johnc@cs.columbia.edu; KWu@lbl.gov; D_Rotem@lbl.gov; AShoshani@lbl.gov NR 47 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 1934-3221 BN 978-0-387-87431-9 J9 ANN INFORM SYST PY 2009 VL 3 BP 187 EP 209 D2 10.1007/978-0-387-87431-9 PG 23 WC Business; Computer Science, Information Systems; Computer Science, Interdisciplinary Applications; Management; Operations Research & Management Science SC Business & Economics; Computer Science; Operations Research & Management Science GA BLN69 UT WOS:000270597200009 ER PT B AU Shekhar, S Vatsavai, RR Celik, M AF Shekhar, Shashi Vatsavai, Ranga Raju Celik, Mete BE Kargupta, H Han, J Yu, PS Motwani, R Kumar, V TI Spatial and Spatiotemporal Data Mining: Recent Advances SO NEXT GENERATION OF DATA MINING SE Chapman & Hall-CRC Data Mining and Knowledge Discovery Series LA English DT Article; Book Chapter ID MARKOV RANDOM-FIELDS; REMOTELY SENSED DATA; CONTEXTUAL CLASSIFICATION; MODEL C1 [Shekhar, Shashi; Celik, Mete] Univ Minnesota, Dept Comp Sci & Engn, Minneapolis, MN 55455 USA. [Vatsavai, Ranga Raju] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Shekhar, S (reprint author), Univ Minnesota, Dept Comp Sci & Engn, Minneapolis, MN 55455 USA. NR 76 TC 4 Z9 4 U1 0 U2 0 PU CHAPMAN & HALL/CRC PRESS PI BOCA RATON PA 6000 BROKEN SOUND PKWY, NW, STE 300, BOCA RATON, FL 33487 USA BN 978-1-4200-8586-0 J9 CH CRC DATA MIN KNOW PY 2009 BP 549 EP 583 PG 35 WC Computer Science, Artificial Intelligence; Computer Science, Information Systems; Computer Science, Theory & Methods SC Computer Science GA BJR30 UT WOS:000267022300026 ER PT S AU Cui, XH St Charles, J Potok, TE AF Cui, Xiaohui St Charles, Jesse Potok, Thomas E. BE Krasnogor, N MelianBatista, MB Perez, JAM MorenoVega, JM Pelta, DA TI A Simple Distributed Particle Swarm Optimization for Dynamic and Noisy Environments SO NICSO 2008: NATURE INSPIRED COOPERATIVE STRATEGIES FOR OPTIMIZATION SE Studies in Computational Intelligence LA English DT Proceedings Paper CT International Workshop on Nature Inspired Cooperative Strategies for Optimization ( NICSO 2008) CY 2008 CL Tenerife, SPAIN SP Univ Laguna, Carnary Govt, Spanish Govt AB In this paper, we present a Simple Distributed Particle Swarm Optimization (SDPSO) algorithm that can be used to track the optimal solution in a dynamic and noisy environment. The classic PSO algorithm lacks the ability to track changing optimum in a dynamic environment. Several approaches have been investigated to enhance the PSO algorithm's ability in dynamic environments. However, in dealing with dynamic environments, these approaches have lost PSO's original strengths of! decentralized control and ease of implementation. The SDPSO algorithm proposed in this paper maintains these classic PSO features as well as provides the optimum result tracking capability in dynamic environments. In this research, the DF1 multimodal dynamic environment generator proposed by Morrison and De Jong is used to evaluate the classic PSO, SDPSO and other two adaptive PSOs. C1 [Cui, Xiaohui; Potok, Thomas E.] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA. [St Charles, Jesse] Univ Tennessee, Dept Comp Sci & Engn, Chattanooga, TN 37403 USA. [Potok, Thomas E.] Oak Ridge Natl Lab, Computat Sci Engn Div, Oak Ridge, TN 37831 USA. RP Cui, XH (reprint author), Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA. EM cuix@ornl.gov; jesse-stcharles@utc.edu; potokte@ornl.gov OI Potok, Thomas/0000-0001-6687-3435 NR 16 TC 7 Z9 7 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1860-949X BN 978-3-642-03210-3 J9 STUD COMPUT INTELL PY 2009 VL 236 BP 89 EP + PG 3 WC Computer Science, Artificial Intelligence; Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BNL29 UT WOS:000274849000008 ER PT S AU Marksteiner, QR Pedersen, TS Berkery, JW Hahn, MS Mendez, JM de Gevigney, BD Ennever, P Boyle, D Shulman, M Himura, H AF Marksteiner, Q. R. Pedersen, T. Sunn Berkery, J. W. Hahn, M. S. Mendez, J. M. de Gevigney, B. Durand Ennever, P. Boyle, D. Shulman, M. Himura, H. BE Danielson, JR Pedersen, TS TI Studies of a Parallel Force Balance Breaking Instability in a Stellarator SO NON-NEUTRAL PLASMA PHYSICS VII SE AIP Conference Proceedings LA English DT Proceedings Paper CT 9th International Workshop on Non-Neutral Plasmas CY JUN 16-20, 2008 CL Columbia Univ, New York, NY SP Natl Sci Fdn HO Columbia Univ DE Non-neutral plasmas; pure-electron plasmas; instability; magnetic surfaces; stellarator; trapped particles ID MAGNETIC-SURFACES; PLASMAS AB An instability has been observed in non-neutral plasmas confined on magnetic surfaces in the presence of a finite ion fraction [Phys. Rev. Letters 100, 065002 (2008)]. The dependence of the frequency and amplitude of the instability on neutral pressure, magnetic field strength, and ion species show that the mode consists of interacting perturbations of ions and electrons. In the Columbia Non-neutral Torus (CNT) the instability has a poloidat mode number or m=1. This does not correspond to a rational surface, implying that the parallel force balance of the electron fluid is broken. Here the diagnostic methods used to study this instability are described in detail, and some key results are shown. C1 [Marksteiner, Q. R.] Los Alamos Natl Lab, ISR-6, Los Alamos, NM 87545 USA. [Shulman, M.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. [Himura, H.] Kyoto Inst Technol, Dept Elect, Kyoto 6068585, Japan. RP Marksteiner, QR (reprint author), Los Alamos Natl Lab, ISR-6, Los Alamos, NM 87545 USA. RI Hahn, Michael /A-6038-2013 NR 12 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0651-3 J9 AIP CONF PROC PY 2009 VL 1114 BP 63 EP + PG 2 WC Physics, Fluids & Plasmas SC Physics GA BJK71 UT WOS:000266718200009 ER PT J AU Veilleux, JP Moosman, PR Reynolds, DS LaGory, KE Walston, LJ AF Veilleux, Jacques Pierre Moosman, Paul R., Jr. Reynolds, D. Scott LaGory, Kirk E. Walston, Leroy J., Jr. TI Observations of Summer Roosting and Foraging Behavior of a Hoary Bat (Lasiurus cinereus) in Southern New Hampshire SO NORTHEASTERN NATURALIST LA English DT Article ID RED BATS; SELECTION; LASIONYCTERIS AB Few data are available that describe the roosting and foraging ecology of the Hoary Bat (Lasiurus cinereus), and no such data are available for the northeastern United States. We captured a juvenile Hoary Bat in south-central New Hampshire during July of 2007 and monitored its roosting behavior for ten days and its foraging behavior for one night. The bat roosted with two other bats, which we presumed were its mother and sibling. These bats roosted exclusively in Tsuga canadensis (Eastern Hemlock Tree) and tended to roost near tree tops in the forest canopy. The radiotagged bat used at least six roost trees and changed roost location eight times during the ten-day observation period. Although roost-tree fidelity was low, all roost trees were located within a maximum circular area of 0.5 ha. The bat foraged over an estimated 156-ha area of mostly forest habitat (68%), with additional open habitats (15%) and wetlands (17%). These data are the first observations of roosting and foraging behaviors by the Hoary Bat in the northeastern region of its geographic range. C1 [Veilleux, Jacques Pierre] Franklin Pierce Univ, Dept Biol, Rindge, NH 03461 USA. [Moosman, Paul R., Jr.] Virginia Mil Inst, Dept Biol, Lexington, VA 24450 USA. [Reynolds, D. Scott] St Pauls Sch, Div Sci, Concord, NH 03301 USA. [LaGory, Kirk E.; Walston, Leroy J., Jr.] Argonne Natl Lab, Div Environm Sci, Argonne, IL 60439 USA. RP Veilleux, JP (reprint author), Franklin Pierce Univ, Dept Biol, Rindge, NH 03461 USA. EM veilleuxj@franklinpierce.edu FU US Department of Defense, US Air Force, through US Department of Energy [DE-AC02-06CH11357] FX This work was supported under a military interdepartmental purchase request from the US Department of Defense, US Air Force, through US Department of Energy contract DE-AC02-06CH11357. NR 20 TC 1 Z9 1 U1 2 U2 10 PU HUMBOLDT FIELD RESEARCH INST PI STEUBEN PA PO BOX 9, STEUBEN, ME 04680-0009 USA SN 1092-6194 EI 1938-5307 J9 NORTHEAST NAT JI Northeast. Nat PY 2009 VL 16 IS 1 BP 148 EP 152 DI 10.1656/045.016.0113 PG 5 WC Biodiversity Conservation; Ecology SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 434MJ UT WOS:000265278500013 ER PT J AU Wyman, MD Chapman, BE Ahn, JW Almagri, AF Anderson, JK Bonomo, F Brower, DL Combs, SK Craig, D Den Hartog, DJ Deng, BH Ding, WX Ebrahimi, F Ennis, DA Fiksel, G Foust, CR Franz, P Gangadhara, S Goetz, JA O'Connell, R Oliva, SP Prager, SC Reusch, JA Sarff, JS Stephens, HD Yates, T AF Wyman, M. D. Chapman, B. E. Ahn, J. W. Almagri, A. F. Anderson, J. K. Bonomo, F. Brower, D. L. Combs, S. K. Craig, D. Den Hartog, D. J. Deng, B. H. Ding, W. X. Ebrahimi, F. Ennis, D. A. Fiksel, G. Foust, C. R. Franz, P. Gangadhara, S. Goetz, J. A. O'Connell, R. Oliva, S. P. Prager, S. C. Reusch, J. A. Sarff, J. S. Stephens, H. D. Yates, T. TI Plasma behaviour at high beta and high density in the Madison Symmetric Torus RFP SO NUCLEAR FUSION LA English DT Article ID REVERSED-FIELD PINCH; POLOIDAL CURRENT DRIVE; HYDROGEN PELLET INJECTION; ENERGY CONFINEMENT; RUNAWAY ELECTRONS; SUYDAM CRITERION; DIII-D; TRANSPORT; DISCHARGES; RECONSTRUCTION AB Pellet fuelling of improved confinement Madison Symmetric Torus (MST) plasmas has resulted in high density and high plasma beta. The density in improved confinement discharges has been increased fourfold, and a record plasma beta (beta(tot) = 26%) for the improved confinement reversed-field pinch (RFP) has been achieved. At higher beta, a new regime for instabilities is accessed in which local interchange and global tearing instabilities are calculated to be linearly unstable, but experimentally, no severe effect, e. g., a disruption, is observed. The tearing instability, normally driven by the current gradient, is driven by the pressure gradient in this case, and there are indications of increased energy transport ( as compared with low-density improved confinement). Pellet fuelling is also compared with enhanced edge fuelling of standard confinement RFP discharges for the purpose of searching for a density limit in MST. In standard-confinement discharges, pellet fuelling peaks the density profile where edge fuelling cannot, but transport appears unchanged. For a limited range of plasma current, MST discharges with edge fuelling are constrained to a maximum density corresponding to the Greenwald limit. This limit is surpassed in pellet-fuelled improved confinement discharges. C1 [Wyman, M. D.; Chapman, B. E.; Ahn, J. W.; Almagri, A. F.; Anderson, J. K.; Craig, D.; Den Hartog, D. J.; Ebrahimi, F.; Ennis, D. A.; Fiksel, G.; Gangadhara, S.; Goetz, J. A.; O'Connell, R.; Oliva, S. P.; Prager, S. C.; Reusch, J. A.; Sarff, J. S.; Stephens, H. D.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Bonomo, F.; Franz, P.] Consorzio RFX, I-35127 Padua, Italy. [Brower, D. L.; Deng, B. H.; Ding, W. X.; Yates, T.] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. [Combs, S. K.; Foust, C. R.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Craig, D.] Wheaton Coll, Wheaton, IL 60187 USA. RP Wyman, MD (reprint author), Tri Alpha Energy, Rancho Santa Margarita, CA 92688 USA. EM mwyman@trialphaenergy.com OI Ebrahimi, Fatima/0000-0003-3109-5367 FU US Department of Energy FX This work is supported by the US Department of Energy. NR 51 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 JAN PY 2009 VL 49 IS 1 AR 015003 DI 10.1088/0029-5515/49/1/015003 PG 16 WC Physics, Fluids & Plasmas SC Physics GA 404XL UT WOS:000263186200005 ER PT J AU Papadimitriou, V AF Papadimitriou, Vaia TI Luminosity measurements at hadron colliders SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Luminosity; Hadron; Tevatron; HERA; LHC AB In this paper, we discuss luminosity measurements at Tevatron and HERA, as well as plans for luminosity measurements at LHC. We discuss luminosity measurements using the luminosity detectors of the experiments as well as measurements by the machine. We address uncertainties of the measurements, challenges and lessons learned. (C) 2008 Elsevier B.V. All rights reserved. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Papadimitriou, V (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM vaia@fnal.gov NR 20 TC 1 Z9 1 U1 0 U2 1 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 JAN 1 PY 2009 VL 598 IS 1 BP 14 EP 18 DI 10.1016/j.nima.2008.08.109 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 397KV UT WOS:000262662500005 ER PT J AU Cooper, WE AF Cooper, W. E. CA Do Collaboration TI The D0 silicon tracker SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Silicon; Micro-strip; Tracker; Detector AB The D0 silicon micro-strip tracker, which was installed for Run II of the Fermilab Collider. and an inner silicon micro-strip layer 0, which was installed for Run IIb of the Collider, are described. (C) 2008 Elsevier B.V. All rights reserved. C1 [Cooper, W. E.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Cooper, WE (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM cooper@fnal.gov NR 3 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 JAN 1 PY 2009 VL 598 IS 1 BP 41 EP 45 DI 10.1016/j.nima.2008.08.065 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 397KV UT WOS:000262662500010 ER PT J AU Eusebi, R AF Eusebi, Ricardo CA CDF Run II Silicon Grp TI Operational experience with the CDF Run II silicon detector SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE Silicon; Detector; Vertex; Aging; Radiation damage AB The Collider Detector at Fermilab (CDF) Run II silicon detector is currently the largest operating silicon detector in High Energy Physics. Its 750,000 channels, spread over 6 m(2) of p-on-n silicon sensors, and allow precision tracking of charged particles and vertexing at the 50 mu m level. The CDF Run II silicon detector is fundamental for all branches of the CDF physics program. It played a critical role in the discovery of B(s) mixing and is used extensively for the current Higgs boson searches at the forefront of the energy frontier. Over the last 6 years, the detector efficiency has remained stable above 95% after the Run II commissioning period. While originally designed to withstanding up to 3 fb(-1) of data, the CDF II silicon detector will have to last to the end of Run II where 5-8 fb(-1) of data are expected to be delivered. This letter presents the observed effects of infrastructure aging and the solutions implemented to prevent them. followed by the assessment on radiation damage and expected performance to the end of the Tevatron Run II program. The radiation aging of such a large scale system is particular relevant for future silicon detectors in hadronic colliders as LHC. (C) 2008 Elsevier B.V. All rights reserved. C1 [Eusebi, Ricardo] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Eusebi, R (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM eusebi@fnal.gov NR 11 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 JAN 1 PY 2009 VL 598 IS 1 BP 50 EP 53 DI 10.1016/j.nima.2008.08.082 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 397KV UT WOS:000262662500012 ER PT J AU Abulencia, A Azzurri, P Cochran, E Cox, C Cox, D Dittmann, J Donati, S Efron, J Erbacher, R Errede, D Fedorko, I Flanagan, G Forrest, R Gerberich, H Gartner, J Hewamanage, S Holm, S Hughes, R Ivanov, A Jones, T Johnson, M Junk, T Kasten, M Kilminster, B Klein, R Krumnack, N Lannon, K Levine, S Lister, A Mckim, J Mokos, R Olivito, D Parks, B Pitts, K Rogers, E Sartori, L Schmidt, E Scott, L Shaw, T Slaunwhite, J Soha, A Veramendi, G Wilson, PJ Wilson, JS Winer, B AF Abulencia, A. Azzurri, P. Cochran, E. Cox, C. Cox, D. Dittmann, J. Donati, S. Efron, J. Erbacher, R. Errede, D. Fedorko, I. Flanagan, G. Forrest, R. Gerberich, H. Gartner, J. Hewamanage, S. Holm, S. Hughes, R. Ivanov, A. Jones, T. Johnson, M. Junk, T. Kasten, M. Kilminster, B. Klein, R. Krumnack, N. Lannon, K. Levine, S. Lister, A. McKim, J. Mokos, R. Olivito, D. Parks, B. Pitts, K. Rogers, E. Sartori, L. Schmidt, E. Scott, L. Shaw, T. Slaunwhite, J. Soha, A. Veramendi, G. Wilson, P. J. Wilson, J. S. Winer, B. TI eXtremely Fast Tracker trigger upgrade at CDF SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE CDF; eXtremely Fast Tracker; Trigger; Tevatron AB The CIDF II eXtremely Fast Tracker (XFT) is a trigger processor which reconstructs charged particle tracks in the transverse plane of the central tracking chamber. The XFT tracks are also extrapolated to the electromagnetic calorimeter and muon chambers to generate trigger electron and muon candidates. The XFT is crucial for the entire CDF II physics program: it detects high P(t) lepton from WIZ and heavy flavors decay and, in conjunction with the level 2 processor, it identifies secondary vertices from beauty decay. The XFT has thus been crucial for the recent measurement of the B(5)(0) oscillation and Sigma(b). The increase of the Tevatron instantaneous luminosity demanded an upgrade of the system to cope with the higher occupancy of the chamber. In the upgraded XFT three-dimensional tracking reduces the level of fake tracks and measures the longitudinal track parameters, which strongly reinforce the trigger selection. This allows to maintain the trigger perfectly efficient at the record luminosities 2-3 x 10(32) cm(-2) s(-1) and to maintain intact the CDF II high luminosity physics program, which includes the Higgs search. In this paper we review the architecture, the used technology, the performance and the impact of the upgraded XFT on the entire CDF II trigger strategy. (C) 2008 Elsevier B.V. All rights reserved. C1 [Azzurri, P.; Donati, S.; Fedorko, I.; Sartori, L.] Univ Pisa, Siena & Scuola Normale Super, Ist Nazl Fis Nucl, I-56127 Pisa, Italy. [Abulencia, A.; Errede, D.; Gerberich, H.; Junk, T.; Kasten, M.; Levine, S.; Mokos, R.; Pitts, K.; Rogers, E.; Veramendi, G.] Univ Illinois, Urbana, IL 61801 USA. [Cochran, E.; Efron, J.; Gartner, J.; Hughes, R.; Johnson, M.; Kilminster, B.; Lannon, K.; McKim, J.; Olivito, D.; Parks, B.; Slaunwhite, J.; Winer, B.] Ohio State Univ, Columbus, OH 43210 USA. [Cox, C.; Cox, D.; Erbacher, R.; Forrest, R.; Ivanov, A.; Lister, A.; Soha, A.] Univ Calif Davis, Davis, CA 95616 USA. [Dittmann, J.; Hewamanage, S.; Krumnack, N.; Wilson, J. S.] Baylor Univ, Waco, TX 76796 USA. [Flanagan, G.; Jones, T.] Purdue Univ, W Lafayette, IN 47907 USA. [Holm, S.; Klein, R.; Schmidt, E.; Scott, L.; Shaw, T.; Wilson, P. J.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Sartori, L (reprint author), Univ Pisa, Siena & Scuola Normale Super, Ist Nazl Fis Nucl, I-56127 Pisa, Italy. EM sartori@fnal.gov RI Ivanov, Andrew/A-7982-2013 OI Ivanov, Andrew/0000-0002-9270-5643 NR 9 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 JAN 1 PY 2009 VL 598 IS 1 BP 328 EP 330 DI 10.1016/j.nima.2008.08.034 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 397KV UT WOS:000262662500077 ER PT J AU Bhatti, A Canepa, A Casarsa, M Convery, M Cortiana, G Dell'Orso, M Donati, S Flanagan, G Frisch, H Fukun, T Krop, D Giannetti, P Greco, V Jones, M Liu, T Lucchesi, D Pagan-Griso, S Pantano, D Pianori, E Piendibene, M Pilcher, C Ristori, L Rogondino, L Rusu, V Sartori, L Schmidt, M Veszpremi, V Vidal, M Zhou, L AF Bhatti, A. Canepa, A. Casarsa, M. Convery, M. Cortiana, G. Dell'Orso, M. Donati, S. Flanagan, G. Frisch, H. Fukun, T. Krop, D. Giannetti, P. Greco, V. Jones, M. Liu, T. Lucchesi, D. Pagan-Griso, S. Pantano, D. Pianori, E. Piendibene, M. Pilcher, C. Ristori, L. Rogondino, L. Rusu, V. Sartori, L. Schmidt, M. Veszpremi, V. Vidal, M. Zhou, L. TI The CDF level 2 calorimetric trigger upgrade SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE CDF; L2Cal; Trigger ID ELECTROMAGNETIC CALORIMETER AB CDF 11 upgraded the calorimeter trigger to cope with the higher detector occupancy due to the increased Tevatron instantaneous luminosity (similar to 2.8 x 10(32) cm(-2) s(-1)). While the original system was implemented in custom hardware and provided to the L2 trigger a limited-quality jet clustering performed using a reduced resolution measurement of the transverse energy in the calorimeter trigger towers, the upgraded system provides offline-quality jet reconstruction of the full resolution calorimeter data. This allows to keep better under control the dependence of the trigger rates on the instantaneous luminosity and to improve the efficiency and purity of the trigger selections. The upgraded calorimeter trigger uses the general purpose VME board Pulsar, developed at CDF 11 and already widely used to upgrade the L2 tracking and L2 decision systems. A battery of Pulsars is used to merge and send the calorimeter data to the L2 CPUs, where software-implemented algorithms perform offline-like clustering. In this paper we review the design and the performance of the upgraded system. (C) 2008 Elsevier B.V. All rights reserved. C1 [Casarsa, M.; Dell'Orso, M.; Donati, S.; Giannetti, P.; Greco, V.; Piendibene, M.; Ristori, L.; Rogondino, L.; Sartori, L.] Univ Pisa, Siena & Scuola Normale Super, Ist Nazl Fis Nucl, I-56127 Pisa, Italy. [Bhatti, A.] Rockefeller Univ, New York, NY 10021 USA. [Canepa, A.; Pianori, E.] Univ Penn, Philadelphia, PA 19104 USA. [Convery, M.; Liu, T.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Cortiana, G.; Lucchesi, D.; Pagan-Griso, S.; Pantano, D.] Univ Padua, Ist Nazl Fis Nucl, Sez Padova Trento, I-35131 Padua, Italy. [Flanagan, G.; Jones, M.; Veszpremi, V.; Vidal, M.] Purdue Univ, W Lafayette, IN 47907 USA. [Frisch, H.; Fukun, T.; Krop, D.; Pilcher, C.; Rusu, V.; Schmidt, M.; Zhou, L.] Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. RP Donati, S (reprint author), Univ Pisa, Siena & Scuola Normale Super, Ist Nazl Fis Nucl, I-56127 Pisa, Italy. EM simone.donati@pi.infn.it OI Casarsa, Massimo/0000-0002-1353-8964; Vidal Marono, Miguel/0000-0002-2590-5987 NR 9 TC 1 Z9 1 U1 1 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 JAN 1 PY 2009 VL 598 IS 1 BP 331 EP 333 DI 10.1016/j.nima.2008.08.035 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 397KV UT WOS:000262662500078 ER PT J AU Zeitlin, C Maurer, R Roth, D Goldsten, J Grey, M AF Zeitlin, C. Maurer, R. Roth, D. Goldsten, J. Grey, M. TI Development and evaluation of the Combined Ion and Neutron Spectrometer (CINS) SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article DE Galactic cosmic rays; Dosimetry; Heavy ions; Neutrons; Spectrometry ID SPACE; RAY; PARTICLES; ENERGIES; SPECTRA AB The Combined Ion and Neutron Spectrometer, CINS, is designed to measure the charged and neutral particles that contribute to the radiation dose and dose equivalent received by humans in spaceflight. As the depth of shielding increases, either onboard a spacecraft or in a surface habitat, the relative contribution of neutrons increases significantly, so that obtaining accurate neutron spectra becomes a critical part of any dosimetric measurements. The spectrometer system consists of high- and medium-energy neutron detectors along with a charged-particle detector telescope based on a standard silicon stack concept. The present version of the design is intended for ground-based use at particle accelerators; future iterations of the design can easily be streamlined to reduce volume, mass, and power consumption to create an instrument package suitable for spaceflight. The detector components have been tested separately using high-energy heavy ion beams at the NASA Space Radiation Laboratory at the Brookhaven National Laboratory and neutron beams at the Radiological Research Accelerator Facility operated by Columbia University. Here, we review the progress made in fabricating the hardware, report the results of several test runs, and discuss the remaining steps necessary to combine the separate components into an integrated system. A custom data acquisition system built for CINS is described in an accompanying article. (C) 2008 Elsevier B.V. All rights reserved. C1 [Zeitlin, C.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. [Maurer, R.; Roth, D.; Goldsten, J.; Grey, M.] Johns Hopkins Appl Phys Lab, Laurel, MD USA. RP Zeitlin, C (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, 1 Cyclotron Rd,MS 74R0197, Berkeley, CA 94720 USA. EM cjzeitlin@lbl.gov FU NASA; National Space Biomedical Research Institute FX We extend great thanks to Drs. A. Rusek and M. Sivertz for making the NSRL a congenial place to do experiments. We also thank the accelerator operators at BNL for their efforts on our behalf. This work is supported at Johns Hopkins University Applied Physics Laboratory under NASA Cooperative Agreement 9-58 with the National Space Biomedical Research Institute. NR 30 TC 2 Z9 2 U1 0 U2 0 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 JAN PY 2009 VL 267 IS 1 BP 125 EP 138 DI 10.1016/j.nimb.2008.10.006 PG 14 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 408SF UT WOS:000263454500024 ER PT J AU Grey, M Goldsten, J Maurer, R Roth, D Zeitlin, C AF Grey, M. Goldsten, J. Maurer, R. Roth, D. Zeitlin, C. TI Data acquisition for the Combined Ion and Neutron Spectrometer (CINS) SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article DE Galactic cosmic rays; Dosimetry; Heavy ions; Neutrons; Spectrometry AB The CINS (Combined Ion and Neutron Spectrometer) consists of three detector systems: a boron-loaded plastic scintillator for medium energy neutrons, a silicon detector system for high-energy neutrons, and a charged particle stack containing both silicon detectors and scintillators. A readout system built for the charged particle stack is described here. The stack must be able to detect particles over a wide range of charge and energy. It contains 7 detectors, including 4 silicon detectors that each have two output paths. The readout must have a large usable dynamic range and must be able to handle the relatively high event rates that occur when the stack is placed in an accelerator beam. The data acquisition system detects events (that is, compares incoming signals to user-supplied trigger definitions), proceeds to capture waveform data from the preamplifiers, and saves the data to a hard drive. Although only used with the charged particle stack to date, the system can also be used with the other elements of CINS. (C) 2008 Elsevier B.V. All rights reserved. C1 [Zeitlin, C.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Grey, M.; Goldsten, J.; Maurer, R.; Roth, D.] Johns Hopkins Appl Phys Lab, Laurel, MD USA. RP Zeitlin, C (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd,MS74R0197, Berkeley, CA 94720 USA. EM cjzeitlin@lbl.gov FU National Space Biomedical Research Institute (NSBRI); Baylor College of Medicine at the Texas Medical Center in Houston; NASA FX This work is sponsored by the National Space Biomedical Research Institute (NSBRI), a part of the Baylor College of Medicine at the Texas Medical Center in Houston. This work is supported at Johns Hopkins University Applied Physics Laboratory under NASA Cooperative Agreement 9-58 with the NSBRI. NR 1 TC 2 Z9 3 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 JAN PY 2009 VL 267 IS 1 BP 139 EP 143 DI 10.1016/j.nimb.2008.10.093 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 408SF UT WOS:000263454500025 ER PT S AU Lee, IY AF Lee, I-Yang BE Guimaraes, V BrandaoDeOliveira, JR Macario, KCD Genezini, FA TI Gamma-Ray Tracking Detectors: Physics Opportunities and Status of GRETINA/GRETA SO NUCLEAR PHYSICS 2008 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 31st Workshop on Nuclear Physics in Brazil CY SEP 08-12, 2008 CL Sao Sebastiao, BRAZIL SP Brazilian Phys Soc, Natl Council Sci & Technol Dev, Coordinat Improve Grad Courses, Res Support Fdn, Sao Paulo, Res Support Fdn, Rio de Janeiro DE Gamma-ray spectroscopy; tracking detector ID GRETA; BEAMS AB Gamma-ray tracking detectors using highly segmented germanium detectors will give higher efficiency, better peak-to-total ratio and much higher position resolution than current generation of detectors. Particularly, the capability of reconstructing the position of the interaction with millimeters resolution is needed to fully exploit the physics opportunities provided by the next generation radioactive beam facilities. This paper presents the basic concepts of tracking, examples of physics opportunities, and the status of the project GRETA/GRETINA. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Lee, IY (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. NR 9 TC 2 Z9 2 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0676-6 J9 AIP CONF PROC PY 2009 VL 1139 BP 23 EP 28 PG 6 WC Physics, Nuclear SC Physics GA BKB46 UT WOS:000267684800004 ER PT S AU Agvaanluvsan, U Mitchell, GE Baramsai, B Chyzh, A Dashdorj, D Walker, C Becker, JA Parker, WE Sleaford, B Wu, CY Bredeweg, TA Couture, A Haight, RC Jandel, M Rundberg, RS Ullmann, JL Vieira, DJ Wouters, JM Krticka, M Becvar, F AF Agvaanluvsan, U. Mitchell, G. E. Baramsai, B. Chyzh, A. Dashdorj, D. Walker, C. Becker, J. A. Parker, W. E. Sleaford, B. Wu, C. Y. Bredeweg, T. A. Couture, A. Haight, R. C. Jandel, M. Rundberg, R. S. Ullmann, J. L. Vieira, D. J. Wouters, J. M. Krticka, M. Becvar, F. BE Dashjorj, D Agvaanluvsan, U Mitchell, GE TI Spin and Parity Assignment of Neutron Resonances using Gamma-ray Multiplicity SO NUCLEAR PHYSICS AND APPLICATIONS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 1st International Ulaanbaatar Conference on Nuclear Physics and Applications CY SEP 08-11, 2008 CL Ulaanbaatar, MONGOL PEO REP SP MonAme Sci Res Ctr, Int Ctr Theoret Phys, N Carolina State Univ, Cannon Fdn UK DE neutron capture; neutron resonances; gamma ray multiplicity ID CAPTURE; DANCE AB Decay gamma rays following neutron capture on various isotopes are collected by the Detector for Advanced Neutron Capture Experiments (DANCE) array, which is located at flight path 14 at the Lujan Neutron Scattering Center at Los Alamos National Laboratory. The high segmentation (160 detectors) and close packing of the detector array enable gamma-ray multiplicity measurements. The calorimetric properties of the DANCE array coupled with the neutron time-of-flight technique enables one to gate on a specific resonance of a given isotope in the time-of-flight spectrum and obtain the summed energy spectrum for that isotope. The singles gamma-ray spectrum for each multiplicity can be separated by their DANCE cluster multiplicity. The multiplicity distribution contains the signatures of spin and parity of the capture state. Under suitable circumstances where the difference between spins of the initial (capture) and final (ground) state is large enough, the signatures in the multiplicity distribution can be used in improving the spin assignment of the initial state. The spin assignment is applied with varying degree of success to difference isotopes and description of this application for Mo-95, Eu-151,Eu-153, and Gd-155,Gd-157 is reviewed briefly. C1 [Agvaanluvsan, U.] Stanford Univ, Palo Alto, CA 94305 USA. [Agvaanluvsan, U.; Dashdorj, D.] MonAme Sci Res Ctr, Ulaanbaatar, Mongol Peo Rep. [Mitchell, G. E.; Baramsai, B.; Chyzh, A.; Dashdorj, D.; Walker, C.] North Carolina State Univ, Raleigh, NC 27695 USA. [Mitchell, G. E.] Triangle Univ Nucl Lab, Durham, NC 27708 USA. [Becker, J. A.; Parker, W. E.; Sleaford, B.; Wu, C. Y.] Lawrence Livermore Natl Lab, Livermore, CA 9455 USA. [Bredeweg, T. A.; Couture, A.; Haight, R. C.; Jandel, M.; Rundberg, R. S.; Ullmann, J. L.; Vieira, D. J.; Wouters, J. M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Krticka, M.; Becvar, F.] Charles Univ Prague, CZ-18000 Prague, Czech Republic. RP Agvaanluvsan, U (reprint author), Stanford Univ, Palo Alto, CA 94305 USA. RI Becvar, Frantisek/D-3824-2012 FU U. S. DoE [DE-FG52-06NA26194, DE-FG02-97-ER41042]; Livermore National Security; LLC; Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Los Alamos National Security; Los Alamos National Laboratory [DE-AC52-06NA25396] FX This work was supported in part by the U. S. DoE Grants No. DE-FG52-06NA26194 and DE-FG02-97-ER41042. Work performed, in part, under the auspices of the U.S. DoE by Livermore National Security, LLC, Lawrence Livermore National Laboratory under contract No. DE-AC52-07NA27344. Work performed, in part, under the auspices of the U.S. DoE by Los Alamos National Security, LLC, Los Alamos National Laboratory under Contract No. DE-AC52-06NA25396. NR 15 TC 0 Z9 0 U1 2 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0646-9 J9 AIP CONF PROC PY 2009 VL 1109 BP 11 EP + PG 2 WC Physics, Nuclear SC Physics GA BJW11 UT WOS:000267291500002 ER PT S AU Ball, GC Andreoiu, C Austin, RAE Bandyopadhyay, D Becker, JA Bricault, P Brown, N Chan, S Churchman, R Colosimo, S Coombes, H Cross, D Demand, G Drake, TE Dombsky, M Ettenauer, S Finlay, P Furse, D Garnsworthy, A Garrett, PE Green, KL Grinyer, GF Hyland, B Hackman, G Kanungo, R Kulp, WD Lassen, J Leach, KG Leslie, JR Mattoon, C Melconian, D Morton, AC Pearson, CJ Phillips, AA Rand, E Sarazin, F Svensson, CE Sumithrarachchi, S Schumaker, MA Triambak, S Waddington, JC Walker, PM Williams, SJ Wood, JL Wong, J Zganjar, EF AF Ball, G. C. Andreoiu, C. Austin, R. A. E. Bandyopadhyay, D. Becker, J. A. Bricault, P. Brown, N. Chan, S. Churchman, R. Colosimo, S. Coombes, H. Cross, D. Demand, G. Drake, T. E. Dombsky, M. Ettenauer, S. Finlay, P. Furse, D. Garnsworthy, A. Garrett, P. E. Green, K. L. Grinyer, G. F. Hyland, B. Hackman, G. Kanungo, R. Kulp, W. D. Lassen, J. Leach, K. G. Leslie, J. R. Mattoon, C. Melconian, D. Morton, A. C. Pearson, C. J. Phillips, A. A. Rand, E. Sarazin, F. Svensson, C. E. Sumithrarachchi, S. Schumaker, M. A. Triambak, S. Waddington, J. C. Walker, P. M. Williams, S. J. Wood, J. L. Wong, J. Zganjar, E. F. CA TIGRESS Collaboration BE Dashjorj, D Agvaanluvsan, U Mitchell, GE TI Gamma-Ray Spectroscopy at TRIUMF-ISAC: the New Frontier of Radioactive Ion Beam Research SO NUCLEAR PHYSICS AND APPLICATIONS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 1st International Ulaanbaatar Conference on Nuclear Physics and Applications CY SEP 08-11, 2008 CL Ulaanbaatar, MONGOL PEO REP SP MonAme Sci Res Ctr, Int Ctr Theoret Phys, N Carolina State Univ, Cannon Fdn UK DE beta-decay; gamma-ray spectroscopy; HPGe detector arrays; radioactive beams; weak interaction; CKM ID BETA-DECAY; TIGRESS AB High-resolution gamma-ray spectroscopy is essential to fully exploit the unique scientific opportunities at the next generation radioactive ion beam facilities such as the TRIUMF Isotope Separator and ACcelerator (ISAC). At ISAC the 8 pi spectrometer and its associated auxiliary detectors is optimize for beta-decay studies while TIGRESS an array of segmented clover HPGe detectors has been designed for studies with accelerated beams. This paper gives a brief overview of these facilities and also presents recent examples of the diverse experimental program carried out at the 8 pi spectrometer. C1 [Ball, G. C.; Bandyopadhyay, D.; Bricault, P.; Chan, S.; Churchman, R.; Coombes, H.; Dombsky, M.; Garnsworthy, A.; Hackman, G.; Lassen, J.; Morton, A. C.; Pearson, C. J.; Triambak, S.; Williams, S. J.] TRIUMF, 4004 Wesbrook, Vancouver, BC V6T 2A3, Canada. [Andreoiu, C.; Cross, D.] Simon Fraser Univ, Dept Chem, Burnaby, BC V5A 1S6, Canada. [Austin, R. A. E.; Colosimo, S.] St Marys Univ, Dept Astron & Phys, Halifax, NS B3H 3C3, Canada. [Becker, J. A.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Brown, N.; Furse, D.; Kulp, W. D.] Georgia Inst Technol, Sch Phys, Atlanta, GA 30332 USA. [Finlay, P.; Garrett, P. E.; Green, K. L.; Grinyer, G. F.; Hyland, B.; Leach, K. G.; Phillips, A. A.; Rand, E.; Svensson, C. E.; Sumithrarachchi, S.; Schumaker, M. A.; Wong, J.] Univ Guelph, Dept Phys, Guelph, ON N1G 2W1, Canada. [Drake, T. E.] Univ Toronto, Dept Phys, Toronto, ON G1K 7P4, Canada. [Ettenauer, S.] Univ British Columbia, Dept Phys, Vancouver, BC V6T 1Z1, Canada. [Grinyer, G. F.] Michigan State Univ, Natl Superconduc Cyclotron Lab, E Lansing, MI 48824 USA. [Leslie, J. R.] Queens Univ, Dept Phys, Kingston, ON K7L 3N6, Canada. [Mattoon, C.; Sarazin, F.] Colorado Sch Mines, Dept Phys, Golden, CO 80401 USA. [Melconian, D.] Simon Fraser Univ, Dept Phys, Burnaby, BC V5A 1S6, Canada. [Melconian, D.] Texas A&M Univ, Inst Cyclotron, College Stn, TX 77843 USA. [Waddington, J. C.] McMaster Univ, Dept Phys & Astron, Hamilton, ON L8S 4K1, Canada. [Walker, P. M.] Univ Surrey, Dept Phys, Guildford, Surrey GU2 7XH, England. [Zganjar, E. F.] Louisiana State Univ, Dept Phys & Astron, Baton Rouge, LA 70803 USA. RP Ball, GC (reprint author), TRIUMF, 4004 Wesbrook, Vancouver, BC V6T 2A3, Canada. RI Melconian, Dan/A-1331-2011; Morton, Colin/K-1561-2015; OI Melconian, Dan/0000-0002-0142-5428; Morton, Colin/0000-0003-0214-7551; Leach, Kyle/0000-0002-4751-1698 FU National Research Council of Canada; Natural Science and Engineering Research Council of Canada; U.S. Department of Energy; US Natural Science Foundation FX The authors would like to thank the TRIUMFISAC team for their hard work and dedication to the production of high-quality radioactive beams. TRIUMF receives federal funding via a contribution agreement through the National Research Council of Canada. This work was supported by the Natural Science and Engineering Research Council of Canada, the U.S. Department of Energy and the US Natural Science Foundation. NR 24 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0646-9 J9 AIP CONF PROC PY 2009 VL 1109 BP 19 EP + PG 2 WC Physics, Nuclear SC Physics GA BJW11 UT WOS:000267291500004 ER PT S AU Dashdorj, D Mitchell, GE Baramsai, B Chyzh, A Walker, C Agvaanluvsan, U Becker, JA Parker, W Sleaford, B Wu, CY Bredeweg, TA Couture, A Haight, RC Jandel, M Rundberg, RS Ullmann, JL Vieira, DJ Wouters, JM Krticka, M Becvar, F AF Dashdorj, D. Mitchell, G. E. Baramsai, B. Chyzh, A. Walker, C. Agvaanluvsan, U. Becker, J. A. Parker, W. Sleaford, B. Wu, C. Y. Bredeweg, T. A. Couture, A. Haight, R. C. Jandel, M. Rundberg, R. S. Ullmann, J. L. Vieira, D. J. Wouters, J. M. Krticka, M. Becvar, F. BE Dashjorj, D Agvaanluvsan, U Mitchell, GE TI Neutron Capture Experiments Using the DANCE Array at Los Alamos SO NUCLEAR PHYSICS AND APPLICATIONS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 1st International Ulaanbaatar Conference on Nuclear Physics and Applications CY SEP 08-11, 2008 CL Ulaanbaatar, MONGOL PEO REP SP MonAme Sci Res Ctr, Int Ctr Theoret Phys, N Carolina State Univ, Cannon Fdn UK DE neutron capture; photon strength functions; gamma ray multiplicity ID DETECTOR; MODE AB The Detector for Advanced Neutron Capture Experiments (DANCE) is designed for neutron capture measurements on very small and/or radioactive targets. The DANCE array of 160 BaF2 scintillation detectors is located at the Lujan Center at the Los Alamos Neutron Science Center (LANSCE). Accurate measurements of neutron capture data are important for many current applications as well as for basic understanding of neutron capture. The gamma rays following neutron capture reactions have been studied by the time-of-flight technique using the DANCE array. The high granularity of the array allows measurements of the gamma-ray multiplicity. The gamma-ray multiplicities and energy spectra for different multiplicities can be measured and analyzed for spin and parity determination of the resolved resonances. C1 [Dashdorj, D.; Mitchell, G. E.; Baramsai, B.; Chyzh, A.; Walker, C.] North Carolina State Univ, Raleigh, NC 27695 USA. [Dashdorj, D.; Agvaanluvsan, U.] MonAme Sci Res Ctr, Ulaanbaatar, Mongol Peo Rep. [Mitchell, G. E.] Triangle Univ Nucl Lab, Durham, NC 27708 USA. [Agvaanluvsan, U.] Stanford Univ, Stanford, CA 94305 USA. [Becker, J. A.; Parker, W.; Sleaford, B.; Wu, C. Y.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Bredeweg, T. A.; Couture, A.; Haight, R. C.; Jandel, M.; Rundberg, R. S.; Ullmann, J. L.; Vieira, D. J.; Wouters, J. M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Krticka, M.; Becvar, F.] Charles Univ Prague, CZ-18000 Prague, Czech Republic. RP Dashdorj, D (reprint author), North Carolina State Univ, Raleigh, NC 27695 USA. RI Becvar, Frantisek/D-3824-2012 FU U. S. DoE [DE-FG52-06NA26194, DE-FG02-97-ER41042]; Livermore National Security; LLC; Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Los Alamos National Security; Los Alamos National Laboratory [DE-AC52-06NA25396] FX This work was supported in part by the U. S. DoE Grants No. DE-FG52-06NA26194 and DE-FG02-97-ER41042. Work performed, in part, under the auspices of the U.S. DoE by Livermore National Security, LLC, Lawrence Livermore National Laboratory under contract No. DE-AC52-07NA27344. Work performed. in part, under the auspices of the U.S. DoE by Los Alamos National Security, LLC, Los Alamos National Laboratory under Contract No. DE-AC52-06NA25396. NR 11 TC 0 Z9 0 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0646-9 J9 AIP CONF PROC PY 2009 VL 1109 BP 48 EP + PG 2 WC Physics, Nuclear SC Physics GA BJW11 UT WOS:000267291500008 ER PT J AU Begel, M AF Begel, Michael CA CDF & DO Collaborations TI Production of Direct Photons and Jets at the Tevatron SO NUCLEAR PHYSICS B-PROCEEDINGS SUPPLEMENTS LA English DT Proceedings Paper CT 14th International Conference on Quantum Chromodynamics CY JUL, 2008 CL Montpellier, FRANCE ID P(P)OVER-BAR COLLISIONS; ROOT-S=1.96 TEV; CROSS-SECTION AB Recent differential cross section measurements of isolated photon and jet production from the CDF and Dempty set collaborations are presented. NLO pQCD calculations agree, within uncertainties, with the inclusive photon measurements but disagree with the photon+jet cross sections. NLO pQCD agrees very well with both the inclusive jet and dijet data. Limits on several exotic models are set; based on the dijet mass distribution. C1 [Begel, Michael] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Begel, M (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM begel@bnl.gov OI Begel, Michael/0000-0002-1634-4399 NR 16 TC 0 Z9 0 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5632 J9 NUCL PHYS B-PROC SUP JI Nucl. Phys. B-Proc. Suppl. PD JAN PY 2009 VL 186 BP 7 EP 10 DI 10.1016/j.nuclphysbps.2008.12.001 PG 4 WC Physics, Particles & Fields SC Physics GA 438PP UT WOS:000265568000002 ER PT J AU Shifman, M Unsal, M AF Shifman, M. Uensal, Mithat TI Confinement in Yang-Mills: Elements of a Big Picture SO NUCLEAR PHYSICS B-PROCEEDINGS SUPPLEMENTS LA English DT Proceedings Paper CT 14th International Conference on Quantum Chromodynamics CY JUL, 2008 CL Montpellier, FRANCE ID QUARK CONFINEMENT; GAUGE-FIELDS; MONOPOLES; STRINGS; DUALITY; MODELS AB This is a combined and slightly expanded version of talks delivered at 14th International QCD Conference "QCD 08", 7-12th July 2008, Montpellier, France, the International Conference "Quark Confinement and the Hadron Spectrum," Mainz, Germany, September 1-6, 2008 (Confinement 08), and the International Conference "Approaches to Quantum Chromodynamics," Oberwolz, Austria, September 7-13, 2008. C1 [Shifman, M.] Univ Minnesota, William I Fine Theoret Phys Inst, Minneapolis, MN 55455 USA. [Shifman, M.] Univ Paris 11, Phys Theor Lab, UMR 8627, F-91405 Orsay, France. [Uensal, Mithat] Stanford Univ, SLAC, Menlo Pk, CA 94025 USA. [Uensal, Mithat] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. RP Shifman, M (reprint author), Univ Minnesota, William I Fine Theoret Phys Inst, Minneapolis, MN 55455 USA. EM shifman@umn.edu NR 23 TC 8 Z9 8 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5632 J9 NUCL PHYS B-PROC SUP JI Nucl. Phys. B-Proc. Suppl. PD JAN PY 2009 VL 186 BP 235 EP 242 DI 10.1016/j.nuclphysbps.2008.12.053 PG 8 WC Physics, Particles & Fields SC Physics GA 438PP UT WOS:000265568000055 ER PT J AU Suganuma, H Nawa, K Kojo, T AF Suganuma, Hideo Nawa, Kanabu Kojo, Toru TI Baryons and Baryonic Matter in Holographic QCD from Superstring SO NUCLEAR PHYSICS B-PROCEEDINGS SUPPLEMENTS LA English DT Proceedings Paper CT 14th International Conference on Quantum Chromodynamics CY JUL, 2008 CL Montpellier, FRANCE ID SKYRMIONS AB We study baryons and baryonic matter in holographic QCD using a D4/D8/(D8) over bar multi-D-brane system in the superstring theory. We obtain the chiral soliton solution for baryons in the four-dimensional meson theory derived from the multi-D-brane system. For the analysis of finite baryon-density matter, we investigate the chiral soliton on S-3 in holographic QCD, and find the delocalization of the soliton, i.e., the swelling of baryons in dense matter. C1 [Suganuma, Hideo] Kyoto Univ, Dept Phys, Kitashirakawa, Sakyo 6068502, Japan. [Nawa, Kanabu] Osaka Univ, RCNP, Osaka 5670047, Japan. [Kojo, Toru] Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA. RP Suganuma, H (reprint author), Kyoto Univ, Dept Phys, Kitashirakawa, Sakyo 6068502, Japan. EM suganuma@ruby.scphys.kyoto-u.ac.jp NR 12 TC 1 Z9 1 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5632 EI 1873-3832 J9 NUCL PHYS B-PROC SUP JI Nucl. Phys. B-Proc. Suppl. PD JAN PY 2009 VL 186 BP 248 EP 251 DI 10.1016/j.nuclphysbps.2008.12.055 PG 4 WC Physics, Particles & Fields SC Physics GA 438PP UT WOS:000265568000057 ER PT J AU Megias, E Arriola, ER Salcedo, LL AF Megias, E. Ruiz Arriola, E. Salcedo, L. L. TI The powers of deconfinement SO NUCLEAR PHYSICS B-PROCEEDINGS SUPPLEMENTS LA English DT Proceedings Paper CT 14th International Conference on Quantum Chromodynamics CY JUL, 2008 CL Montpellier, FRANCE ID FINITE-TEMPERATURE; PHASE-TRANSITION; ENERGY; MASS; LOOP; QCD AB The trace anomaly of gluodynamics encodes the breakdown of classical scale invariance due to interactions around the deconfinement phase transition. While it is expected that at high temperatures perturbation theory becomes applicable we show that current lattice calculations are far from the perturbative regime and are dominated instead by inverse even power corrections in the temperature, while the total perturbative contribution is estimated to be extremely small and compatible with zero within error bars. We provide an interpretation in terms of dimension-two gluon condensate of the dimensionally reduced theory which value agrees with a similar analysis of power corrections from available lattice data for the renormalized Polyakov loop and the heavy quark-antiquark free energy in the deconfined phase of QCD [1,2]. C1 [Megias, E.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. [Ruiz Arriola, E.; Salcedo, L. L.] Univ Granada, Dept Fis Atom Mol & Nucl, E-18071 Granada, Spain. RP Megias, E (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM emegias@ugr.es RI Salcedo, Lorenzo Luis/A-8845-2008; Ruiz Arriola, Enrique/A-9388-2015; OI Salcedo, Lorenzo Luis/0000-0002-3575-0341; Ruiz Arriola, Enrique/0000-0002-9570-2552; Megias, Eugenio/0000-0002-6735-9013 NR 25 TC 7 Z9 7 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5632 J9 NUCL PHYS B-PROC SUP JI Nucl. Phys. B-Proc. Suppl. PD JAN PY 2009 VL 186 BP 256 EP 259 DI 10.1016/j.nuclphysbps.2008.12.057 PG 4 WC Physics, Particles & Fields SC Physics GA 438PP UT WOS:000265568000059 ER PT S AU Moses, WW AF Moses, William W. BE Dubnickova, A Dubnicka, S Granja, C Leroy, C Stekl, I TI Recent Advances and Future Advances in Time-of-Flight PET SO NUCLEAR PHYSICS METHODS AND ACCELERATORS IN BIOLOGY AND MEDICINE SE AIP Conference Proceedings LA English DT Proceedings Paper CT 5th International Summer School on Nuclear Physics Methods and Accelerators in Biology and Medicine CY JUL 06-15, 2009 CL Comenius Univ, Fac Math, Phys & Informat, Bratislava, SLOVAKIA SP Minist Skolstvu Slovenskej Republiky, EVPU, sfs, Czech Tech Univ, Inst Expt & Appl Phys, Joint Inst Nucl Res, Univ Ctr HO Comenius Univ, Fac Math, Phys & Informat DE Positron Emission Mammography; Breast Cancer; PEM Camera Design and Optimization ID POSITRON-EMISSION-TOMOGRAPHY; GAMMA-RAY SPECTROSCOPY; TIMING PROPERTIES; BAF2 CRYSTALS; TOF PET; RESOLUTION; SCINTILLATOR; DETECTOR; PERFORMANCE; LABR3-CE AB Simple theory predicts that the statistical noise variance in PET can be reduced by an order of magnitude by using time-of-flight (TOF) information. This reduction can be obtained by improving the coincidence timing resolution, and so would be achievable in clinical, whole body studies using with PET systems that differ little from existing cameras. The potential impact of this development is large, especially for oncology studies in large patients, where it is sorely needed. TOF PET was extensively studied in the 1980's but died away in the 1990's, as it was impossible to reliably achieve sufficient timing resolution without sacrificing other important PET performance aspects, such as spatial resolution and efficiency. Recent advances in technology (scintillators, photodetectors, and high speed electronics) have renewed interest in TOF PET, which is experiencing a rebirth. However, there is still much to be done, both in instrumentation development and evaluating the true benefits of TOF in modern clinical PET. This paper looks at what has been accomplished and what needs to be done before time-of-flight PET can reach its full potential. C1 Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Moses, WW (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. NR 44 TC 0 Z9 0 U1 2 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0741-1 J9 AIP CONF PROC PY 2009 VL 1204 BP 119 EP 125 PG 7 WC Engineering, Biomedical; Physics, Nuclear SC Engineering; Physics GA BQJ70 UT WOS:000281184400017 ER PT J AU Thompson, IJ Nunes, FM AF Thompson, Ian J. Nunes, Filomena M. BA Thompson, IJ Nunes, FM BF Thompson, IJ Nunes, FM TI Nuclei in the Cosmos SO NUCLEAR REACTIONS FOR ASTROPHYSICS: PRINCIPLES, CALCULATION AND APPLICATIONS OF LOW-ENERGY REACTIONS LA English DT Article; Book Chapter C1 [Thompson, Ian J.] Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. [Thompson, Ian J.] Univ Surrey, Guildford GU2 5XH, Surrey, England. [Nunes, Filomena M.] Michigan State Univ, Natl Superconducting Cyclotron Lab, Dept Phys & Astron, E Lansing, MI 48824 USA. RP Thompson, IJ (reprint author), Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. NR 16 TC 2 Z9 2 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-0-521-85635-5 PY 2009 BP 1 EP 27 D2 10.1017/CBO9781139152150 PG 27 WC Astronomy & Astrophysics; Physics, Nuclear SC Astronomy & Astrophysics; Physics GA BCH96 UT WOS:000310226200002 ER PT B AU Thompson, IJ Nunes, FM AF Thompson, Ian J. Nunes, Filomena M. BA Thompson, IJ Nunes, FM BF Thompson, IJ Nunes, FM TI NUCLEAR REACTIONS FOR ASTROPHYSICS Principles, Calculation and Applications of Low-Energy Reactions Preface SO NUCLEAR REACTIONS FOR ASTROPHYSICS: PRINCIPLES, CALCULATION AND APPLICATIONS OF LOW-ENERGY REACTIONS LA English DT Editorial Material; Book Chapter C1 [Thompson, Ian J.] Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. [Thompson, Ian J.] Univ Surrey, Guildford GU2 5XH, Surrey, England. [Nunes, Filomena M.] Michigan State Univ, Natl Superconducting Cyclotron Lab, Dept Phys & Astron, E Lansing, MI 48824 USA. RP Thompson, IJ (reprint author), Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-0-521-85635-5 PY 2009 BP IX EP XI D2 10.1017/CBO9781139152150 PG 3 WC Astronomy & Astrophysics; Physics, Nuclear SC Astronomy & Astrophysics; Physics GA BCH96 UT WOS:000310226200001 ER PT B AU Thompson, IJ Nunes, FM AF Thompson, Ian J. Nunes, Filomena M. BA Thompson, IJ Nunes, FM BF Thompson, IJ Nunes, FM TI Reactions of nuclei SO NUCLEAR REACTIONS FOR ASTROPHYSICS: PRINCIPLES, CALCULATION AND APPLICATIONS OF LOW-ENERGY REACTIONS LA English DT Article; Book Chapter C1 [Thompson, Ian J.] Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. [Thompson, Ian J.] Univ Surrey, Guildford GU2 5XH, Surrey, England. [Nunes, Filomena M.] Michigan State Univ, Natl Superconducting Cyclotron Lab, Dept Phys & Astron, E Lansing, MI 48824 USA. RP Thompson, IJ (reprint author), Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. NR 4 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-0-521-85635-5 PY 2009 BP 28 EP 47 D2 10.1017/CBO9781139152150 PG 20 WC Astronomy & Astrophysics; Physics, Nuclear SC Astronomy & Astrophysics; Physics GA BCH96 UT WOS:000310226200003 ER PT J AU Thompson, IJ Nunes, FM AF Thompson, Ian J. Nunes, Filomena M. BA Thompson, IJ Nunes, FM BF Thompson, IJ Nunes, FM TI Scattering theory SO NUCLEAR REACTIONS FOR ASTROPHYSICS: PRINCIPLES, CALCULATION AND APPLICATIONS OF LOW-ENERGY REACTIONS LA English DT Article; Book Chapter ID ARGUMENTS; COULOMB C1 [Thompson, Ian J.] Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. [Thompson, Ian J.] Univ Surrey, Guildford GU2 5XH, Surrey, England. [Nunes, Filomena M.] Michigan State Univ, Natl Superconducting Cyclotron Lab, Dept Phys & Astron, E Lansing, MI 48824 USA. RP Thompson, IJ (reprint author), Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. NR 15 TC 0 Z9 0 U1 0 U2 1 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-0-521-85635-5 PY 2009 BP 48 EP 128 D2 10.1017/CBO9781139152150 PG 81 WC Astronomy & Astrophysics; Physics, Nuclear SC Astronomy & Astrophysics; Physics GA BCH96 UT WOS:000310226200004 ER PT J AU Thompson, IJ Nunes, FM AF Thompson, Ian J. Nunes, Filomena M. BA Thompson, IJ Nunes, FM BF Thompson, IJ Nunes, FM TI Reaction mechanisms SO NUCLEAR REACTIONS FOR ASTROPHYSICS: PRINCIPLES, CALCULATION AND APPLICATIONS OF LOW-ENERGY REACTIONS LA English DT Article; Book Chapter ID ELASTIC DEUTERON SCATTERING; OPTICAL-MODEL PARAMETERS; ALPHA-PARTICLES; RADIATIVE-CAPTURE; CROSS-SECTIONS; FINAL-STATES; NUCLEI; POTENTIALS; NEUTRON; RANGE C1 [Thompson, Ian J.] Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. [Thompson, Ian J.] Univ Surrey, Guildford GU2 5XH, Surrey, England. [Nunes, Filomena M.] Michigan State Univ, Natl Superconducting Cyclotron Lab, Dept Phys & Astron, E Lansing, MI 48824 USA. RP Thompson, IJ (reprint author), Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. NR 43 TC 0 Z9 0 U1 0 U2 2 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-0-521-85635-5 PY 2009 BP 129 EP 172 D2 10.1017/CBO9781139152150 PG 44 WC Astronomy & Astrophysics; Physics, Nuclear SC Astronomy & Astrophysics; Physics GA BCH96 UT WOS:000310226200005 ER PT J AU Thompson, IJ Nunes, FM AF Thompson, Ian J. Nunes, Filomena M. BA Thompson, IJ Nunes, FM BF Thompson, IJ Nunes, FM TI Connecting structure with reactions SO NUCLEAR REACTIONS FOR ASTROPHYSICS: PRINCIPLES, CALCULATION AND APPLICATIONS OF LOW-ENERGY REACTIONS LA English DT Article; Book Chapter ID SHELL-MODEL CALCULATIONS; NUCLEAR REACTIONS; SPHERICAL NUCLEI; UNIFIED THEORY; 1P SHELL; CONTINUUM; DYNAMICS; LIGHT C1 [Thompson, Ian J.] Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. [Thompson, Ian J.] Univ Surrey, Guildford GU2 5XH, Surrey, England. [Nunes, Filomena M.] Michigan State Univ, Natl Superconducting Cyclotron Lab, Dept Phys & Astron, E Lansing, MI 48824 USA. RP Thompson, IJ (reprint author), Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. NR 33 TC 0 Z9 0 U1 0 U2 1 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-0-521-85635-5 PY 2009 BP 173 EP 199 D2 10.1017/CBO9781139152150 PG 27 WC Astronomy & Astrophysics; Physics, Nuclear SC Astronomy & Astrophysics; Physics GA BCH96 UT WOS:000310226200006 ER PT J AU Thompson, IJ Nunes, FM AF Thompson, Ian J. Nunes, Filomena M. BA Thompson, IJ Nunes, FM BF Thompson, IJ Nunes, FM TI Solving the equations SO NUCLEAR REACTIONS FOR ASTROPHYSICS: PRINCIPLES, CALCULATION AND APPLICATIONS OF LOW-ENERGY REACTIONS LA English DT Article; Book Chapter ID COUPLED EQUATIONS; CHANNELS CALCULATIONS; INELASTIC-SCATTERING; SCHRODINGER-EQUATION; NUCLEAR-REACTIONS; NONORTHOGONALITY; EXCITATION; REGION C1 [Thompson, Ian J.] Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. [Thompson, Ian J.] Univ Surrey, Guildford GU2 5XH, Surrey, England. [Nunes, Filomena M.] Michigan State Univ, Natl Superconducting Cyclotron Lab, Dept Phys & Astron, E Lansing, MI 48824 USA. RP Thompson, IJ (reprint author), Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. NR 34 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-0-521-85635-5 PY 2009 BP 200 EP 228 D2 10.1017/CBO9781139152150 PG 29 WC Astronomy & Astrophysics; Physics, Nuclear SC Astronomy & Astrophysics; Physics GA BCH96 UT WOS:000310226200007 ER PT J AU Thompson, IJ Nunes, FM AF Thompson, Ian J. Nunes, Filomena M. BA Thompson, IJ Nunes, FM BF Thompson, IJ Nunes, FM TI Approximate solutions SO NUCLEAR REACTIONS FOR ASTROPHYSICS: PRINCIPLES, CALCULATION AND APPLICATIONS OF LOW-ENERGY REACTIONS LA English DT Article; Book Chapter ID COULOMB DISSOCIATION; HALO NUCLEI; BREAK-UP; DEUTERON; B-8; EXCITATION; SCATTERING; MECHANICS C1 [Thompson, Ian J.] Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. [Thompson, Ian J.] Univ Surrey, Guildford GU2 5XH, Surrey, England. [Nunes, Filomena M.] Michigan State Univ, Natl Superconducting Cyclotron Lab, Dept Phys & Astron, E Lansing, MI 48824 USA. RP Thompson, IJ (reprint author), Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. NR 30 TC 1 Z9 1 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-0-521-85635-5 PY 2009 BP 229 EP 253 D2 10.1017/CBO9781139152150 PG 25 WC Astronomy & Astrophysics; Physics, Nuclear SC Astronomy & Astrophysics; Physics GA BCH96 UT WOS:000310226200008 ER PT J AU Thompson, IJ Nunes, FM AF Thompson, Ian J. Nunes, Filomena M. BA Thompson, IJ Nunes, FM BF Thompson, IJ Nunes, FM TI Breakup SO NUCLEAR REACTIONS FOR ASTROPHYSICS: PRINCIPLES, CALCULATION AND APPLICATIONS OF LOW-ENERGY REACTIONS LA English DT Article; Book Chapter ID HEAVY-ION REACTIONS; COULOMB BREAKUP; UNBOUND STATES; HALO NUCLEI; CONTINUUM; SCATTERING C1 [Thompson, Ian J.] Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. [Thompson, Ian J.] Univ Surrey, Guildford GU2 5XH, Surrey, England. [Nunes, Filomena M.] Michigan State Univ, Natl Superconducting Cyclotron Lab, Dept Phys & Astron, E Lansing, MI 48824 USA. RP Thompson, IJ (reprint author), Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. NR 34 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-0-521-85635-5 PY 2009 BP 254 EP 273 D2 10.1017/CBO9781139152150 PG 20 WC Astronomy & Astrophysics; Physics, Nuclear SC Astronomy & Astrophysics; Physics GA BCH96 UT WOS:000310226200009 ER PT J AU Thompson, IJ Nunes, FM AF Thompson, Ian J. Nunes, Filomena M. BA Thompson, IJ Nunes, FM BF Thompson, IJ Nunes, FM TI Three-body nuclei SO NUCLEAR REACTIONS FOR ASTROPHYSICS: PRINCIPLES, CALCULATION AND APPLICATIONS OF LOW-ENERGY REACTIONS LA English DT Article; Book Chapter ID CORE EXCITATION; ELASTIC-SCATTERING; HALO NUCLEI; LI-11; ENERGIES; BE-12; MODEL C1 [Thompson, Ian J.] Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. [Thompson, Ian J.] Univ Surrey, Guildford GU2 5XH, Surrey, England. [Nunes, Filomena M.] Michigan State Univ, Natl Superconducting Cyclotron Lab, Dept Phys & Astron, E Lansing, MI 48824 USA. RP Thompson, IJ (reprint author), Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. NR 28 TC 0 Z9 0 U1 1 U2 1 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-0-521-85635-5 PY 2009 BP 274 EP 295 D2 10.1017/CBO9781139152150 PG 22 WC Astronomy & Astrophysics; Physics, Nuclear SC Astronomy & Astrophysics; Physics GA BCH96 UT WOS:000310226200010 ER PT J AU Thompson, IJ Nunes, FM AF Thompson, Ian J. Nunes, Filomena M. BA Thompson, IJ Nunes, FM BF Thompson, IJ Nunes, FM TI R-matrix phenomenology SO NUCLEAR REACTIONS FOR ASTROPHYSICS: PRINCIPLES, CALCULATION AND APPLICATIONS OF LOW-ENERGY REACTIONS LA English DT Article; Book Chapter ID NUCLEAR REACTIONS C1 [Thompson, Ian J.] Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. [Thompson, Ian J.] Univ Surrey, Guildford GU2 5XH, Surrey, England. [Nunes, Filomena M.] Michigan State Univ, Natl Superconducting Cyclotron Lab, Dept Phys & Astron, E Lansing, MI 48824 USA. RP Thompson, IJ (reprint author), Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. NR 5 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-0-521-85635-5 PY 2009 BP 296 EP 313 D2 10.1017/CBO9781139152150 PG 18 WC Astronomy & Astrophysics; Physics, Nuclear SC Astronomy & Astrophysics; Physics GA BCH96 UT WOS:000310226200011 ER PT J AU Thompson, IJ Nunes, FM AF Thompson, Ian J. Nunes, Filomena M. BA Thompson, IJ Nunes, FM BF Thompson, IJ Nunes, FM TI Compound-nucleus averaging SO NUCLEAR REACTIONS FOR ASTROPHYSICS: PRINCIPLES, CALCULATION AND APPLICATIONS OF LOW-ENERGY REACTIONS LA English DT Article; Book Chapter ID LEVEL DENSITY; CROSS SECTIONS; OPTICAL-MODEL; FORMULA; SCATTERING; MATRIX C1 [Thompson, Ian J.] Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. [Thompson, Ian J.] Univ Surrey, Guildford GU2 5XH, Surrey, England. [Nunes, Filomena M.] Michigan State Univ, Natl Superconducting Cyclotron Lab, Dept Phys & Astron, E Lansing, MI 48824 USA. RP Thompson, IJ (reprint author), Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. NR 31 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-0-521-85635-5 PY 2009 BP 314 EP 339 D2 10.1017/CBO9781139152150 PG 26 WC Astronomy & Astrophysics; Physics, Nuclear SC Astronomy & Astrophysics; Physics GA BCH96 UT WOS:000310226200012 ER PT J AU Thompson, IJ Nunes, FM AF Thompson, Ian J. Nunes, Filomena M. BA Thompson, IJ Nunes, FM BF Thompson, IJ Nunes, FM TI Stellar reaction rates and networks SO NUCLEAR REACTIONS FOR ASTROPHYSICS: PRINCIPLES, CALCULATION AND APPLICATIONS OF LOW-ENERGY REACTIONS LA English DT Article; Book Chapter ID NUCLEAR-REACTION RATES; NUCLEOSYNTHESIS; SENSITIVITY; COMPILATION; DENSITIES C1 [Thompson, Ian J.] Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. [Thompson, Ian J.] Univ Surrey, Guildford GU2 5XH, Surrey, England. [Nunes, Filomena M.] Michigan State Univ, Natl Superconducting Cyclotron Lab, Dept Phys & Astron, E Lansing, MI 48824 USA. RP Thompson, IJ (reprint author), Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. NR 22 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-0-521-85635-5 PY 2009 BP 340 EP 363 D2 10.1017/CBO9781139152150 PG 24 WC Astronomy & Astrophysics; Physics, Nuclear SC Astronomy & Astrophysics; Physics GA BCH96 UT WOS:000310226200013 ER PT J AU Thompson, IJ Nunes, FM AF Thompson, Ian J. Nunes, Filomena M. BA Thompson, IJ Nunes, FM BF Thompson, IJ Nunes, FM TI Connection to experiments SO NUCLEAR REACTIONS FOR ASTROPHYSICS: PRINCIPLES, CALCULATION AND APPLICATIONS OF LOW-ENERGY REACTIONS LA English DT Article; Book Chapter C1 [Thompson, Ian J.] Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. [Thompson, Ian J.] Univ Surrey, Guildford GU2 5XH, Surrey, England. [Nunes, Filomena M.] Michigan State Univ, Natl Superconducting Cyclotron Lab, Dept Phys & Astron, E Lansing, MI 48824 USA. RP Thompson, IJ (reprint author), Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. NR 20 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-0-521-85635-5 PY 2009 BP 364 EP 378 D2 10.1017/CBO9781139152150 PG 15 WC Astronomy & Astrophysics; Physics, Nuclear SC Astronomy & Astrophysics; Physics GA BCH96 UT WOS:000310226200014 ER PT J AU Thompson, IJ Nunes, FM AF Thompson, Ian J. Nunes, Filomena M. BA Thompson, IJ Nunes, FM BF Thompson, IJ Nunes, FM TI Spectroscopy SO NUCLEAR REACTIONS FOR ASTROPHYSICS: PRINCIPLES, CALCULATION AND APPLICATIONS OF LOW-ENERGY REACTIONS LA English DT Article; Book Chapter ID INTERMEDIATE ENERGIES; COULOMB-EXCITATION; HALO NUCLEI; D,P REACTION; S-FACTOR; SCATTERING; DISSOCIATION; STRENGTH C1 [Thompson, Ian J.] Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. [Thompson, Ian J.] Univ Surrey, Guildford GU2 5XH, Surrey, England. [Nunes, Filomena M.] Michigan State Univ, Natl Superconducting Cyclotron Lab, Dept Phys & Astron, E Lansing, MI 48824 USA. RP Thompson, IJ (reprint author), Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. NR 45 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-0-521-85635-5 PY 2009 BP 379 EP 402 D2 10.1017/CBO9781139152150 PG 24 WC Astronomy & Astrophysics; Physics, Nuclear SC Astronomy & Astrophysics; Physics GA BCH96 UT WOS:000310226200015 ER PT J AU Thompson, IJ Nunes, FM AF Thompson, Ian J. Nunes, Filomena M. BA Thompson, IJ Nunes, FM BF Thompson, IJ Nunes, FM TI Fitting data SO NUCLEAR REACTIONS FOR ASTROPHYSICS: PRINCIPLES, CALCULATION AND APPLICATIONS OF LOW-ENERGY REACTIONS LA English DT Article; Book Chapter ID SCATTERING C1 [Thompson, Ian J.] Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. [Thompson, Ian J.] Univ Surrey, Guildford GU2 5XH, Surrey, England. [Nunes, Filomena M.] Michigan State Univ, Natl Superconducting Cyclotron Lab, Dept Phys & Astron, E Lansing, MI 48824 USA. RP Thompson, IJ (reprint author), Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. NR 11 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-0-521-85635-5 PY 2009 BP 403 EP 418 D2 10.1017/CBO9781139152150 PG 16 WC Astronomy & Astrophysics; Physics, Nuclear SC Astronomy & Astrophysics; Physics GA BCH96 UT WOS:000310226200016 ER PT B AU Thompson, IJ Nunes, FM AF Thompson, Ian J. Nunes, Filomena M. BA Thompson, IJ Nunes, FM BF Thompson, IJ Nunes, FM TI Getting started with Fresco SO NUCLEAR REACTIONS FOR ASTROPHYSICS: PRINCIPLES, CALCULATION AND APPLICATIONS OF LOW-ENERGY REACTIONS LA English DT Article; Book Chapter C1 [Thompson, Ian J.] Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. [Thompson, Ian J.] Univ Surrey, Guildford GU2 5XH, Surrey, England. [Nunes, Filomena M.] Michigan State Univ, Natl Superconducting Cyclotron Lab, Dept Phys & Astron, E Lansing, MI 48824 USA. RP Thompson, IJ (reprint author), Lawrence Livermore Natl Lab, Nucl Theory & Modeling Grp, Livermore, CA 94550 USA. NR 1 TC 0 Z9 0 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-0-521-85635-5 PY 2009 BP 433 EP 454 D2 10.1017/CBO9781139152150 PG 22 WC Astronomy & Astrophysics; Physics, Nuclear SC Astronomy & Astrophysics; Physics GA BCH96 UT WOS:000310226200017 ER PT B AU Keiser, DD AF Keiser, D. D., Jr. BE Aasen, A Olsson, P TI THE DEVELOPMENT OF FUEL CLADDING CHEMICAL INTERACTION ZONES IN IRRADIATED U-ZR AND U-PU-ZR FUEL ELEMENTS WITH STAINLESS STEEL CLADDING SO NUCLEAR REACTORS, NUCLEAR FUSION AND FUSION ENGINEERING LA English DT Article; Book Chapter ID BREEDER REACTOR-II; PERFORMANCE AB The Advanced Fuel Cycle Initiative is responsible for the development of advanced nuclear energy systems. One of these nuclear energy systems is the Sodium Fast Reactor (SFR). To maximize the performance of this type of nuclear reactor, it will be important to improve on the performance of the nuclear fuel, i.e., allow for higher fuel burnup and/or operation of the fuel at higher reactor operating temperatures. One type of nuclear fuel currently being evaluated is a metallic U-Pu-Zr alloy, and one phenomenon that could limit the ability of the fuel to perform at temperatures that are higher than what have been typically employed is the chemical compatibility of the fuel and cladding. During irradiation, the fuel swells and eventually contacts the cladding, at which time fuel cladding chemical interaction (FCCI) can occur. During this process, interdiffusion occurs between the fuel, cladding, and fission products, which can result in the formation of interaction zones on the inner surface of the cladding that can become brittle or may contain relatively low-melting phases. The result of this process can be cracking and failure of the cladding. Minimal detailed information on FCCI in irradiated metallic SFR fuels is available in the literature. Thus, in order to facilitate an increased understanding of FCCI, this chapter describes results that have been generated from the destructive examinations of individual fuel elements that were irradiated in the Experimental Breeder Reactor-II over the course of a thirty-year timeframe. This chapter particularly focuses on any interaction zones that developed on the inner surface of the cladding. Three examination techniques were employed to characterize FCCI in these fuel elements: optical metallography, electron probe micro-analysis, and scanning electron microscopy. The results of these examinations were evaluated and compared to provide information about FCCI and what effects it could have on fuel performance. Fuel elements that included U-Zr or U-Pu-Zr alloy fuels and HT-9, D9, or Type 316 stainless steel cladding were assessed. The irradiation conditions, cladding type, and axial location on fuel elements, where the thickest layers could be expected to develop, were identified, and it was found that the largest interaction zones developed at the combined high-power and high-temperature regions of the fuel elements and for the fuel elements with U-Pu-Zr alloy fuel and D9 stainless steel cladding. The most prevalent, non-cladding constituent observed in the developed interaction layers were the lanthanide fission products. C1 Idaho Natl Lab, Idaho Falls, ID USA. RP Keiser, DD (reprint author), Idaho Natl Lab, Idaho Falls, ID USA. NR 12 TC 8 Z9 8 U1 0 U2 1 PU NOVA SCIENCE PUBLISHERS, INC PI HAUPPAUGE PA 400 OSER AVE, STE 1600, HAUPPAUGE, NY 11788-3635 USA BN 978-1-60692-508-9 PY 2009 BP 163 EP 194 PG 32 WC Nuclear Science & Technology SC Nuclear Science & Technology GA BLU40 UT WOS:000271046200004 ER PT B AU El-Guebaly, LA Cadwallader, LC AF El-Guebaly, Laila A. Cadwallader, Lee C. BE Aasen, A Olsson, P TI RECENT DEVELOPMENTS IN SAFETY AND ENVIRONMENTAL ASPECTS OF FUSION EXPERIMENTS AND POWER PLANTS SO NUCLEAR REACTORS, NUCLEAR FUSION AND FUSION ENGINEERING LA English DT Article; Book Chapter ID NATIONAL IGNITION FACILITY; LOW-ACTIVATION MATERIALS; PROBABILISTIC RISK-ASSESSMENT; RADIATION-EXPOSURE DATA; DRIVEN IFE REACTOR; LOSS-OF-COOLANT; WASTE MANAGEMENT; ARIES-AT; ACCIDENT ANALYSIS; ITER AB Electricity generating plants powered by nuclear fusion have long been envisioned as possessing inherent advantages for the health and safety of the public, the health and safety of plant workers, and good stewardship of the environment while supporting modem society. This chapter discusses the progress and state-of-the-art of these three principal aspects of fusion safety and environment. The fusion safety philosophy and advantages over traditional thermal power plants are described. Fusion workers should be protected commensurately with workers in other comparable industrial activities. The fusion radwaste management strategy must accommodate the new trend of recycling and clearance, avoiding geological disposal. Here, we discuss the technical elements as well as the US regulatory approach and policy governing the design of safe and environmentally sound fusion devices. C1 [El-Guebaly, Laila A.] Univ Wisconsin, Fus Technol Inst, Madison, WI 53706 USA. [Cadwallader, Lee C.] Idaho Natl Lab, Fus Safety Program, Idaho Falls, ID USA. RP El-Guebaly, LA (reprint author), Univ Wisconsin, Fus Technol Inst, Madison, WI 53706 USA. EM elguebaly@engr.wisc.edu; Lee.Cadwallader@inl.gov NR 192 TC 0 Z9 0 U1 0 U2 1 PU NOVA SCIENCE PUBLISHERS, INC PI HAUPPAUGE PA 400 OSER AVE, STE 1600, HAUPPAUGE, NY 11788-3635 USA BN 978-1-60692-508-9 PY 2009 BP 321 EP 365 PG 45 WC Nuclear Science & Technology SC Nuclear Science & Technology GA BLU40 UT WOS:000271046200009 ER PT S AU Rehm, KE AF Rehm, K. E. BE Milin, M Niksic, T Vretenar, D Szilner, S TI The Influence of Nuclear Structure and Reactions in Astrophysics SO NUCLEAR STRUCTURE AND DYNAMICS '09 SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on Nuclear Structure and Dynamics CY MAY 04-08, 2009 CL Dubrovnik, CROATIA SP Univ Zagreb, Phys Dept, Ruder Boskovic Inst DE Nuclear Astrophysics AB Nuclear structure and nuclear dynamics play an important role in astrophysics. The occurrence (or non-occurrence) of a certain state at a given excitation energy can change the reaction rate, and thus the abundance of the elements, by many orders of magnitude. An example is the existence of an excited 0(+) state in C-12 at 7.654 MeV, right in the middle of the Gamow window. This is a crucial step for the formation of C-12 via the triple-alpha reaction. Similarly the lack of a state with natural parity in Ne-20 at E-x similar to 5 MeV prevents the conversion of chemically active O-16 into chemically inert Ne-20. In this contribution some recent accomplishments relevant to studies of nuclear structure and dynamics in astrophysics will be discussed. C1 Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Rehm, KE (reprint author), Argonne Natl Lab, Div Phys, 9700 S Cass Av, Argonne, IL 60439 USA. EM rehm@anl.gov NR 24 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0702-2 J9 AIP CONF PROC PY 2009 VL 1165 BP 399 EP 404 PG 6 WC Physics, Nuclear SC Physics GA BMP01 UT WOS:000273246000099 ER PT J AU Yue, M Cheng, LY Bari, RA AF Yue, Meng Cheng, Lap-Yan Bari, Robert A. TI RELATIVE PROLIFERATION RISKS FOR DIFFERENT FUEL CYCLE ARRANGEMENTS SO NUCLEAR TECHNOLOGY LA English DT Article DE fuel leasing; Markov approach; proliferation risk AB The purpose of this study is to evaluate the proliferation resistance characteristics for different fuel cycle arrangements in the context of a global nuclear energy system using a Markov approach, which is capable of modeling complex systems and providing probabilistic measures. A technique that groups a set of reactors similar to each other and yet captures major field cycle features for proliferation study is proposed as an enhancement to the Markov approach to reduce the modeling complexity. In evaluating impacts on proliferation, both the amounts of total materials around the world and the amounts of materials that are used by the host state are considered. Proliferation concerns are represented based on the proliferation resistance measures of fuel cycles. In addition to representing proliferation impact in terms Of proliferation success probability, a measure of proliferation risk is also introduced by using a product of the proliferation success probability and the material type index that represents the consequence of the proliferation. Sensitivity analyses are performed by varying the scale of the nuclear energy system owned and operated by a host state. C1 [Yue, Meng; Cheng, Lap-Yan; Bari, Robert A.] Brookhaven Natl Lab, Energy Sci & Technol Dept, Upton, NY 11973 USA. RP Yue, M (reprint author), Brookhaven Natl Lab, Energy Sci & Technol Dept, Upton, NY 11973 USA. EM yuemeng@bnl.gov FU Brookhaven Science Associates, LLC; U.S. Department of Energy; [DE-AC02-98CH 10886] FX This manuscript has been authored by employees of Brookhaven Science Associates, LLC, under contract DE-AC02-98CH 10886 with the U.S. Department of Energy. NR 9 TC 6 Z9 6 U1 1 U2 2 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 JAN PY 2009 VL 165 IS 1 BP 1 EP 17 PG 17 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 390CU UT WOS:000262142700001 ER PT J AU Berman, HM Westbrook, JD Gabanyi, MJ Tao, W Shah, R Kouranov, A Schwede, T Arnold, K Kiefer, F Bordoli, L Kopp, J Podvinec, M Adams, PD Carter, LG Minor, W Nair, R Baer, JL AF Berman, Helen M. Westbrook, John D. Gabanyi, Margaret J. Tao, Wendy Shah, Raship Kouranov, Andrei Schwede, Torsten Arnold, Konstantin Kiefer, Florian Bordoli, Lorenza Kopp, Jrgen Podvinec, Michael Adams, Paul D. Carter, Lester G. Minor, Wladek Nair, Rajesh Baer, Joshua La TI The protein structure initiative structural genomics knowledgebase SO NUCLEIC ACIDS RESEARCH LA English DT Article ID DATA-BANK; DATABASE; FAMILIES; CLASSIFICATION; INFORMATION; RESOURCES; MODELS AB The Protein Structure Initiative Structural Genomics Knowledgebase (PSI SGKB, http://kb.psi-structural genomics.org) has been created to turn the products of the PSI structural genomics effort into knowledge that can be used by the biological research community to understand living systems and disease. This resource provides central access to structures in the Protein Data Bank (PDB), along with functional annotations, associated homology models, worldwide protein target tracking information, available protocols and the potential to obtain DNA materials for many of the targets. It also offers the ability to search all of the structural and methodological publications and the innovative technologies that were catalyzed by the PSI's high-throughput research efforts. In collaboration with the Nature Publishing Group, the PSI SGKB provides a research library, editorials about new research advances, news and an events calendar to present a broader view of structural biology and structural genomics. By making these resources freely available, the PSI SGKB serves as a bridge to connect the structural biology and the greater biomedical communities. C1 [Berman, Helen M.; Westbrook, John D.; Gabanyi, Margaret J.; Tao, Wendy; Shah, Raship; Kouranov, Andrei] Rutgers State Univ, Dept Chem & Chem Biol, Piscataway, NJ 08854 USA. [Schwede, Torsten; Arnold, Konstantin; Kiefer, Florian; Bordoli, Lorenza; Kopp, Jrgen; Podvinec, Michael] Univ Basel, Swiss Inst Bioinformat, CH-4056 Basel, Switzerland. [Schwede, Torsten; Arnold, Konstantin; Kiefer, Florian; Bordoli, Lorenza; Kopp, Jrgen; Podvinec, Michael] Univ Basel, Biozentrum, CH-4056 Basel, Switzerland. [Kopp, Jrgen] Univ Heidelberg, Biochem Zentrum, D-69120 Heidelberg, Germany. [Adams, Paul D.; Carter, Lester G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Minor, Wladek] Univ Virginia, Dept Mol Physiol & Biol Phys, Charlottesville, VA 22908 USA. [Nair, Rajesh] Columbia Univ, Dept Biochem & Mol Biophys, New York, NY 10027 USA. [Baer, Joshua La] Harvard Univ, Sch Med, Harvard Inst Proteom, Boston, MA 02115 USA. [Baer, Joshua La] Harvard Univ, Sch Med, Dept Biol Chem & Mol Pharmacol, Boston, MA 02115 USA. RP Berman, HM (reprint author), Rutgers State Univ, Dept Chem & Chem Biol, Piscataway, NJ 08854 USA. EM berman@rcsb.rutgers.edu RI Schwede, Torsten/A-4650-2008; Minor, Wladek/F-3096-2014; Carter, Lester/G-6561-2014; Adams, Paul/A-1977-2013; OI Schwede, Torsten/0000-0003-2715-335X; Adams, Paul/0000-0001-9333-8219; Gabanyi, Margaret/0000-0002-2869-7810; Minor, Wladek/0000-0001-7075-7090 FU National Institute of General Medical Sciences; National Institutes of Health (NIH) [3U54GM074958-04S1] FX National Institute of General Medical Sciences. Funding for open access charge: The PSI SGKB is supported by the National Institutes of Health (NIH) as a sub-grant under Prime Agreement Award Number: 3U54GM074958-04S1. NR 22 TC 49 Z9 56 U1 0 U2 7 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0305-1048 J9 NUCLEIC ACIDS RES JI Nucleic Acids Res. PD JAN PY 2009 VL 37 BP D365 EP D368 DI 10.1093/nar/gkn790 PG 4 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 386TT UT WOS:000261906200066 PM 19010965 ER PT J AU Mao, FL Dam, P Chou, J Olman, V Xu, Y AF Mao, Fenglou Dam, Phuongan Chou, Jacky Olman, Victor Xu, Ying TI DOOR: a database for prokaryotic operons SO NUCLEIC ACIDS RESEARCH LA English DT Article ID PREDICTIONS; INFORMATION; GENOMES AB We present a database DOOR (Database for prOkaryotic OpeRons) containing computationally predicted operons of all the sequenced prokaryotic genomes. All the operons in DOOR are predicted using our own prediction program, which was ranked to be the best among 14 operon prediction programs by a recent independent review. Currently, the DOOR database contains operons for 675 prokaryotic genomes, and supports a number of search capabilities to facilitate easy access and utilization of the information stored in it. (1) Querying the database: the database provides a search capability for a user to find desired operons and associated information through multiple querying methods. (2) Searching for similar operons: the database provides a search capability for a user to find operons that have similar composition and structure to a query operon. (3) Prediction of cis-regulatory motifs: the database provides a capability for motif identification in the promoter regions of a user-specified group of possibly coregulated operons, using motif-finding tools. (4) Operons for RNA genes: the database includes operons for RNA genes. (5) OperonWiki: the database provides a wiki page (OperonWiki) to facilitate interactions between users and the developer of the database. We believe that DOOR provides a useful resource to many biologists working on bacteria and archaea, which can be accessed at http://csbl1.bmb.uga.edu/OperonDB. C1 [Mao, Fenglou; Dam, Phuongan; Chou, Jacky; Olman, Victor; Xu, Ying] Univ Georgia, Dept Biochem & Mol Biol, Computat Syst Biol Lab, Athens, GA 30602 USA. [Mao, Fenglou; Dam, Phuongan; Chou, Jacky; Olman, Victor; Xu, Ying] Univ Georgia, Inst Bioinformat, Athens, GA 30602 USA. [Mao, Fenglou; Dam, Phuongan; Chou, Jacky; Olman, Victor; Xu, Ying] Oak Ridge Natl Lab, DOE BioEnergy Sci Ctr BESC, Oak Ridge, TN USA. RP Xu, Y (reprint author), Univ Georgia, Dept Biochem & Mol Biol, Computat Syst Biol Lab, Athens, GA 30602 USA. EM xyn@bmb.uga.edu FU National Science Foundation [NSF/DBI-0354771, NSF/ITR-IIS-0407204, NSF/CCF-0621700, NSF/DBI-0542119]; Office of Biological and Environmental Research FX National Science Foundation (NSF/DBI-0354771, NSF/ITR-IIS-0407204, NSF/CCF-0621700, NSF/DBI-0542119, partial); BioEnergy Science Center grant from the Office of Biological and Environmental Research in the DOE Office of Science. Funding for open access charge: National Science Foundation (NSF/DBI-0542119). NR 10 TC 180 Z9 182 U1 3 U2 16 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0305-1048 J9 NUCLEIC ACIDS RES JI Nucleic Acids Res. PD JAN PY 2009 VL 37 BP D459 EP D463 DI 10.1093/nar/gkn757 PG 5 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 386TT UT WOS:000261906200083 PM 18988623 ER PT J AU Matthews, L Gopinath, G Gillespie, M Caudy, M Croft, D de Bono, B Garapati, P Hemish, J Hermjakob, H Jassal, B Kanapin, A Lewis, S Mahajan, S May, B Schmidt, E Vastrik, I Wu, GM Birney, E Stein, L D'Eustachio, P AF Matthews, Lisa Gopinath, Gopal Gillespie, Marc Caudy, Michael Croft, David de Bono, Bernard Garapati, Phani Hemish, Jill Hermjakob, Henning Jassal, Bijay Kanapin, Alex Lewis, Suzanna Mahajan, Shahana May, Bruce Schmidt, Esther Vastrik, Imre Wu, Guanming Birney, Ewan Stein, Lincoln D'Eustachio, Peter TI Reactome knowledgebase of human biological pathways and processes SO NUCLEIC ACIDS RESEARCH LA English DT Article ID ORTHOLOG GROUPS; COLLECTION; ORTHOMCL; GENOMES AB Reactome (http://www.reactome.org) is an expert-authored, peer-reviewed knowledgebase of human reactions and pathways that functions as a data mining resource and electronic textbook. Its current release includes 2975 human proteins, 2907 reactions and 4455 literature citations. A new entity-level pathway viewer and improved search and data mining tools facilitate searching and visualizing pathway data and the analysis of user-supplied high-throughput data sets. Reactome has increased its utility to the model organism communities with improved orthology prediction methods allowing pathway inference for 22 species and through collaborations to create manually curated Reactome pathway datasets for species including Arabidopsis, Oryza sativa (rice), Drosophila and Gallus gallus (chicken). Reactome's data content and software can all be freely used and redistributed under open source terms. C1 [Matthews, Lisa; Gopinath, Gopal; Gillespie, Marc; Caudy, Michael; Hemish, Jill; Kanapin, Alex; May, Bruce; Wu, Guanming; Stein, Lincoln; D'Eustachio, Peter] Cold Spring Harbor Lab, Cold Spring Harbor, NY 11724 USA. [Gillespie, Marc] St Johns Univ, Coll Pharm & Allied Hlth Profess, Jamaica, NY 11439 USA. [Croft, David; de Bono, Bernard; Garapati, Phani; Hermjakob, Henning; Jassal, Bijay; Schmidt, Esther; Vastrik, Imre; Birney, Ewan] European Bioinformat Inst, Cambridge CB10 1SD, England. [Lewis, Suzanna] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Mahajan, Shahana] CUNY Hunter Coll, New York, NY 10010 USA. [Mahajan, Shahana; D'Eustachio, Peter] NYU, Sch Med, New York, NY 10016 USA. [Stein, Lincoln] Ontario Inst Canc Res, Toronto, ON M5G0A3, Canada. RP D'Eustachio, P (reprint author), Cold Spring Harbor Lab, POB 100, Cold Spring Harbor, NY 11724 USA. EM deustp01@med.nyu.edu RI Kanapin, Alexander/E-7632-2013; Vastrik, Imre/C-2690-2009; Kanapin, Alexander/Q-7590-2016; OI Kanapin, Alexander/0000-0001-9802-5297; Croft, David/0000-0001-6363-8595; Garapati, Phani Vijay/0000-0003-0941-2207; D'Eustachio, Peter/0000-0002-5494-626X; Matthews, Lisa/0000-0001-5707-3065; Gillespie, Marc/0000-0002-5766-1702; Lewis, Suzanna/0000-0002-8343-612X; Birney, Ewan/0000-0001-8314-8497; Hermjakob, Henning/0000-0001-8479-0262 FU US National Institutes of Health [P41 HG003751]; European Union Sixth Framework Programme [LSHG-CT-2003-503269] FX The development of Reactome is supported by a grant from the US National Institutes of Health (P41 HG003751) and a grant from the European Union Sixth Framework Programme (LSHG-CT-2003-503269). Funding for open access charge: US National Institutes of Health P41 HG003751. NR 11 TC 480 Z9 491 U1 2 U2 14 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0305-1048 J9 NUCLEIC ACIDS RES JI Nucleic Acids Res. PD JAN PY 2009 VL 37 BP D619 EP D622 DI 10.1093/nar/gkn863 PG 4 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 386TT UT WOS:000261906200110 PM 18981052 ER PT J AU Novichkov, PS Ratnere, I Wolf, YI Koonin, EV Dubchak, I AF Novichkov, Pavel S. Ratnere, Igor Wolf, Yuri I. Koonin, Eugene V. Dubchak, Inna TI ATGC: a database of orthologous genes from closely related prokaryotic genomes and a research platform for microevolution of prokaryotes SO NUCLEIC ACIDS RESEARCH LA English DT Article ID EVOLUTIONARY GENOMICS; HIGH-THROUGHPUT; ALIGNMENT; BACTERIA; ARCHAEA; TOOL AB The database of Alignable Tight Genomic Clusters (ATGCs) consists of closely related genomes of archaea and bacteria, and is a resource for research into prokaryotic microevolution. Construction of a data set with appropriate characteristics is a major hurdle for this type of studies. With the current rate of genome sequencing, it is difficult to follow the progress of the field and to determine which of the available genome sets meet the requirements of a given research project, in particular, with respect to the minimum and maximum levels of similarity between the included genomes. Additionally, extraction of specific content, such as genomic alignments or families of orthologs, from a selected set of genomes is a complicated and time-consuming process. The database addresses these problems by providing an intuitive and efficient web interface to browse precomputed ATGCs, select appropriate ones and access ATGC-derived data such as multiple alignments of orthologous proteins, matrices of pairwise intergenomic distances based on genome-wide analysis of synonymous and nonsynonymous substitution rates and others. The ATGC database will be regularly updated following new releases of the NCBI RefSeq. The database is hosted by the Genomics Division at Lawrence Berkeley National laboratory and is publicly available at http://atgc.lbl.gov C1 [Novichkov, Pavel S.; Dubchak, Inna] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Ratnere, Igor; Dubchak, Inna] Joint Genome Inst, Dept Energy, Walnut Creek, CA 94598 USA. [Wolf, Yuri I.; Koonin, Eugene V.] Natl Ctr Biotechnol Informat, Natl Lib Med, NIH, Bethesda, MD 20894 USA. RP Novichkov, PS (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM psnovichkov@lbl.gov FU US Department of Energy [DE-AC02-05CH11231]; Department of Energy Joint Genome Institute; US Department of Health and Human Services FX US Department of Energy (DE-AC02-05CH11231); Department of Energy Joint Genome Institute (to I. R.); the intramural research program of the US Department of Health and Human Services (National Library of Medicine, NIH to Y.I.W. and E.V.K.). NR 26 TC 30 Z9 30 U1 1 U2 6 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0305-1048 J9 NUCLEIC ACIDS RES JI Nucleic Acids Res. PD JAN PY 2009 VL 37 BP D448 EP D454 DI 10.1093/nar/gkn684 PG 7 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 386TT UT WOS:000261906200081 PM 18845571 ER PT S AU Caputo, JG Kazantseva, E Maimistov, A AF Caputo, J. -G. Kazantseva, E. Maimistov, A. BE Simos, TE Psihoyios, G Tsitouras, C TI Fast Electromagnetic Response of a Thin Film of Resonant Atoms with Permanent Dipole SO NUMERICAL ANALYSIS AND APPLIED MATHEMATICS, VOLS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on Numerical Analysis and Applied Mathematics CY SEP 18-22, 2009 CL Rethymnon, GREECE SP Greek Minist Educ & Religious Affairs, European Soc Computat Methods Sci & Engn DE thin film; two level atoms; permanent dipole; refractive phenomena AB We consider the propagation of extremely short pulses through a dielectric thin film containing resonant atoms (two level atoms) with permanent dipole. Assuming that the film width is less than the field wave length, we can solve the wave equation and reduce the problem to a system of generalized Bloch equations describing the resonant atoms. We compute the stationary solutions for a constant irradiation of the film. Superimposing a small amplitude linear wave we compute the reflection and transmission coefficients. From these, one can then deduce the different parameters of the model. We believe this technique could be used in experiments to obtain the medium atomic and relaxation parameters. C1 [Caputo, J. -G.] INSA Rouen, Math Lab, BP 8, F-76131 Mont St Aignan, France. [Kazantseva, E.] Oak Ridge Natl Lab, Ctr Engn Sci Adv Res, Oak Ridge, TN 37831 USA. [Maimistov, A.] Moscow Engn Phys Inst, Dept Solid State Phys & Nanosyst, Moscow 115409, Russia. RP Caputo, JG (reprint author), INSA Rouen, Math Lab, BP 8, F-76131 Mont St Aignan, France. EM caputo@insa-rouen.fr; kazantsevaev@ornl.gov; amaimistov@gmail.com NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0709-1 J9 AIP CONF PROC PY 2009 VL 1168 BP 1222 EP + PG 2 WC Mathematics, Applied; Physics, Mathematical SC Mathematics; Physics GA BMO15 UT WOS:000273023600297 ER PT S AU Sandu, A Constantinescu, EM AF Sandu, Adrian Constantinescu, Emil M. BE Simos, TE Psihoyios, G Tsitouras, C TI Multirate Time Discretizations for Hyperbolic Partial Differential Equations SO NUMERICAL ANALYSIS AND APPLIED MATHEMATICS, VOLS 1 AND 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on Numerical Analysis and Applied Mathematics CY SEP 18-22, 2009 CL Rethymnon, GREECE SP Greek Minist Educ & Religious Affairs, European Soc Computat Methods Sci & Engn DE multirate time integration; hyperbolic conservation laws; nonlinear stability; strong stability preservation ID CONSERVATION-LAWS AB This paper constructs multirate time discretizations for hyperbolic conservation laws that allow different timesteps to be used in different parts of the spatial domain. The second order accurate time discretizations proposed have conservation and linear and nonlinear stability properties under local CFL conditions. Multirate timestepping avoids the necessity to take small global timesteps (restricted by the largest value of the Courant number on the grid) and therefore results in more efficient algorithms. C1 [Sandu, Adrian] Virginia Polytech Inst & State Univ, Dept Comp Sci, Blacksburg, VA 24061 USA. [Constantinescu, Emil M.] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Sandu, A (reprint author), Virginia Polytech Inst & State Univ, Dept Comp Sci, Blacksburg, VA 24061 USA. EM sandu@cs.vt.edu; emconsta@mcs.anl.gov FU NSF FX This work was supported by NSF. NR 5 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0709-1 J9 AIP CONF PROC PY 2009 VL 1168 BP 1411 EP + PG 2 WC Mathematics, Applied; Physics, Mathematical SC Mathematics; Physics GA BMO15 UT WOS:000273023600346 ER PT J AU Gee, MW Hu, JJ Tuminaro, RS AF Gee, Michael W. Hu, Jonathan J. Tuminaro, Raymond S. TI A new smoothed aggregation multigrid method for anisotropic problems SO NUMERICAL LINEAR ALGEBRA WITH APPLICATIONS LA English DT Article DE AMG; multigrid; algebraic multigrid; smoothed aggregation; anisotropy AB A new prolongator is proposed for smoothed aggregation (SA) multigrid. The proposed prolongator addresses a limitation of standard SA when it is applied to anisotropic problems. For anisotropic problems, it is fairly standard to generate small aggregates (used to mimic semi-coarsening) in order to coarsen only in directions of strong coupling. Although beneficial to convergence, this can lead to a prohibitively large number of non-zeros in the standard SA prolongator and the corresponding coarse discretization operator. To avoid this, the new prolongator modifies the standard prolongator by shifting support (non-zeros within a prolongator column) from one aggregate to another to satisfy a specified non-zero pattern. This leads to a sparser operator that can be used effectively within a multigrid V-cycle. The key to this algorithm is that it preserves certain null space interpolation properties that are central to SA for both scalar and systems of partial differential equations (PDEs). We present two-dimensional and three-dimensional numerical experiments to demonstrate that the new method is competitive with standard SA for scalar problems, and significantly better for problems arising from PDE systems. Copyright (C) 2008 John Wiley & Sons, Ltd. C1 [Gee, Michael W.] Tech Univ Munich, Chair Computat Mech, D-85747 Garching, Germany. [Hu, Jonathan J.; Tuminaro, Raymond S.] Sandia Natl Labs, Scalable Algorithms, Livermore, CA 94551 USA. RP Gee, MW (reprint author), Tech Univ Munich, Chair Computat Mech, Boltzmannstr 15, D-85747 Garching, Germany. EM gee@lnm.mw.tum.de RI Gee, Michael/G-1490-2012 FU United States Department of Energy [DE-AC04-94-AL85000] FX Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under contract DE-AC04-94-AL85000. NR 14 TC 19 Z9 20 U1 0 U2 4 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 1070-5325 J9 NUMER LINEAR ALGEBR JI Numer. Linear Algebr. Appl. PD JAN PY 2009 VL 16 IS 1 BP 19 EP 37 DI 10.1002/nla.593 PG 19 WC Mathematics, Applied; Mathematics SC Mathematics GA 391BM UT WOS:000262207700002 ER PT B AU Lim, H Yu, Y Glimm, J Li, XL Sharp, DH AF Lim, H. Yu, Y. Glimm, J. Li, X. -L. Sharp, D. H. BE Pogorelov, NV Audit, E Colella, P Zank, GP TI Subgrid Models in Turbulent Mixing SO NUMERICAL MODELING OF SPACE PLASMA FLOWS: ASTRONUM-2008 SE Astronomical Society of the Pacific Conference Series LA English DT Proceedings Paper CT 3rd International Conference on Numerical Modeling of Space Plasma Flows CY JUN 08-13, 2008 CL St Johns, VI SP Univ Calif, Inst Geophys & Planetary Phys, Universe French Commiss Atom Energy, Inst Investigat Fundamental Laws ID FRONT TRACKING; FLUID; TRANSPORT; DYNAMICS; FLOW AB We are concerned with the chaotic flow fields of turbulent mixing. Chaotic flow is found in an extreme form in multiply shocked Richtmyer-Meshkov unstable flows. The goal of a converged simulation for this problem is to obtain converged solutions for such micro solution features as the joint probability distributions of the temperature and species concentration, as well as the macro features such as the edges of the mixing region. Here we introduce parameterized subgrid models of mass and thermal diffusion, to define large eddy simulation (LES) that replicate the micro features observed in direct numerical simulation (DNS). The Schmidt numbers and Prandtl numbers are chosen to represent typical liquid and gas parameter values. The viscosity, and thus the Reynolds number, is allowed to vary through a range of values, to allow exploration of both DNS and LES regimes. Our main result is to explore the dependence of these solutions on mesh and Reynolds number. C1 [Lim, H.; Yu, Y.; Glimm, J.; Li, X. -L.] SUNY Stony Brook, Dept Appl Math & Stat, Stony Brook, NY 11794 USA. [Glimm, J.] Brookhaven Natl Lab, Computat Sci Ctr, Upton, NY 11793 USA. [Sharp, D. H.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Lim, H (reprint author), SUNY Stony Brook, Dept Appl Math & Stat, Stony Brook, NY 11794 USA. EM glimm@ams.sunysb.edu NR 12 TC 0 Z9 0 U1 0 U2 1 PU ASTRONOMICAL SOC PACIFIC PI SAN FRANCISCO PA 390 ASHTON AVE, SAN FRANCISCO, CA 94112 USA BN 978-1-58381-692-9 J9 ASTR SOC P PY 2009 VL 406 BP 42 EP + PG 2 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BJW00 UT WOS:000267287200006 ER PT B AU Colella, P Dorr, M Hittinger, J McCorquodale, PW Martin, DF AF Colella, P. Dorr, M. Hittinger, J. McCorquodale, P. W. Martin, D. F. BE Pogorelov, NV Audit, E Colella, P Zank, GP TI High-Order Finite-Volume Methods on Locally-Structured Grids SO NUMERICAL MODELING OF SPACE PLASMA FLOWS: ASTRONUM-2008 SE Astronomical Society of the Pacific Conference Series LA English DT Proceedings Paper CT 3rd International Conference on Numerical Modeling of Space Plasma Flows CY JUN 08-13, 2008 CL St Johns, VI SP Univ Calif, Inst Geophys & Planetary Phys, Universe French Commiss Atom Energy, Inst Investigat Fundamental Laws ID PPM AB We describe recent developments in high-order (greater than second-order) accurate finite-volume discretizations of partial differential equations (PDE) in divergence form. We will address a number of algorithmic issues that arise in these methods, including the choice of limiters for hyperbolic problems that preserve high-order accuracy; defining quadrature rules for fluxes on mapped grids that are freestream-preserving; and high-order interpolation of ghost cell values at block or refinement boundaries. C1 [Colella, P.; McCorquodale, P. W.; Martin, D. F.] Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, 1 Cyclotron Rd,MS 50A-1148, Berkeley, CA 94720 USA. [Dorr, M.; Hittinger, J.] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94550 USA. RP Colella, P (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, 1 Cyclotron Rd,MS 50A-1148, Berkeley, CA 94720 USA. EM colella@hpcrd.lbl.gov NR 6 TC 4 Z9 4 U1 0 U2 0 PU ASTRONOMICAL SOC PACIFIC PI SAN FRANCISCO PA 390 ASHTON AVE, SAN FRANCISCO, CA 94112 USA BN 978-1-58381-692-9 J9 ASTR SOC P PY 2009 VL 406 BP 207 EP + PG 2 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BJW00 UT WOS:000267287200027 ER PT B AU Henshaw, WD AF Henshaw, William D. BE Pogorelov, NV Audit, E Colella, P Zank, GP TI Solving Partial Differential Equations on Overlapping Grids SO NUMERICAL MODELING OF SPACE PLASMA FLOWS: ASTRONUM-2008 SE ASTRONOMICAL SOCIETY OF THE PACIFIC CONFERENCE SERIES LA English DT Proceedings Paper CT 3rd International Conference on Numerical Modeling of Space Plasma Flows CY JUN 08-13, 2008 CL St Johns, VI SP Univ Cal, Inst Geophys & Planetary Phys, Universe French Commiss Atom Energy, Inst Investigat Fundamental Laws ID NAVIER-STOKES EQUATIONS; ADAPTIVE MESH REFINEMENT; FLOW AB We discuss the solution of partial differential equations on overlapping grids. This is a powerful technique for efficiently solving problems in complex, possibly moving, geometry. An overlapping grid consists of a set of structured grids that overlap and cover the computational domain. By allowing the grids to overlap, grids for complex geometries can be more easily constructed. The overlapping grid approach can also be used to remove coordinate singularities by, for example, covering a sphere with two or more patches. We describe the application of the overlapping grid approach to a, variety of different problems. These include the solution of incompressible fluid flows with moving geometry, the solution of high-speed compressible reactive flow with moving rigid bodies using adaptive mesh refinement, and the solution of the time-domain Maxwell's equations of electromagnetism. C1 Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. RP Henshaw, WD (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, POB 808,L-550, Livermore, CA 94551 USA. EM henshaw1@llnl.gov NR 11 TC 1 Z9 1 U1 0 U2 0 PU ASTRONOMICAL SOC PACIFIC PI SAN FRANCISCO PA 390 ASHTON AVE, SAN FRANCISCO, CA 94112 USA BN 978-1-58381-692-9 J9 ASTR SOC P PY 2009 VL 406 BP 231 EP 236 PG 6 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BJW00 UT WOS:000267287200030 ER PT B AU Van Straalen, B Colella, P Graves, D Ligocki, T Keen, N AF Van Straalen, B. Colella, P. Graves, D. Ligocki, T. Keen, N. BE Pogorelov, NV Audit, E Colella, P Zank, GP TI Elliptic Solvers For Structured Adaptive Mesh Refinement SO NUMERICAL MODELING OF SPACE PLASMA FLOWS: ASTRONUM-2008 SE Astronomical Society of the Pacific Conference Series LA English DT Proceedings Paper CT 3rd International Conference on Numerical Modeling of Space Plasma Flows CY JUN 08-13, 2008 CL St Johns, VI SP Univ Calif, Inst Geophys & Planetary Phys, Universe French Commiss Atom Energy, Inst Investigat Fundamental Laws AB In this paper, we discuss some of the issues in obtaining high performance for block-structured adaptive mesh refinement software for Poisson's equation. We show examples in which AMR scales to thousands of processors. We also discuss a number of metrics for performance and scalability that can provide a, basis for understanding the advantages and disadvantages of this approach. C1 [Van Straalen, B.; Colella, P.; Graves, D.; Ligocki, T.; Keen, N.] Univ Calif Berkeley, Lawrence Berkeley Lab, High Performance Res Dept, Appl Numer Algorithms Grp, 1 Cyclotron Rd,MS 50A-1148, Berkeley, CA 94720 USA. RP Van Straalen, B (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, High Performance Res Dept, Appl Numer Algorithms Grp, 1 Cyclotron Rd,MS 50A-1148, Berkeley, CA 94720 USA. EM bvstraalen@lbl.gov; colella@hpcrd.lbl.gov NR 7 TC 0 Z9 0 U1 1 U2 1 PU ASTRONOMICAL SOC PACIFIC PI SAN FRANCISCO PA 390 ASHTON AVE, SAN FRANCISCO, CA 94112 USA BN 978-1-58381-692-9 J9 ASTR SOC P PY 2009 VL 406 BP 293 EP + PG 2 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BJW00 UT WOS:000267287200039 ER PT B AU Bethel, EW Rubel, O Prabhat Wu, KS Weber, GH Pascucci, V Childs, H Mascarenhas, A Meredith, J Ahern, S AF Bethel, E. Wes Ruebel, Oliver Prabhat Wu, Kesheng Weber, Gunther H. Pascucci, Valerio Childs, Hank Mascarenhas, Ajith Meredith, Jeremy Ahern, Sean BE Pogorelov, NV Audit, E Colella, P Zank, GP TI Modern Scientific Visualization is More than Just Pretty Pictures SO NUMERICAL MODELING OF SPACE PLASMA FLOWS: ASTRONUM-2008 SE Astronomical Society of the Pacific Conference Series LA English DT Proceedings Paper CT 3rd International Conference on Numerical Modeling of Space Plasma Flows CY JUN 08-13, 2008 CL St Johns, VI SP Univ Calif, Inst Geophys & Planetary Phys, Universe French Commiss Atom Energy, Inst Investigat Fundamental Laws ID SURFACES AB While the primary product of scientific visualization is images and movies, its primary objective is really scientific insight. Too often, the focus of visualization research is oil the product, riot the mission. This paper presents two case studies, both that appear in previous publications, that focus oil using visualization technology to produce insight. The first applies "Query-Driven Visualization" concepts to laser wakefield Simulation data to help identify and analyze tire process of beam formation. The second uses topological analysis to provide a quantitative basis for (i) understanding the mixing process in hydrodynamic simulations, and (ii) performing comparative analysis of data from two different types of simulations that model hydrodynamic instability. C1 [Bethel, E. Wes; Ruebel, Oliver; Prabhat; Wu, Kesheng; Weber, Gunther H.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Bethel, EW (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd,MS 50F-1650, Berkeley, CA 94720 USA. EM ewbethel@lbl.gov; ghweber@lbl.gov NR 26 TC 1 Z9 1 U1 0 U2 13 PU ASTRONOMICAL SOC PACIFIC PI SAN FRANCISCO PA 390 ASHTON AVE, SAN FRANCISCO, CA 94112 USA BN 978-1-58381-692-9 J9 ASTR SOC P PY 2009 VL 406 BP 301 EP 316 PG 16 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BJW00 UT WOS:000267287200040 ER PT J AU Marrone, S Wojtsekhowski, BB Acha, A Cisbani, E Coman, M Cusanno, F De Jager, CW De Leo, R Gao, H Garibaldi, F Higinbotham, DW Iodice, M LeRose, JJ Macchia, D Markowitz, P Nappi, E Palmisano, F Urciuoli, GM Van der Werf, I Xiang, H Zhu, LY AF Marrone, S. Wojtsekhowski, B. B. Acha, A. Cisbani, E. Coman, M. Cusanno, F. De Jager, C. W. De Leo, R. Gao, H. Garibaldi, F. Higinbotham, D. W. Iodice, M. LeRose, J. J. Macchia, D. Markowitz, P. Nappi, E. Palmisano, F. Urciuoli, G. M. Van der Werf, I. Xiang, H. Zhu, L. Y. TI Performance of the two aerogel Cherenkov detectors of the JLab Hall A hadron spectrometer SO NUOVO CIMENTO DELLA SOCIETA ITALIANA DI FISICA B-GENERAL PHYSICS RELATIVITY ASTRONOMY AND MATHEMATICAL PHYSICS AND METHODS LA English DT Article ID JEFFERSON-LAB; SILICA AEROGEL; RADIATOR; RICH; COUNTERS; HERMES AB We report on the design and commissioning of two silica aerogel Cherenkov detectors with different refractive indices. In particular, very high performance in terms of the number of detected photoelectrons was achieved through an appropriate choice of PMT type and reflector, along with some design considerations. After four years of operation, the number of detected photoelectrons was found to be noticeably reduced in both detectors as a, result of contamination, yellowing, of the aerogel material. Along with the details of the set-up, we illustrate the characteristics of the detectors during different time periods and the probable causes of the contamination. In particular we show that the replacement of the contaminated aerogel mid parts of the reflecting material has almost; restored the initial performance of the detectors. C1 [Marrone, S.; Macchia, D.; Nappi, E.] Ist Nazl Fis Nucl, Sez Bari, I-70126 Bari, Italy. [Wojtsekhowski, B. B.; De Jager, C. W.; Higinbotham, D. W.; LeRose, J. J.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA USA. [Acha, A.; Coman, M.; Markowitz, P.] Florida Int Univ, Miami, FL 33199 USA. [Cisbani, E.; Garibaldi, F.] Ist Super Sanita, I-00161 Rome, Italy. [Cisbani, E.; Garibaldi, F.] Ist Nazl Fis Nucl, Sez Roma, Grp Sanita, Rome, Italy. [De Leo, R.; Macchia, D.] Univ Bari, Dipartmento Fis, Bari, Italy. [Gao, H.; Xiang, H.; Zhu, L. Y.] MIT, Cambridge, MA 02139 USA. [Iodice, M.] Ist Nazl Fis Nucl, Sez Roma Tre, Rome, Italy. [Palmisano, F.; Van der Werf, I.] Univ Bari, Dipartmento Chim, Bari, Italy. RP Marrone, S (reprint author), Ist Nazl Fis Nucl, Sez Bari, I-70126 Bari, Italy. EM stefano.marrone@ba.infn.it RI Higinbotham, Douglas/J-9394-2014; Cisbani, Evaristo/C-9249-2011; OI Higinbotham, Douglas/0000-0003-2758-6526; Cisbani, Evaristo/0000-0002-6774-8473; Palmisano, Francesco/0000-0003-3706-9397 FU US Department of Energy [DE-AC05-84150]; Italian Istituto Nazionale di Fisica Nucleare FX The authors wish to acknowledge the constructive discussions with H. BREUER, P. BRINDZA, C. ZORN and J. SEGAL together with help from the technical staff of INFN-Sanita: S. COLILLI, R.. FRATONI, F. GIULIANI, M. GMCIA M. LUCENTINI and P. SANTAVENERE, who have contributed in excellent way to this work. Part of this paper is D. MACCHIA's Diploma thesis. SM wishes to acknowledge the warm hospitality of the colleagues during his stay at Jefferson Lab. This work has been made possible by grants from Thomas Jefferson National Accelerator Facility which is funded by US Department of Energy under the contract, no. DE-AC05-84150, modification no. M175, under which the Southeastern Universities Research Association, Inc. operates the facility: and from the Italian Istituto Nazionale di Fisica Nucleare. NR 37 TC 2 Z9 2 U1 0 U2 1 PU SOC ITALIANA FISICA PI BOLOGNA PA VIA SARAGOZZA, 12, I-40123 BOLOGNA, ITALY SN 1594-9982 J9 NUOVO CIMENTO B JI Nouvo Cimento Soc. Ital. Fis. B-Gen. Phys. Relativ. Astron. Math. Phys. Methods PD JAN PY 2009 VL 124 IS 1 BP 99 EP 114 DI 10.1393/ncb/i2009-10743-5 PG 16 WC Physics, Multidisciplinary SC Physics GA 468BK UT WOS:000267788100009 ER PT J AU Volkow, ND Wang, GJ Telang, F Fowler, JS Goldstein, RZ Alia-Klein, N Logan, J Wong, C Thanos, PK Ma, Y Pradhan, K AF Volkow, Nora D. Wang, Gene-Jack Telang, Frank Fowler, Joanna S. Goldstein, Rita Z. Alia-Klein, Nelly Logan, Jean Wong, Christopher Thanos, Panayotis K. Ma, Yemine Pradhan, Kith TI Inverse Association Between BMI and Prefrontal Metabolic Activity in Healthy Adults SO OBESITY LA English DT Article ID BODY-MASS INDEX; BRAIN DOPAMINE ACTIVITY; WORKING-MEMORY; FOLLOW-UP; IN-VIVO; OBESITY; IMPAIRMENT; DECLINE; MODEL; INDIVIDUALS AB Obesity has been associated with a higher risk for impaired cognitive function, which most likely reflects associated medical complications (i.e., cerebrovascular pathology). However, there is also evidence that in healthy individuals excess weight may adversely affect cognition (executive function, attention, and memory). Here, we measured regional brain glucose metabolism (using positron emission tomography (PET) and 2-deoxy-2[(18)F] fluoro-D-glucose (FDG)) to assess the relationship between BMI and brain metabolism (marker of brain function) in 21 healthy controls (BMI range 19-37 kg/m(2)) studied during baseline (no stimulation) and during cognitive stimulation (numerical calculations). Statistical parametric mapping (SPM) revealed a significant negative correlation between BMI and metabolic activity in prefrontal cortex (Brodmann areas 8, 9, 10, 11, 44) and cingulate gyrus (Brodmann area 32) but not in other regions. Moreover, baseline metabolism in these prefrontal regions was positively associated with performance on tests of memory (California Verbal Learning Test) and executive function (Stroop Interference and Symbol Digit Modality tests). In contrast, the regional brain changes during cognitive stimulation were not associated with BMI nor with neuropsychological performance. The observed association between higher BMI and lower baseline prefrontal metabolism may underlie the impaired performance reported in healthy obese individuals on some cognitive tests of executive function. On the other hand, the lack of an association between BMI and brain metabolic activation during cognitive stimulation indicates that BMI does not influence brain glucose utilization during cognitive performance. These results further highlight the urgency to institute public health interventions to prevent obesity. C1 [Volkow, Nora D.] NIDA, Bethesda, MD 20892 USA. [Volkow, Nora D.; Telang, Frank; Thanos, Panayotis K.; Ma, Yemine] NIAAA, Bethesda, MD USA. [Wang, Gene-Jack; Fowler, Joanna S.; Goldstein, Rita Z.; Alia-Klein, Nelly; Logan, Jean; Wong, Christopher; Pradhan, Kith] Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. RP Volkow, ND (reprint author), NIDA, Bethesda, MD 20892 USA. EM nvolkow@nida.nih.gov OI Logan, Jean/0000-0002-6993-9994 FU NIH's Intramural Research Program (NIAAA); DOE [DE-AC01-76CH00016]; NIDA [DA06278-15] FX We thank David Schlyer, David Alexoff, Paul Vaska, Millard Jayne, Colleen Shea, Youwen Xu, Lisa Muench, Pauline Carter, Karen Apelskog, Barbara Hubbard, Thomas Maloney, Patricia Woicik, and Linda Thomas for their contributions. Research supported by NIH's Intramural Research Program (NIAAA), by DOE (DE-AC01-76CH00016), and NIDA (DA06278-15). NR 37 TC 118 Z9 118 U1 5 U2 15 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1930-7381 J9 OBESITY JI Obesity PD JAN PY 2009 VL 17 IS 1 BP 60 EP 65 DI 10.1038/oby.2008.469 PG 6 WC Endocrinology & Metabolism; Nutrition & Dietetics SC Endocrinology & Metabolism; Nutrition & Dietetics GA 389QQ UT WOS:000262110000009 PM 18948965 ER PT S AU Striegnitz, J Davis, K AF Striegnitz, Joerg Davis, Kei BE Eugster, P TI Multiparadigm Programming in Object-Oriented Languages: Current Research Report on the Workshop MPOOL'08 at ECOOP 2008 SO OBJECT-ORIENTED TECHNOLOGY: ECOOP 2008 WORKSHOP READER SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 22nd European Conference on Object-Oriented Programming (ECOOP 2008) CY JUL 07-11, 2008 CL Paphos, CYPRUS SP Univ Cyprus, Dept Comp Sci, AITO, ACM SIGPLAN, ACM SIGSOFT, IBM, Microsoft Res, Google AB While OO has, become ubiquitously employed for design; implementation, and even conceptualization, many practitioners recognize the concomitant need for other programming paradigms according to problem domain. Nevertheless, the choice of a programming paradigm is strongly influenced by the supporting programming language facilities. In turn, choice of programming language is usually highly constrained by practical considerations. We seek answers to the question of how to address the need for other programming paradigms, or even domain specific languages, in the general context of OO languages. It is clear that this field is active and fluid: novel, disparate approaches' and techniques are still being discovered or invented, And this very novelty adds a. significant element of intellectual entertainment. This article describes the cross section of research efforts reported at the, workshop on Multiparadigm Programming in Object-Oriented Languages held at, the 2008 European Conference on Object-Oriented Programming. C1 [Striegnitz, Joerg] Univ Appl Sci Regensburg, D-93053 Regensburg, Germany. [Davis, Kei] Los Alamos Natl Lab, Los Alamos 87545, NM USA. RP Davis, K (reprint author), Los Alamos Natl Lab, Los Alamos 87545, NM USA. EM joerg.striegnitz@informtik.fh-regensburg.de; kei.davis@lanl.gov NR 15 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-02046-9 J9 LECT NOTES COMPUT SC PY 2009 VL 5475 BP 7 EP + PG 7 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA BJV46 UT WOS:000267260400002 ER PT S AU Davis, K Striegnitz, J AF Davis, Kei Striegnitz, Joerg BE Eugster, P TI Parallel/High-Performance Object-Oriented Scientific Computing: Today's Research, Tomorrow's Practice Report on the 7th POOSC Workshop, ECOOP 2008 SO OBJECT-ORIENTED TECHNOLOGY: ECOOP 2008 WORKSHOP READER SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 22nd European Conference on Object-Oriented Programming (ECOOP 2008) CY JUL 07-11, 2008 CL Paphos, CYPRUS SP Univ Cyprus, Dept Comp Sci, AITO, ACM SIGPLAN, ACM SIGSOFT, IBM, Microsoft Res, Google DE Parallel computing; high-perfomance computing; scientific computing; object-oriented computing AB While object-oriented programming has been embraced in industry, particularly in the form of C++, Java, and Python, its acceptance by the parallel scientific programming community is for various reasons incomplete. Nonetheless, various factors practically dictate the rise of language features that provide higher level abstractions than do C or older FORTRAN standards. These include increasingly complex physics models, numerical algorithms, and hardware (e.g. deep memory hierarchies, ever-increasing numbers of processors, and the advent of multi- and manycore processors and heterogeneous architectures). Our emphases are oil identifying specific problems impeding greater acceptance and widespread use of object-oriented programming in scientific computing; proposed and implemented solutions to these problems; and new or novel frameworks, approaches, techniques, or idioms for parallel/high-performance object-oriented scientific computing. C1 [Davis, Kei] Los Alamos Natl Lab, Performance & Architecture Lab Comp Sci High Perf, CCS 1,MS B287, Los Alamos, NM 87545 USA. [Striegnitz, Joerg] Univ Appl Sci Regensburg, Regensburg 93053, Germany. RP Davis, K (reprint author), Los Alamos Natl Lab, Performance & Architecture Lab Comp Sci High Perf, CCS 1,MS B287, Los Alamos, NM 87545 USA. EM kei.davis@lanl.gov; joerg.striegnitz@informtik.fh-regensburg.de NR 0 TC 0 Z9 0 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-02046-9 J9 LECT NOTES COMPUT SC PY 2009 VL 5475 BP 104 EP + PG 4 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA BJV46 UT WOS:000267260400011 ER PT J AU Yong, LC Sigurdson, AJ Ward, EM Waters, MA Whelan, EA Petersen, MR Bhatti, P Ramsey, MJ Ron, E Tucker, JD AF Yong, L. C. Sigurdson, A. J. Ward, E. M. Waters, M. A. Whelan, E. A. Petersen, M. R. Bhatti, P. Ramsey, M. J. Ron, E. Tucker, J. D. TI Increased frequency of chromosome translocations in airline pilots with long-term flying experience SO OCCUPATIONAL AND ENVIRONMENTAL MEDICINE LA English DT Article ID COSMIC-RADIATION EXPOSURE; AIR CREW MEMBERS; IONIZING-RADIATION; CANCER-RISK; ABERRATION ANALYSIS; LYMPHOCYTES; WORKERS; DAMAGE; FISH; BIODOSIMETRY AB Background: Chromosome translocations are an established biomarker of cumulative exposure to external ionising radiation. Airline pilots are exposed to cosmic ionising radiation, but few flight crew studies have examined translocations in relation to flight experience. Methods: We determined the frequency of translocations in the peripheral blood lymphocytes of 83 airline pilots and 50 comparison subjects (mean age 47 and 46 years, respectively). Translocations were scored in an average of 1039 cell equivalents (CE) per subject using fluorescence in situ hybridisation (FISH) whole chromosome painting and expressed per 100 CE. Negative binomial regression models were used to assess the relationship between translocation frequency and exposure status and flight years, adjusting for age, diagnostic x ray procedures, and military flying. Results: There was no significant difference in the adjusted mean translocation frequency of pilots and comparison subjects (0.37 (SE 0.04) vs 0.38 (SE 0.06) translocations/100 CE, respectively). However, among pilots, the adjusted translocation frequency was significantly associated with flight years (p = 0.01) with rate ratios of 1.06 (95% CI 1.01 to 1.11) and 1.81 (95% CI 1.16 to 2.82) for a 1- and 10-year incremental increase in flight years, respectively. The adjusted rate ratio for pilots in the highest compared to the lowest quartile of flight years was 2.59 (95% CI 1.26 to 5.33). Conclusions: Our data suggests that pilots with long-term flying experience may be exposed to biologically significant doses of ionising radiation. Epidemiological studies with longer follow-up of larger cohorts of pilots with a wide range of radiation exposure levels are needed to clarify the relationship between cosmic radiation exposure and cancer risk. C1 [Yong, L. C.; Waters, M. A.; Whelan, E. A.; Petersen, M. R.] NIOSH, Industrywide Studies Branch, Div Surveillance Hazard Evaluat & Field Studies, Cincinnati, OH 45226 USA. [Sigurdson, A. J.; Bhatti, P.; Ron, E.] NCI, Div Canc Epidemiol & Genet, Bethesda, MD 20892 USA. [Ward, E. M.] Amer Canc Soc, Dept Epidemiol & Surveillance Res, Atlanta, GA 30329 USA. [Ramsey, M. J.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Tucker, J. D.] Wayne State Univ, Dept Biol Sci, Detroit, MI 48202 USA. RP Yong, LC (reprint author), NIOSH, Industrywide Studies Branch, Div Surveillance Hazard Evaluat & Field Studies, 4676 Columbia Pkwy,R-15, Cincinnati, OH 45226 USA. EM LAY7@CDC.GOV RI Waters, Martha/B-7441-2011 FU National Institute for Occupational Safety and Health and the National Cancer Institute [Y1CP802904]; Intramural Research Program of the Division of Cancer Epidemiology and Genetics, National Cancer Institute FX This research was supported in part by an interagency agreement between the National Institute for Occupational Safety and Health and the National Cancer Institute contract Y1CP802904 and by the Intramural Research Program of the Division of Cancer Epidemiology and Genetics, National Cancer Institute. Work was performed in part under the auspices of the U. S. DOE by the Lawrence Livermore National Laboratory under contract no. W-7405-ENG-48. NR 40 TC 27 Z9 28 U1 2 U2 13 PU B M J PUBLISHING GROUP PI LONDON PA BRITISH MED ASSOC HOUSE, TAVISTOCK SQUARE, LONDON WC1H 9JR, ENGLAND SN 1351-0711 J9 OCCUP ENVIRON MED JI Occup. Environ. Med. PD JAN PY 2009 VL 66 IS 1 BP 56 EP 62 DI 10.1136/oem.2008.038901 PG 7 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 385SH UT WOS:000261833400011 PM 19074211 ER PT J AU Ozgokmen, TM Iliescu, T Fischer, PF AF Ozgokmen, Tamay M. Iliescu, Traian Fischer, Paul F. TI Reynolds number dependence of mixing in a lock-exchange system from direct numerical and large eddy simulations SO OCEAN MODELLING LA English DT Article DE LES; DNS; Reynolds number; Mixing ID SPECTRAL ELEMENT MODEL; TURBULENCE CLOSURE MODELS; AVAILABLE POTENTIAL-ENERGY; GRAVITY-CURRENT HEAD; SUBGRID-SCALE MODEL; FREE SHEAR LAYERS; DENSITY CURRENTS; STRATIFIED FLOWS; MIXED-LAYER; ENTRAINMENT AB Turbulent mixing of water masses of different temperatures and salinities is an important process for both coastal and large-scale ocean circulation. It is, however, difficult to capture computationally. One of the reasons is that mixing in the ocean occurs at a wide range of complexity, with the Reynolds number reaching Re = O(10(6)), or even higher. In this study, we continue to investigate whether large eddy simulation (LES) can be a reliable computational tool for stratified mixing in turbulent oceanic flows. LES is attractive because it can be O(1000) times faster than a direct numerical simulation (DNS) of stratified mixing in turbulent flows. Before using the LES methodology to compute mixing in realistic oceanic flows, however, a careful assessment of the LES sensitivity with respect to Re needs to be performed first. The main objectives of this study are: (i) to investigate the performance of different LES models at high Re, such as those encountered in oceanic flows; and (ii) to study how mixing varies as a function of Re. To this end, as a benchmark we use the lock-exchange problem, which is described by unambigous and simple initial and boundary conditions. The background potential energy, which accurately quantifies irreversible mixing in an enclosed system, is used as the main criterion in a posteriori testing of LES. This study has two main achievements. The first is that we investigate the accuracy of six combinations of two different classes of LES models, namely eddy-viscosity and approximate deconvolution types, for 3 x 10(3) <= Re <= 3 x 10(4), for which DNS data is computed. We find that all LES models almost always provide significantly more accurate results than cases without LES models. Nevertheless, no single LES model that is persistently superior to others over this Re range could be identified. Then, an ensemble of the four best performing LES models is selected in order to estimate mixing taking place in this system at Re = 10(5) and 10(6), for which DNS is presently not feasible. Thus the second achievement of this study is to quantify mixing taking place in this system over an Re range that changes by three orders of magnitude. We find that the background potential energy increases by about 67% when Re is increased from Re = 10(3) to Re = 10(6), within the computation period, with the most significant increase taking place from Re = 3 x 10(3) to Re = 10(5). (C) 2009 Elsevier Ltd. All rights reserved. C1 [Ozgokmen, Tamay M.] Univ Miami, RSMAS MPO, Miami, FL USA. [Iliescu, Traian] Virginia Polytech Inst & State Univ, Dept Math, Blacksburg, VA 24061 USA. [Fischer, Paul F.] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Ozgokmen, TM (reprint author), Univ Miami, RSMAS MPO, Miami, FL USA. EM tozgokmen@rsmas.miami.edu FU National Science Foundation [OCE-0620661, OCE-0620464]; Collaborative Mathematics and Geoscience (CMG); University of Miami's FX We greatly appreciate the support of National Science Foundation via grants OCE-0620661 and OCE-0620464 under the Collaborative Mathematics and Geoscience (CMG) initiative. Most computations were carried out on the University of Miami's high-performance computing center (http://www.ccs.miami.edu/). We would like to thank the center's director Nicholas Tsinoremas, HPC director Joel Zysman, and Ashwanth Srinivasan for these resources and convenient access, and especially Zongjun Hu for his continuous daily assistance and help. A significant and important portion of the computations were completed on SystemX at Virginia Tech's advanced research computing center (http://www.arc.vt.edu). We thank Dr. Terry Herdman and Michael Snow for their help. We also thank the two anonymous reviewers for their constructive comments, which helped improve the manuscript. NR 93 TC 23 Z9 23 U1 0 U2 14 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1463-5003 EI 1463-5011 J9 OCEAN MODEL JI Ocean Model. PY 2009 VL 30 IS 2-3 BP 190 EP 206 DI 10.1016/j.ocemod.2009.06.013 PG 17 WC Meteorology & Atmospheric Sciences; Oceanography SC Meteorology & Atmospheric Sciences; Oceanography GA 496QW UT WOS:000269991500010 ER PT J AU Ilicak, M Ozgokmen, TM Ozsoy, E Fischer, PF AF Ilicak, Mehmet Oezgoekmen, Tamay M. Oezsoy, Emin Fischer, Paul F. TI Non-hydrostatic Modeling of Exchange Flows Across Complex Geometries SO OCEAN MODELLING LA English DT Article DE Exchange flows; Bosphorus strait flow; VLES; Hydraulic control ID LARGE-EDDY SIMULATION; SPECTRAL ELEMENT MODEL; AVAILABLE POTENTIAL-ENERGY; ATMOSPHERIC BOUNDARY-LAYER; INTERNAL GRAVITY-WAVE; FREE SHEAR LAYERS; BLACK-SEA; VORTICITY DYNAMICS; BOSPORUS STRAIT; TURBULENT-FLOW AB Flows between ocean and marginal sea basins are often connected by narrow channels and shallow sills. In this study, we address the effect of lateral and vertical geometric constrictions on mixing and hydraulic control. We conduct a set of numerical experiments of the lock-exchange problem in the presence of lateral and vertical contractions. Large eddy simulations (LES) are carried out using the high-order non-hydrostatic spectral element model Nek5000. A spanwise-averaged 2D non-hydrostatic model, denoted SAM, is also employed. Comparison between 2D and 3D models are conducted on the basis of the shape of the density interface and the time evolution of the background potential energy that quantifies the cumulative effects of the stratified mixing in the system. LES indicates that an S-shaped channel induces the highest amount of mixing possibly due to the additional shears caused by the centrifugal force. Vertical and horizontal constrictions enhance mixing by the trapping and breaking of the internal waves in between the obstacles. On the other hand, vertical and horizontal constrictions overlapping with each other restrain the rate of the exchange flow, reduce vertical shears and the mixing. The lowest mixing is encountered in a W-shaped channel. It is also found that SAM appears to be accurate in identifying the hydraulic control points due to both horizontal and vertical constrictions. A good agreement is found between SAM and inviscid two-layer theory regarding the steady-state location of the density interface. However SAM overestimates mixing with respect to LES since overturning eddies tend to merge in 2D, while they break down into smaller scales in 3D. SAM is then further tested a realistic application to model the flow in the Bosphorus Strait. Here, the main challenges of using SAM revolved around a non-trivial reduction of 3D geometry to a 2D mapping function, and excessive diffusion with simple closures. The realism of SAM improves significantly using a comprehensive turbulence closure of Very Large Eddy Simulation, VLES. In conclusion, exchange flows in narrow straits pose significant computational challenges due to the details of domain geometry and their impact on mixing. SAM with the VLES turbulence closure appears to be an attractive modeling tool for a first-order assessment of dynamical problems involving mixing and hydraulic effects. (C) 2009 Elsevier Ltd. All rights reserved. C1 [Ilicak, Mehmet; Oezgoekmen, Tamay M.] Univ Miami, RSMAS MPO, Miami, FL 33149 USA. [Oezsoy, Emin] Middle E Tech Univ, Inst Marine Sci, Erdemli, Icel, Turkey. [Fischer, Paul F.] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Ilicak, M (reprint author), Univ Miami, RSMAS MPO, 4600 Rickenbacker Cswy, Miami, FL 33149 USA. EM milicak@rsmas.miami.edu RI ILICAK, Mehmet/H-2219-2011 OI ILICAK, Mehmet/0000-0002-4777-8835 FU National Science Foundation [OCE 0620661]; Turkish Scientific and Technical Research Council; TUBITAK [105G029] FX Ilicak and Ozgokmen greatly appreciate the support of the National Science Foundation via grant OCE 0620661 under the Collaborative Mathematics and Geoscience program. Ozsoy would like to thank the Office of Naval Research Visiting Scientist Programme and the Turkish Scientific and Technical Research Council for their support that made this collaboration possible. Part of this activity was supported under the project 105G029 of TUBITAK. The majority of the computations were carried out on the University of Miami's computing center (http://ccs.miami.edu/hpc/), and we would like to thank Nicholas Tsinoremas, Joel Zysman, Ashwanth Srinivasan and Zonghun Hu for their help. An important portion of the computations were completed on SystemX at Virginia Tech's advanced research computing center (http://www.arc.vt.edu). We thank our close collaborator Traian Iliescu for providing the time on this facility. We thank two anonymous reviewers for many constructive comments, which helped significantly improve the manuscript. NR 67 TC 16 Z9 16 U1 1 U2 8 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1463-5003 EI 1463-5011 J9 OCEAN MODEL JI Ocean Model. PY 2009 VL 29 IS 3 BP 159 EP 175 DI 10.1016/j.ocemod.2009.04.002 PG 17 WC Meteorology & Atmospheric Sciences; Oceanography SC Meteorology & Atmospheric Sciences; Oceanography GA 510LI UT WOS:000271089600001 ER PT J AU Griesel, A Gille, ST Sprintall, J McClean, JL Maltrud, ME AF Griesel, Alexa Gille, Sarah T. Sprintall, Janet McClean, Julie L. Maltrud, Mathew E. TI Assessing eddy heat flux and its parameterization: A wavenumber perspective from a 1/10 degrees ocean simulation SO OCEAN MODELLING LA English DT Article DE Eddies; Parameterization; Divergence; Curl; Wavenumber; Southern Ocean ID SOUTHERN-OCEAN; CIRCULATION MODELS; MESOSCALE EDDIES; OVERTURNING CIRCULATION; POTENTIAL VORTICITY; CIRCUMPOLAR CURRENT; NUMERICAL-MODEL; TRANSPORT; THICKNESS; STRATIFICATION AB Diffusivities diagnosed from eddy heat fluxes in eddying models tend to show unphysically large positive and negative values. These have been attributed to rotational components that do not influence the heat budget. The rotational component of the horizontal eddy heat flux is diagnosed in the Southern Ocean of the 1/10 degrees Parallel Ocean Program as a function of averaging lengthscale. At the scales at which most of the eddy heat flux energy occurs, the rotational component, as measured by its curl, accounts for more than 95% of the total flux, increasing to more than 99% with increasing lengthscale. Hence, rotational components are the dominant component of eddy fluxes even when they are averaged over scales larger than the eddy scales. The rotational component can be approximated by its projection along temperature variance contours; however this only accounts for a fraction of the total rotational component, leaving a residual that is still more rotational than divergent. The eddy heat flux can be parameterized as a function of averaging lengthscale using coherence analysis. The meridional eddy heat flux is most coherent with its parameterizations on lengthscales larger than 50 degrees, but this coherence is due to the rotational component. The divergence of the eddy heat flux is most coherent with the divergence of the parameterizations on scales less than 4 degrees, where the curl of the eddy heat flux has a minimum. Diffusivities estimated from the eddy heat flux show a high wavenumber dependence and are as high as 15,000 m(2)s(-1), reflecting the presence of the rotational component. Using the divergence, more realistic, less wavenumber dependent values are estimated, ranging from 500 m(2)s(-1) within the ACC to 1000 m(2)s(-1) in the near surface ocean in the Agulhas Retroflection region. (C) 2009 Elsevier Ltd. All rights reserved. C1 [Griesel, Alexa; Gille, Sarah T.; Sprintall, Janet; McClean, Julie L.] Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA. [Maltrud, Mathew E.] Los Alamos Natl Lab, Los Alamos, NM USA. RP Griesel, A (reprint author), Univ Calif San Diego, Scripps Inst Oceanog, La Jolla, CA 92093 USA. EM agriesel@ucsd.edu RI Gille, Sarah/B-3171-2012 FU National Science Foundation [OCE-0549225, OCE-9985203, OCE-0049066, OPP-0337998]; National Aeronautics and Space Administration [EOS/03-0602-0117]; Office of Science (BER), U.S. Department of Energy, [DE-FG02-05ER64119] FX This research was supported by the National Science Foundation grants OCE-0549225, OCE-9985203/OCE-0049066, OPP-0337998, by the National Aeronautics and Space Administration Contract EOS/03-0602-0117 and the Office of Science (BER), U.S. Department of Energy, Grant No. DE-FG02-05ER64119. The global simulation was carried out as part of a Department of Defense High Performance Computing Modernization Program (HPCMP) grand challenge grant at the Maui High Performance Computing Center (MHPCC). A.G. thanks B. Fox-Kemper, I. Cerovecki and C. Wolfe for useful discussions. We thank the editor and two reviewers for useful comments that helped improve the manuscript. NR 53 TC 16 Z9 16 U1 0 U2 4 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1463-5003 J9 OCEAN MODEL JI Ocean Model. PY 2009 VL 29 IS 4 BP 248 EP 260 DI 10.1016/j.ocemod.2009.05.004 PG 13 WC Meteorology & Atmospheric Sciences; Oceanography SC Meteorology & Atmospheric Sciences; Oceanography GA 477MG UT WOS:000268522600003 ER PT J AU Yang, ZQ Khangaonkar, T AF Yang, Zhaoqing Khangaonkar, Tarang TI Modeling tidal circulation and stratification in Skagit River estuary using an unstructured grid ocean model SO OCEAN MODELLING LA English DT Article DE Unstructured Mesh; Estuary; Tidal flats; Tidal Circulation; Salinity Intrusion ID INTERTIDAL MUDFLAT; DOLLARD ESTUARY; COASTAL OCEAN; FINITE-VOLUME; SALT-MARSH; BAY; DYNAMICS; FLOW; VARIABILITY; WASHINGTON AB Tidal circulation and river plume dynamics in shallow-water estuarine systems with large intertidal zones are complex. Strong asymmetries in tidal currents and stratification often occur in the intertidal zones and subtidal channels over a tidal cycle. The Skagit River is the largest estuary with respect to the discharge of a significant amount of freshwater and sediment into Puget Sound, Washington. It consists of a large intertidal zone with multiple tidal channels near the mouth of the estuary. To simulate the tidal circulation and salinity stratification accurately in the intertidal region, an unstructured grid numerical model with wetting-drying capability and the capability to accurately represent the bathymetry of tidal flats and the geometry of shallow distributary channels is necessary. In this paper, a modeling study for the Skagit River estuary using a three-dimensional unstructured grid, finite-volume coastal ocean model (FVCOM) supported by high-resolution LIDAR data is presented. The hydrodynamic model was validated with observed water surface elevation, velocity, and salinity data over spring and neap tidal cycles under low-river-flow and high-river-flow conditions. Wetting and drying processes in the intertidal zone and strong stratification in the estuary were simulated successfully by the model. Model results indicate that the Skagit River estuary is a highly stratified estuary, but destratification can occur during flood tide. Tides and baroclinic motion are the dominant forcing in the Skagit River estuary, but strong wind events can affect the currents in the intertidal zone significantly. Preliminary analysis also indicated that the salinity intrusion length scale is proportional to the river flow to the -1/4 power. (C) 2008 Elsevier Ltd. All rights reserved. C1 [Yang, Zhaoqing; Khangaonkar, Tarang] Battelle Marine Sci Lab, Seattle, WA 98109 USA. RP Yang, ZQ (reprint author), Battelle Marine Sci Lab, 1100 Dexter Ave N,Suite 400, Seattle, WA 98109 USA. EM zhaoqing.yang@pnl.gov FU Skagit Watershed Council (SWC); Washington Salmon Recovery Funding Board FX This study was funded by the Skagit Watershed Council (SWC) and the Skagit River System Cooperative (SRSC) through grants from the Washington Salmon Recovery Funding Board. We thank Ms. Shirley Solomon of SWC and Dr. Greg Hood of SRSC for providing reviews and useful comments throughout the duration of this study. We also thank Dr. Eric Grossman of USGS for providing part of the LIDAR bathymetry data in Skagit Bay and oceanographic data for model verification. NR 47 TC 41 Z9 44 U1 2 U2 42 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1463-5003 J9 OCEAN MODEL JI Ocean Model. PY 2009 VL 28 IS 1-3 SI SI BP 34 EP 49 DI 10.1016/j.ocemod.2008.07.004 PG 16 WC Meteorology & Atmospheric Sciences; Oceanography SC Meteorology & Atmospheric Sciences; Oceanography GA 436GN UT WOS:000265400800005 ER PT J AU Ozgokmen, TM Iliescu, T Fischer, PF AF Oezgoekmen, Tamay M. Iliescu, Traian Fischer, Paul F. TI Large eddy simulation of stratified mixing in a three-dimensional lock-exchange system SO OCEAN MODELLING LA English DT Review ID SPECTRAL ELEMENT MODEL; TURBULENCE CLOSURE MODELS; AVAILABLE POTENTIAL-ENERGY; INTERNAL GRAVITY-WAVE; SUBGRID-SCALE MODEL; FREE SHEAR LAYERS; RED-SEA OVERFLOW; BOUNDARY-LAYER; DENSITY CURRENTS; EQUATORIAL TURBULENCE AB Accurate and computationally-efficient modeling of stratified mixing processes are of paramount importance in both coastal and large-scale ocean circulation. In this study, our main objective is to investigate the feasibility and accuracy of large eddy simulation (LES) as a possible tool to study small-scale oceanic processes. To this end, LES is evaluated in a 3D lock-exchange problem, which contains shear-driven mixing, internal waves, interactions with boundaries and convective motions, while having a simple domain, initial and boundary conditions, and forcing. Two general classes of LES models are tested, namely eddy viscosity (EV) models based on constant-coefficient and dynamic Smagorinsky models, and an approximate deconvolution (AD) model. By noting that the dynamic Smagorinsky and AD models have different strengths in that the former is good in providing appropriate dissipation while the latter in preserving the detail of coherent structures on coarse resolution meshes, a hybrid approach combining EV and AD models is also evaluated. A direct numerical simulation (DNS) is performed as the benchmark solution, and all LES models are tested on three coarse meshes. The main measure of mixing is taken as the temporal evolution of background potential energy. It is found that constant-coefficient Smagorinsky models can only provide a marginal improvement over under-resolved simulations, while both dynamic Smagorinsky and AD models lead to significant improvements in mixing accuracy. The primary accomplishment of this study is that it is shown that the hybrid approach attains the best agreement with the mixing curve from DNS, while being computationally approximately a thousand times faster. (C) 2008 Elsevier Ltd. All rights reserved. C1 [Oezgoekmen, Tamay M.] Univ Miami, RSMAS MPO, Miami, FL USA. [Iliescu, Traian] Virginia Polytech Inst & State Univ, Dept Math, Blacksburg, VA 24061 USA. [Fischer, Paul F.] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Ozgokmen, TM (reprint author), Univ Miami, RSMAS MPO, Miami, FL USA. EM tozgokmen@rsmas.miami.edu FU National Science Foundation [OCE 0620661, OCE-0620464] FX We greatly appreciate the support of National Science Foundation via grants OCE 0620661 and OCE-0620464 under the Collaborative Mathematics and Geoscience (CMG) initiative. We thank Luke Scharf from Virginia Tech's SystemX computational center (www.tcf.vt.edu) for his generous technical help, which made the DNS computation possible. A portion of the computations were carried out on the University of Miami's computing center (http://ccs.miami.edu/hpc/), and we thank Nicholas Tsinoremas, Joel Zysman, Ashwanth Srinivasan and Zonghun Hu for their help. NR 125 TC 37 Z9 37 U1 1 U2 11 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1463-5003 EI 1463-5011 J9 OCEAN MODEL JI Ocean Model. PY 2009 VL 26 IS 3-4 BP 134 EP 155 DI 10.1016/j.ocemod.2008.09.006 PG 22 WC Meteorology & Atmospheric Sciences; Oceanography SC Meteorology & Atmospheric Sciences; Oceanography GA 401RK UT WOS:000262959400002 ER PT S AU Sullivan, EJ Xiang, N Candy, JV AF Sullivan, E. J. Xiang, N. Candy, J. V. GP IEEE TI Adaptive Model-Based Mine Detection/Localization using Noisy Laser Doppler Vibration Measurements SO OCEANS 2009 - EUROPE, VOLS 1 AND 2 SE OCEANS-IEEE LA English DT Proceedings Paper CT OCEANS 2009 - Europe Conference CY MAY 11-14, 2009 CL Bremen, GERMANY SP IEEE AB The acoustic detection of buried mines is hampered by the fact that at the frequencies required for obtaining useful penetration, the energy is quickly absorbed by the ground. A recent approach which avoids this problem, is to excite the ground with a high-level low frequency sound, which excites low frequency resonances in the mine. These resonances cause a low-level vibration on the surface which can be detected by a Laser Doppler Vibrometer. This paper presents a method of quickly and efficiently detecting these vibrations by sensing a change in the statistics of the signal when the mine is present. Results based on real data are shown. C1 [Sullivan, E. J.] Prometheus Inc, 21 Arnold Ave, Newport, RI 02840 USA. [Xiang, N.] Rensselaer Polytech Inst, Troy, NY 12180 USA. [Candy, J. V.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Sullivan, EJ (reprint author), Prometheus Inc, 21 Arnold Ave, Newport, RI 02840 USA. EM paddypriest@aol.com; xiangn@rpi.edu; tsoftware@aol.com NR 4 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 0197-7385 BN 978-1-4244-2522-8 J9 OCEANS-IEEE PY 2009 BP 794 EP + PG 2 WC Engineering, Ocean; Robotics; Oceanography SC Engineering; Robotics; Oceanography GA BON37 UT WOS:000277066400126 ER PT S AU Estes, MG Al-Hamdan, M Thom, R Quattrochi, D Woodruff, D Judd, C Ellis, J Watson, B Rodriguez, H Johnson, H AF Estes, Maurice G., Jr. Al-Hamdan, Mohammad Thom, Ron Quattrochi, Dale Woodruff, Dana Judd, Chaeli Ellis, Jean Watson, Brian Rodriguez, Hugo Johnson, Hoyt GP IEEE TI Watershed and Hydrodynamic Modeling for Evaluating the Impact of Land Use Change on Submerged Aquatic Vegetation and Seagrasses in Mobile Bay SO OCEANS 2009, VOLS 1-3 SE OCEANS-IEEE LA English DT Proceedings Paper CT Oceans 2009 Conference CY OCT 26-29, 2009 CL Biloxi, MS SP Marine Technol Soc, IEEE Ocean Engn Soc AB There is a continued need to understand how human activities along the northern Gulf of Mexico coast are impacting the natural ecosystems. The gulf coast is experiencing rapid population growth and associated land cover/land use change. Mobile Bay, AL is a designated pilot region of the Gulf of Mexico Alliance (GOMA) and is the focus area of many current NASA and NOAA studies, for example. This is a critical region, both ecologically and economically to the entire United States because it has the fourth largest freshwater inflow in the continental USA, is a vital nursery habitat for commercially and recreational important fisheries, and houses a working waterfront and port that is expanding. Watershed and hydrodynamic modeling has been performed for Mobile Bay to evaluate the impact of land use change in Mobile and Baldwin counties on the aquatic ecosystem. Watershed modeling using the Loading Simulation Package in C++ (LSPC) was performed for all watersheds contiguous to Mobile Bay for land use Scenarios in 1948, 1992, 2001, and 2030. The Prescott Spatial Growth Model was used to project the 2030 land use scenario based on observed trends. All land use scenarios were developed to a common land classification system developed by merging the 1992 and 2001 National Land Cover Data (NLCD). The LSPC model output provides changes in flow, temperature, sediments and general water quality for 22 discharge points into the Bay. These results were inputted in the Environmental Fluid Dynamics Computer Code (EFDC) hydrodynamic model to generate data on changes in temperature, salinity, and sediment concentrations on a grid with four vertical profiles throughout the Bay's aquatic ecosystems. The models were calibrated using in-situ data collected at sampling stations in and around Mobile bay. This phase of the project has focused on sediment modeling because of its significant influence on light attenuation which is a critical factor in the health of submerged aquatic vegetation. The impact of land use change on sediment concentrations was evaluated by analyzing the LSPC and EFDC sediment simulations for the four land use scenarios. Such analysis was also performed for storm and non-storm periods. In- situ data of total suspended sediments (TSS) and light attenuation were used to develop a regression model to estimate light attenuation from TSS. This regression model was used to derive marine light attenuation estimates throughout Mobile bay using the EFDC TSS outputs. The changes in sediment concentrations and associated impact on light attenuation in the aquatic ecosystem were used to perform an ecological analysis to evaluate the impact on seagreasses and Submerged Aquatic Vegetation (SAV) habitat. This is the key product benefiting the Mobile Bay coastal environmental managers that integrates the influences of sediments due to land use driven flow changes with the restoration potential of SAVs. This project is a collaborative effort between NASA Marshall Space Flight Center, Universities Space Research Association, NASA Stennis Space Center, Battelle at the Pacific Northwest National Laboratory, Tetra Tech Engineering, and Prescott College. C1 [Estes, Maurice G., Jr.; Al-Hamdan, Mohammad] Univ Space Res Assoc, 320 Sparkman Dr, Huntsville, AL 35805 USA. [Quattrochi, Dale] NSSTC, Marshall Space Flight Ctr, Huntsville, AL 35805 USA. [Thom, Ron; Woodruff, Dana; Judd, Chaeli] Pacific Northwest Natl Lab, Richland, WA 98382 USA. [Ellis, Jean] Univ South Carolina, Columbia, SC USA. [Watson, Brian; Rodriguez, Hugo] Tetra Tech Engn, Atlanta, GA USA. [Johnson, Hoyt] Prescott Coll, Prescott, AZ USA. RP Estes, MG (reprint author), Univ Space Res Assoc, 320 Sparkman Dr, Huntsville, AL 35805 USA. NR 7 TC 0 Z9 1 U1 0 U2 11 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 0197-7385 BN 978-1-4244-4960-6 J9 OCEANS-IEEE PY 2009 BP 565 EP + PG 2 WC Engineering, Ocean; Oceanography; Remote Sensing SC Engineering; Oceanography; Remote Sensing GA BPY34 UT WOS:000280322600082 ER PT S AU Willis, M Raybourn, EM AF Willis, Matthew Raybourn, Elaine M. BE Ozok, AA Zaphiris, P TI Leveraging Mobile Devices to Develop Intercultural Competency for Digital Students SO ONLINE COMMUNITIES AND SOCIAL COMPUTING, PROCEEDINGS SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 3rd International Conference on Online Communities and Social Computing held at the 13th International Conference on Human-Computer Interaction CY JUL 19-24, 2009 CL San Diego, CA DE mobile device; eLearning; Diffusion of Innovations; mobile learning; online community; intercultural competence; digital students AB Mobile devices can help digital students reach out across cultures to develop intercultural competence, improve learning, and provide course support for a variety of course topics. Intercultural competence is expressed through openness, cognitive adaptability, and behavioral flexibility toward unfamiliar cultures. Digital students demonstrate a behavioral flexibility toward technology use that can be leveraged to encourage students to embrace cultures different from their own. This paper explores the feasibility of using mobile devices as viable options for course support by utilizing traditional learning styles and cultural learning styles. From the conducted survey preferred networks are identified for creating a community to Support mobile learning. C1 [Willis, Matthew; Raybourn, Elaine M.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Willis, M (reprint author), Sandia Natl Labs, POB 5800,MS 1188, Albuquerque, NM 87185 USA. EM mwillis@sandia.gov; emraybo@sandia.gov NR 20 TC 0 Z9 0 U1 1 U2 3 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-02773-4 J9 LECT NOTES COMPUT SC PY 2009 VL 5621 BP 545 EP 553 PG 9 WC Computer Science, Information Systems; Computer Science, Theory & Methods SC Computer Science GA BKU94 UT WOS:000269304600059 ER PT S AU Raybourn, EM AF Raybourn, Elaine M. BE Ozok, AA Zaphiris, P TI Intercultural Competence Game That Fosters Metacognitive Agility and Reflection SO ONLINE COMMUNITIES AND SOCIAL COMPUTING, PROCEEDINGS SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 3rd International Conference on Online Communities and Social Computing held at the 13th International Conference on Human-Computer Interaction CY JUL 19-24, 2009 CL San Diego, CA DE serious game; metacognitive agility; reflection; in-game performance assessment; peer learning; intercultural competence AB In this paper we describe the development of a multi-player computer game created to train the intercultural competence and metacognitive agility (self-awareness and self-regulated learning) of United States Army Special Forces team leaders. We describe a unique design that features a novel role for real-time, in-game peer performance assessment and feedback to encourage user reflection and self-explanation. We also discuss how the multiplayer game is successfully used in Special Forces intercultural communication education and offer user feedback results from a study conducted with 51 Special Forces officers. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Raybourn, EM (reprint author), Sandia Natl Labs, POB 5800,MS 1188, Albuquerque, NM 87185 USA. EM emraybo@sandia.gov NR 10 TC 4 Z9 4 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-02773-4 J9 LECT NOTES COMPUT SC PY 2009 VL 5621 BP 603 EP 612 PG 10 WC Computer Science, Information Systems; Computer Science, Theory & Methods SC Computer Science GA BKU94 UT WOS:000269304600065 ER PT S AU Hart, WE AF Hart, William E. BE Chinneck, JW Kristjansson, B Saltzman, MJ TI Python Optimization Modeling Objects (Pyomo) SO OPERATIONS RESEARCH AND CYBER-INFRASTRUCTURE SE Operations Research/Computer Science Interfaces LA English DT Proceedings Paper CT 11th INFORMS-Computing-Society Conference CY JAN 11-13, 2009 CL Charleston, SC DE Python; Modeling language; Optimization; Open Source Software AB We describe Pyomo, an open-source tool for modeling optimization applications in Python. Pyomo can be used to define abstract problems, create concrete problem instances, and solve these instances with standard solvers. Pyomo provides a capability that is commonly associated with algebraic modeling languages like AMPL and GAMS. Pyomo leverages the capabilities of the Coopr software, which integrates Python packages for defining optimizers, modeling optimization applications, and managing computational experiments. C1 Sandia Natl Labs, Discrete Math & Complex Syst Dept, Albuquerque, NM 87185 USA. RP Hart, WE (reprint author), Sandia Natl Labs, Discrete Math & Complex Syst Dept, POB 5800, Albuquerque, NM 87185 USA. EM wehart@sandia.gov NR 11 TC 6 Z9 6 U1 1 U2 4 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 1387-666X BN 978-0-387-88842-2 J9 OPERAT RES COMP SCI PY 2009 BP 3 EP 19 DI 10.1007/978-0-387-88843-9_1 PG 17 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods SC Computer Science GA BIW17 UT WOS:000263265900001 ER PT S AU Choi, J Soehnel, GH Bagwell, BE Dixon, KR Wick, DV AF Choi, Junoh Soehnel, Grant H. Bagwell, Brett E. Dixon, Kevin R. Wick, David V. BE Halvorson, CS Southern, SO Kumar, BVKV Prabhakar, S Ross, AA TI Optical Requirements with Turbulence Correction for Long-range Biometrics SO OPTICS AND PHOTONICS IN GLOBAL HOMELAND SECURITY V AND BIOMETRIC TECHNOLOGY FOR HUMAN IDENTIFICATION VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Optics and Photonics in Global Homeland Security V/Biometric Technology for Human Identification VI CY APR 13-16, 2009 CL Orlando, FL SP SPIE DE Biometrics; iris recognition; adaptive optics; atmospheric turbulence; horizontal path imaging AB Iris recognition utilizes distinct patterns found in the human iris to perform identification. Image acquisition is a critical first step towards successful operation of iris recognition systems. However, the quality of iris images required by standard iris recognition algorithms puts hard constraints on the imaging optical systems which have resulted in demonstrated systems to date requiring a relatively short subject stand-off distance. In this paper, we study long-range iris recognition at distances as large as 200 meters, and determine conditions the imaging system must satisfy for identification at longer stand-off distances. C1 [Choi, Junoh; Soehnel, Grant H.; Bagwell, Brett E.; Dixon, Kevin R.; Wick, David V.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Choi, J (reprint author), Sandia Natl Labs, POB 5800,MS 1188, Albuquerque, NM 87185 USA. NR 11 TC 1 Z9 1 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7572-5 J9 PROC SPIE PY 2009 VL 7306 AR 730622 DI 10.1117/12.828558 PG 11 WC Mathematical & Computational Biology; Optics SC Mathematical & Computational Biology; Optics GA BVR68 UT WOS:000292555700041 ER PT S AU Halvorson, CS AF Halvorson, Craig S. BE Halvorson, CS Southern, SO Kumar, BVKV Prabhakar, S Ross, AA TI US Homeland Security R&D Budgets SO OPTICS AND PHOTONICS IN GLOBAL HOMELAND SECURITY V AND BIOMETRIC TECHNOLOGY FOR HUMAN IDENTIFICATION VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Optics and Photonics in Global Homeland Security V/Biometric Technology for Human Identification VI CY APR 13-16, 2009 CL Orlando, FL SP SPIE DE R&D; homeland security; budget; DHS; DTRA; BARDA; DNDO AB The FY09 budgets for homeland security research and development programs in the U. S. are summarized. Homeland security policy developments that can influence future efforts are discussed. Initial indications of the new administration direction on homeland security R&D are summarized. An overview of the Optics and Photonics in Global Homeland Security V conference is presented C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Halvorson, CS (reprint author), Lawrence Livermore Natl Lab, L-153, Livermore, CA 94551 USA. NR 1 TC 0 Z9 0 U1 1 U2 1 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7572-5 J9 PROC SPIE PY 2009 VL 7306 AR 730602 DI 10.1117/12.819417 PG 4 WC Mathematical & Computational Biology; Optics SC Mathematical & Computational Biology; Optics GA BVR68 UT WOS:000292555700002 ER PT S AU Ozanich, RM Antolick, KC Bruckner-Lea, CJ Bunch, KJ Dockendorff, BP Grate, JW Nash, MA Tyler, A Warner, CL Warner, MG AF Ozanich, Richard M., Jr. Antolick, Kathryn C. Bruckner-Lea, Cynthia J. Bunch, Kyle J. Dockendorff, Brian P. Grate, Jay W. Nash, Michael A. Tyler, Abby Warner, Cynthia L. Warner, Marvin G. BE Halvorson, CS Southern, SO Kumar, BVKV Prabhakar, S Ross, AA TI Bead-Based Assays for Biodetection: From Flow-Cytometry to Microfluidics SO OPTICS AND PHOTONICS IN GLOBAL HOMELAND SECURITY V AND BIOMETRIC TECHNOLOGY FOR HUMAN IDENTIFICATION VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Optics and Photonics in Global Homeland Security V/Biometric Technology for Human Identification VI CY APR 13-16, 2009 CL Orlando, FL SP SPIE DE biothreats; microbeads; superparamagnetic nanoparticles; microfluidics; cytometry; sample preparation ID SOLID-PHASE; IMMUNOMAGNETIC SEPARATION; RENEWABLE MICROCOLUMNS; IMMUNOASSAY; ANTIBODIES; MICROARRAY AB The potential for the use of biological agents by terrorists is a real threat. Two approaches for antibody-based detection of biological species are described in this paper: 1) The use of microbead arrays for multiplexed flow cytometry detection of cytokines and botulinum neurotoxin simulant, and 2) a microfluidic platform for capture and separation of different size superparamagnetic nanoparticles followed by on-chip fluorescence detection of the sandwich complex. These approaches both involve the use of automated fluidic systems for trapping antibody-functionalized microbeads, which allows sample, assay reagents, and wash solutions to be perfused over a micro-column of beads, resulting in faster and more sensitive immunoassays. The automated fluidic approach resulted in up to five-fold improvements in immunoassay sensitivity/speed as compared to identical immunoassays performed in a typical manual batch mode. A second approach for implementing multiplexed bead-based immunoassays without using flow cytometry detection is currently under development. The goal of the microfluidic-based approach is to achieve rapid (<20 minutes), multiplexed (>= 3 bioagents) detection using a simple and low-cost, integrated microfluidic/optical detection platform. Using fiber-optic guided laser-induced fluorescence, assay detection limits were shown to be in the 100's of picomolar range (10's of micrograms per liter) for botulinum neurotoxin simulant without any optimization of the microfluidic device or optical detection approach. C1 [Ozanich, Richard M., Jr.; Antolick, Kathryn C.; Bruckner-Lea, Cynthia J.; Bunch, Kyle J.; Dockendorff, Brian P.; Grate, Jay W.; Warner, Cynthia L.; Warner, Marvin G.] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Ozanich, RM (reprint author), Pacific NW Natl Lab, POB 999,Battelle Blvd, Richland, WA 99354 USA. NR 13 TC 0 Z9 0 U1 3 U2 8 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7572-5 J9 PROC SPIE PY 2009 VL 7306 AR 73060I DI 10.1117/12.819951 PG 10 WC Mathematical & Computational Biology; Optics SC Mathematical & Computational Biology; Optics GA BVR68 UT WOS:000292555700012 ER PT S AU Teclemariam, NP Purvis, LK Foltz, GW West, T Edwards, DM Fruetel, JA Gleason, NJ AF Teclemariam, Nerayo P. Purvis, Liston K. Foltz, Greg W. West, Todd Edwards, Donna M. Fruetel, Julia A. Gleason, Nathaniel J. BE Halvorson, CS Southern, SO Kumar, BVKV Prabhakar, S Ross, AA TI An End-to-End Approach to Developing Biological and Chemical Detector Requirements SO OPTICS AND PHOTONICS IN GLOBAL HOMELAND SECURITY V AND BIOMETRIC TECHNOLOGY FOR HUMAN IDENTIFICATION VI SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Optics and Photonics in Global Homeland Security V/Biometric Technology for Human Identification VI CY APR 13-16, 2009 CL Orlando, FL SP SPIE DE Biological; chemical; terrorism; requirements; analysis; countermeasures; detection; defense; simulation AB Effective defense against chemical and biological threats requires an "end-to-end" strategy that encompasses the entire problem space, from threat assessment and target hardening to response planning and recovery. A key element of the strategy is the definition of appropriate system requirements for surveillance and detection of threat agents. Our end-to-end approach to venue chem/bio defense is captured in the Facilities Weapons of Mass Destruction Decision Analysis Capability (FacDAC), an integrated system-of-systems toolset that can be used to generate requirements across all stages of detector development. For example, in the early stage of detector development the approach can be used to develop performance targets (e. g., sensitivity, selectivity, false positive rate) to provide guidance on what technologies to pursue. In the development phase, after a detector technology has been selected, the approach can aid in determining performance trade-offs and down-selection of competing technologies. During the application stage, the approach can be employed to design optimal defensive architectures that make the best use of available technology to maximize system performance. This presentation will discuss the end-to-end approach to defining detector requirements and demonstrate the capabilities of the FacDAC toolset using examples from a number of studies for the Department of Homeland Security. C1 [Teclemariam, Nerayo P.; Purvis, Liston K.; Foltz, Greg W.; West, Todd; Edwards, Donna M.; Fruetel, Julia A.; Gleason, Nathaniel J.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Teclemariam, NP (reprint author), Sandia Natl Labs, POB 969, Livermore, CA 94551 USA. EM nptecle@sandia.gov NR 4 TC 0 Z9 0 U1 1 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7572-5 J9 PROC SPIE PY 2009 VL 7306 AR 730607 DI 10.1117/12.820141 PG 9 WC Mathematical & Computational Biology; Optics SC Mathematical & Computational Biology; Optics GA BVR68 UT WOS:000292555700004 ER PT J AU Petra, C Gavrea, B Anitescu, M Potra, F AF Petra, Cosmin Gavrea, Bogdan Anitescu, Mihai Potra, Florian TI A computational study of the use of an optimization-based method for simulating large multibody systems SO OPTIMIZATION METHODS & SOFTWARE LA English DT Article DE quadratic programming; large-scale optimization; rigid multibody; contact and friction ID BODY CONTACT PROBLEMS; SPARSE CHOLESKY FACTORIZATION; GRANULAR SYSTEMS; COULOMB-FRICTION; DYNAMICS; JOINTS; EQUATIONS; MODELS; WATER AB The present work aims at comparing the performance of several quadratic programming (QP) solvers for simulating large-scale frictional rigid-body systems. Traditional time-stepping schemes for simulation of multibody systems are formulated as linear complementarity problems (LCPs) with copositive matrices. Such LCPs are generally solved by means of Lemke-type algorithms and solvers such as the PATH solver proved to be robust. However, for large systems, the PATH solver or any other pivotal algorithm becomes unpractical from a computational point of view. The convex relaxation proposed by one of the authors allows the formulation of the integration step as a QPD, for which a wide variety of state-of-the-art solvers are available. In what follows we report the results obtained solving that subproblem when using the QP solvers MOSEK, OOQP, TRON, and BLMVM. OOQP is presented with both the symmetric indefinite solver MA27 and our Cholesky reformulation using the CHOLMOD package. We investigate computational performance and address the correctness of the results from a modelling point of view. We conclude that the OOQP solver, particularly with the CHOLMOD linear algebra solver, has predictable performance and memory use patterns and is far more competitive for these problems than are the other solvers. C1 [Anitescu, Mihai] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. [Petra, Cosmin; Potra, Florian] Univ Maryland Baltimore Cty, Dept Math & Stat, Baltimore, MD 21228 USA. [Gavrea, Bogdan] Tech Univ Cluj Napoca, Dept Math, Fac Automat & Comp Sci, Cluj Napoca, Romania. RP Anitescu, M (reprint author), Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. EM anitescu@mcs.anl.gov FU US Department of Energy [DE-AC02-06CH11357]; National Science Foundation [CSE-0728878] FX This material is published by permission of the Argonne National Laboratory, operated by UChicago Argonne, LLC, for the US Department of Energy under Contract No. DE-AC02-06CH11357. The US Government retains for itself, and others acting on its behalf, a paid-up, non-exclusive, and irrevocable worldwide licence in said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the Government.; Mihai Anitescu was supported by Contract No. DE-AC02-06CH11357 of the US Department of Energy. The work of Florian Potra and Cosmin Petra was supported in part by the National Science Foundation under Grant CSE-0728878. NR 59 TC 5 Z9 5 U1 1 U2 1 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 1055-6788 EI 1029-4937 J9 OPTIM METHOD SOFTW JI Optim. Method Softw. PY 2009 VL 24 IS 6 BP 871 EP 894 AR PII 909680237 DI 10.1080/10556780902806094 PG 24 WC Computer Science, Software Engineering; Operations Research & Management Science; Mathematics, Applied SC Computer Science; Operations Research & Management Science; Mathematics GA 498VM UT WOS:000270173300001 ER PT J AU Nenoff, TM Dong, JH AF Nenoff, Tina M. Dong, Junhang BE Valtchev, V Mintova, S Tsapatsis, M TI HIGHLY SELECTIVE ZEOLITE MEMBRANES SO ORDERED POROUS SOLIDS: RECENT ADVANCES AND PROSPECTS LA English DT Article; Book Chapter DE zeolite membranes; p-Xylene purification; CO2 sequestration; catalytic zeolite membrane reactors; RO membrane ID GAS PERMEATION PROPERTIES; MFI-TYPE ZEOLITE; BINARY-MIXTURES; SILICALITE MEMBRANES; SECONDARY GROWTH; REVERSE-OSMOSIS; PERVAPORATION PERFORMANCE; AROMATIC-HYDROCARBONS; ATOMISTIC SIMULATIONS; MORDENITE MEMBRANES AB Much effort has recently been devoted to the synthesis and potential application of inorganic membranes in the domains of gas separation, pervaporation, reverse osmosis, or in the development of chemical sensors and catalytic membranes. Zeolite membranes, in particular, combine pore size and shape selectivity with the inherent mechanical, thermal and chemical stability necessary for continuous long-term separation processes. A variety of methods have been employed to produce high-quality zeolite membranes for a variety of separations applications. The integrity of the membrane, the choice of framework type and the ability to modify the surface of the zeolites allows for fine tuning of the selectivity of membranes. Both inorganic and organic surface modifications of the zeolite membranes are described in full. This, combined with optimization of process parameters, results in improved selectivities. Results presented show that excellent separations can be achieved for a variety of light gases, hydrocarbon mixtures and reverse osmosis processes. C1 [Nenoff, Tina M.] Sandia Natl Labs, Surface & Interfacial Sci, Albuquerque, NM 87047 USA. [Dong, Junhang] Univ Cincinnati, Dept Chem & Mat Engn, Cincinnati, OH 45221 USA. RP Nenoff, TM (reprint author), Sandia Natl Labs, Surface & Interfacial Sci, MS 1415, Albuquerque, NM 87047 USA. NR 111 TC 1 Z9 1 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-093245-3 PY 2009 BP 365 EP 386 DI 10.1016/B978-0-444-53189-6.00014-7 PG 22 WC Chemistry, Physical; Engineering, Chemical; Materials Science, Multidisciplinary SC Chemistry; Engineering; Materials Science GA BEO51 UT WOS:000317574000014 ER PT S AU Ma, BW Miyamoto, Y Woo, CH Frechet, JMJ Zhang, F Liu, Y AF Ma, Biwu Miyamoto, Yoshikazu Woo, Claire H. Frechet, Jean M. J. Zhang, Fan Liu, Yi BE Kafafi, ZH Lane, PA TI Solution processable boron subphthalocyanine derivatives as active materials for organic photovoltaics SO ORGANIC PHOTOVOLTAICS X SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Organic Photovoltaics X CY AUG 03-06, 2009 CL San Diego, CA SP SPIE DE organic photovoltaic cells; subphthalocyanine; solution processing; small molecule ID SOLAR-CELLS AB Here we present our work on development of new solution processable small molecules for efficient organic photovoltaic cells (OPVs). Boron subphthalocyanine derivatives possess unique structural and photophysical properties, i.e. excellent solubility, low tendency to aggregate, and high extinction coefficients, that enable the formation of high quality thin films via solution processing for OPVs application. Both p type (donor) and n type (acceptor) boron subphthalocyanine derivatives have been investigated. Using a soluble 2-Allylphenol SubPc derivative as donor and fullerene as acceptor, we have demonstrated simple planar heterojunction OPVs with power conversion efficiencies of over 1.7%, which represents one of the highest efficiencies for devices with solution processable small molecules to date. The use of fluorinated subphthalocyanines as acceptor and typical poly[2-methoxy-5-(3',7'-dimethyloctyloxy)-1,4-phenylene vinylene] (MDMO-PPV) as donor has led to fully solution processed OPVs with efficiencies over 0.1%. Our work shows that solution processing of light harvesting small molecules has great potential for application in low cost thin film photovoltaic cells and boron subphthalocyanine derivatives are promising new-generation OPV materials. C1 [Ma, Biwu; Miyamoto, Yoshikazu; Frechet, Jean M. J.; Zhang, Fan; Liu, Yi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. [Miyamoto, Yoshikazu; Woo, Claire H.; Frechet, Jean M. J.] Univ Calif Berkeley, Coll Chem, Berkeley, CA 94720 USA. RP Ma, BW (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. EM BWMa@lbl.gov OI Frechet, Jean /0000-0001-6419-0163 FU Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05 CH11231]; US Department of Energy FX This work was supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under contract No. DE-AC02-05 CH11231. C.H.W. thanks the National Science Foundation for a Graduate Research Fellowship. Y.M. thanks JSR Corporation for support. A portion of the work was performed at the Stanford Synchrotron Radiation Laboratory also supported by the US Department of Energy. NR 17 TC 4 Z9 4 U1 0 U2 8 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7706-4 J9 PROC SPIE PY 2009 VL 7416 AR UNSP 74161E DI 10.1117/12.825372 PG 6 WC Energy & Fuels; Materials Science, Multidisciplinary; Optics SC Energy & Fuels; Materials Science; Optics GA BBO03 UT WOS:000307649100016 ER PT B AU Tian, WH Samatova, NF AF Tian, Wenhong Samatova, Nagiza F. BE Altman, RB Dunker, AK Hunter, L Murray, T Klein, TE TI PAIRWISE ALIGNMENT OF INTERACTION NETWORKS BY FAST IDENTIFICATION OF MAXIMAL CONSERVED PATTERNS SO PACIFIC SYMPOSIUM ON BIOCOMPUTING 2009 LA English DT Proceedings Paper CT Pacific Symposium on Biocomputing CY JAN 05-09, 2009 CL Kohala Coast, HI ID PROTEIN-INTERACTION NETWORKS; GENOMES AB A number of tools for the alignment of protein-protein interaction (PPI) networks have laid the foundation for PPI network analysis. They typically find conserved interaction patterns by various local or global search algorithms, and then validate the results using genome annotation. The improvement of the speed, scalability and accuracy of network alignment is still the target of ongoing research, In view of this, we introduce a connected-components based algorithm called HopeMap for pairwise network alignment with the focus on fast identification of maximal conserved patterns across species. Observing that the number of true homologs across species is relatively small compared to the total number of proteins in all species, we start with highly homologous groups across species, find maximal conserved interaction patterns globally with a generic scoring system and validate the results across multiple known functional annotations. The results are evaluated in terms of statistical enrichment of gene ontology (GO) terms and KEGG ortholog groups (KO) within conserved interaction patters. HopeMap is fast, with linear computational cost, accurate in terms of KO groups and GO terms specificity and sensitivity, and extensible to multiple network alignment. C1 [Tian, Wenhong; Samatova, Nagiza F.] Oak Ridge Natl Lab, Dept Comp, Oak Ridge, TN 37831 USA. RP Tian, WH (reprint author), Oak Ridge Natl Lab, Dept Comp, Oak Ridge, TN 37831 USA. EM wenhong_tian@hotmail.com NR 17 TC 9 Z9 11 U1 0 U2 3 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE BN 978-981-283-692-2 PY 2009 BP 99 EP 110 PG 12 WC Mathematical & Computational Biology SC Mathematical & Computational Biology GA BIX83 UT WOS:000263639700010 PM 19209698 ER PT B AU Webb-Robertson, BJM Mccue, LA Beagley, N McDermott, JE Wunschel, DS Varnum, SM Hu, JZ Isern, NG Buchko, GW Mcateer, K Pounds, JG Skerrett, SJ Liggitt, D Frevert, CW AF Webb-Robertson, Bobbie-Jo M. McCue, Lee Ann Beagley, Nathanial McDermott, Jason E. Wunschel, David S. Varnum, Susan M. Hu, Jian Zhi Isern, Nancy G. Buchko, Garry W. Mcateer, Kathleen Pounds, Joel G. Skerrett, Shawn J. Liggitt, Denny Frevert, Charles W. BE Altman, RB Dunker, AK Hunter, L Murray, T Klein, TE TI A BAYESIAN INTEGRATION MODEL OF HIGH-THROUGHPUT PROTEOMICS AND METABOLOMICS DATA FOR IMPROVED EARLY DETECTION OF MICROBIAL INFECTIONS SO PACIFIC SYMPOSIUM ON BIOCOMPUTING 2009 LA English DT Proceedings Paper CT Pacific Symposium on Biocomputing CY JAN 05-09, 2009 CL Kohala Coast, HI AB High-throughput (HTP) technologies offer the capability to evaluate the genome, proteome, and metabolome of an organism at a global scale. This opens up new opportunities to define complex signatures of disease that involve signals from multiple types of biomolecules. However, integrating these data types is difficult due to the heterogeneity of the data. We present a Bayesian approach to integration that uses posterior probabilities to assign class memberships to samples using individual and multiple data sources; these probabilities are based on lower-level likelihood functions derived from standard statistical learning algorithms. We demonstrate this approach on microbial infections of mice, where the bronchial alveolar lavage fluid was analyzed by three HTP technologies, two proteomic and one metabolomic. We demonstrate that integration of the three datasets improves classification accuracy to similar to 89% from the best individual dataset at similar to 83%. In addition, we present a new visualization toot called Visual Integration for Bayesian Evaluation (VIBE) that allows the user to observe classification accuracies at the class level and evaluate classification accuracies on any subset of available data types based on the posterior probability models defined for the individual and integrated data. C1 [Webb-Robertson, Bobbie-Jo M.; McCue, Lee Ann; Beagley, Nathanial; McDermott, Jason E.; Wunschel, David S.; Varnum, Susan M.; Hu, Jian Zhi; Isern, Nancy G.; Buchko, Garry W.; Mcateer, Kathleen; Pounds, Joel G.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Webb-Robertson, BJM (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. RI Wunschel, David/F-3820-2010; Hu, Jian Zhi/F-7126-2012; Isern, Nancy/J-8016-2013; Buchko, Garry/G-6173-2015; OI Buchko, Garry/0000-0002-3639-1061; Isern, Nancy/0000-0001-9571-8864; Pounds, Joel/0000-0002-6616-1566; McCue, Lee Ann/0000-0003-4456-517X; McDermott, Jason/0000-0003-2961-2572 FU NIAID NIH HHS [U54 AI057141] NR 20 TC 14 Z9 14 U1 0 U2 2 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA PO BOX 128 FARRER RD, SINGAPORE 9128, SINGAPORE BN 978-981-283-692-2 PY 2009 BP 451 EP 463 PG 13 WC Mathematical & Computational Biology SC Mathematical & Computational Biology GA BIX83 UT WOS:000263639700042 PM 19209722 ER PT S AU Perumalla, KS Aaby, BG Yoginath, SB Seal, SK AF Perumalla, Kalyan S. Aaby, Brandon G. Yoginath, Srikanth B. Seal, Sudip K. GP IEEE COMPUTER SOC TI GPU-based Real-Time Execution of Vehicular Mobility Models in Large-Scale Road Network Scenarios SO PADS 2009: 23RD WORKSHOP ON PRINCIPLES OF ADVANCED AND DISTRIBUTED SIMULATION, PROCEEDINGS SE Workshop on Principles of Advanced and Distributed Simulation LA English DT Proceedings Paper CT 23rd International Workshop on Principles of Advanced and Distributed Simulation CY JUN 22-25, 2009 CL Lake Placid, NY SP ACM SIGSIM, IEEE Comp Soc TCSIM, Soc Modeling & Simulat Int AB A methodology and its associated algorithms are presented for mapping a novel, field-based vehicular mobility model onto graphical processing unit computational platform for simulating mobility in large-scale road networks. Of particular focus is the achievement of real-time execution, on desktop platforms, of vehicular mobility on road networks comprised of millions of nodes and links, and multi-million counts of simultaneously active vehicles. The methodology is realized in a system called GARFIELD, whose implementation details and performance study are described The runtime characteristics of a prototype implementation are presented that show real-time performance in simulations of networks at the scale of a few states of the US road networks. C1 [Perumalla, Kalyan S.; Aaby, Brandon G.; Yoginath, Srikanth B.; Seal, Sudip K.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Perumalla, KS (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM perumallaks@ornl.gov; aabybg@ornl.gov; yoginathsb@ornl.gov; sealsk@ornl.gov OI Perumalla, Kalyan/0000-0002-7458-0832 NR 18 TC 3 Z9 3 U1 0 U2 3 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA SN 1087-4097 BN 978-0-7695-3713-9 J9 W PRIN ADV DISTR SIM PY 2009 BP 95 EP 103 DI 10.1109/PADS.2009.22 PG 9 WC Computer Science, Hardware & Architecture; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BMA26 UT WOS:000271642800012 ER PT S AU Payne, SJ Hackett, WR Smith, RP AF Payne, Suzette J. Hackett, William R. Smith, Richard P. BE McCalpin, JP TI Paleoseismology of Volcanic Environments SO PALEOSEISMOLOGY, 2ND EDITION SE International Geophysics Series LA English DT Article; Book Chapter C1 [Payne, Suzette J.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Payne, SJ (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM Suzette.Payne@inl.gov; wrhackett@comcast.net; rps3@realwest.com NR 0 TC 2 Z9 2 U1 0 U2 0 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 0074-6142 BN 978-0-08-091998-0; 978-0-12-373576-8 J9 INT GEOPHYS SER PY 2009 VL 95 BP 271 EP 314 DI 10.1016/S0074-6142(09)95004-5 PG 44 WC Geochemistry & Geophysics; Geology SC Geochemistry & Geophysics; Geology GA BA4RO UT WOS:000336182000006 ER PT J AU Buttari, A Langou, J Kurzak, J Dongarra, J AF Buttari, Alfredo Langou, Julien Kurzak, Jakub Dongarra, Jack TI A class of parallel tiled linear algebra algorithms for multicore architectures SO PARALLEL COMPUTING LA English DT Article DE Linear algebra; Mathematical software; High performance computing; Multicore ID QR FACTORIZATION; GAUSSIAN-ELIMINATION; PERFORMANCE; SOFTWARE; MATRIX; RECURSION; COMPUTERS; EQUATIONS; LIBRARY; SERIAL AB As multicore systems continue to gain ground in the high performance computing world, linear algebra algorithms have to be reformulated or new algorithms have to be developed in order to take advantage of the architectural features on these new processors. Fine grain parallelism becomes a major requirement and introduces the necessity of loose synchronization in the parallel execution of an operation. This paper presents algorithms for the Cholesky, LU and QR factorization where the operations can be represented as a sequence of small tasks that operate on square blocks of data. These tasks can be dynamically scheduled for execution based on the dependencies among them and on the availability of computational resources. This may result in out of order execution of tasks which will completely hide the presence of intrinsically sequential tasks in the factorization. Performance comparisons are presented with LAPACK algorithms where parallelism can only be exploited at the level of the BLAS operations and vendor implementations. Published by Elsevier B.V. C1 [Buttari, Alfredo; Kurzak, Jakub; Dongarra, Jack] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA. [Langou, Julien] Univ Colorado, Dept Math & Stat Sci, Denver, CO 80202 USA. [Dongarra, Jack] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Dongarra, Jack] Univ Manchester, Manchester, Lancs, England. RP Dongarra, J (reprint author), Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA. EM dongarra@eecs.utk.edu RI Langou, Julien/G-5788-2013; Dongarra, Jack/E-3987-2014 NR 45 TC 130 Z9 134 U1 1 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-8191 J9 PARALLEL COMPUT JI Parallel Comput. PD JAN PY 2009 VL 35 IS 1 BP 38 EP 53 DI 10.1016/j.parco.2008.10.002 PG 16 WC Computer Science, Theory & Methods SC Computer Science GA 409BC UT WOS:000263480200004 ER PT S AU Furer, M Gaspers, S Kasiviswanathan, SP AF Fuerer, Martin Gaspers, Serge Kasiviswanathan, Shiva Prasad BE Chen, J Fomin, FV TI An Exponential Time 2-Approximation Algorithm for Bandwidth SO PARAMETERIZED AND EXACT COMPUTATION SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 4th International Workshop on Parameterized and Exact Computation CY SEP 10-11, 2009 CL Copenhagen, DENMARK ID MINIMIZATION PROBLEM; CATERPILLARS; EMBEDDINGS; COMPLEXITY AB The bandwidth of a graph C; on n vertices is the minimum b such that the vertices of C; can be labeled from 1 to n such that the labels of every pair of adjacent vertices differ by at most b. In this paper. we present a 2-approximation algorithm for the Bandwidth problem that takes worst-case O(1.979(n)) = O(3(0.6217n)) time and uses polynomial space. This improves both the previous best 2- and 3-approximation algorithms of Cygan et al. which have an O* (3(n)) and O* (2(n)) worst-case time bounds. respectively. Our algorithm is based on constructing bucket decompositions of the input graph. A bucket decomposition partitions the vertex set of a graph into ordered sets (called buckets) of (almost) equal sizes such that all edges are either incident on vertices in the same bucket or on vertices in two consecutive buckets. The idea is to find the smallest bucket size for which there exists a bucket decomposition. The algorithm uses a simple divide-and-conquer strategy along with dynamic programming to achieve this improved time bound. C1 [Fuerer, Martin] Penn State Univ, Comp Sci & Engn, University Pk, PA 16802 USA. [Gaspers, Serge] Univ Chile, CMM, Santiago, Chile. [Kasiviswanathan, Shiva Prasad] Los Alamos Natl Lab, Los Alamos, NM USA. RP Furer, M (reprint author), Penn State Univ, Comp Sci & Engn, University Pk, PA 16802 USA. EM furer@cse.psu.edu; sgaspers@dim.uchile.cl; kasivisw@gmail.com FU NSF [CCF-0728921]; Research Council of Norway (NFR); GRAAL French National Research Agency (ANR) [ANR-06-BLAN-0148] FX Visiting EPFL Lausanne and Universitat Zurich. Research supported in part by NSF Grant CCF-0728921. Partially supported by the Research Council of Norway (NFR) and by the GRAAL project ANR-06-BLAN-0148 of the French National Research Agency (ANR). NR 22 TC 6 Z9 6 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-642-11268-3 J9 LECT NOTES COMPUT SC PY 2009 VL 5917 BP 173 EP + PG 2 WC Computer Science, Theory & Methods SC Computer Science GA BPF41 UT WOS:000278758300014 ER PT S AU Dawson, S AF Dawson, S. BE Ayala, A CalcaneoRoldan, C MoralesRuiz, B PerezLorenzana, A Raya, A Sanchez, A TejadaYeomans, ME TI Introduction to Electroweak Symmetry Breaking SO PARTICLES AND FIELDS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th Mexican Workshop on Particles and Fields CY OCT 02-11, 2008 CL Hermosillo, MEXICO SP Consejo Natl Sci & Technol, Soc Mex Phys, Univ Natl Autonom, Univ Sonora, Ctr Invest & Study Adv Inst Polytech Natl, Univ Michoacana San Nicolas Hidalgo, Univ Colima, Univ Guanajuato, Benemerita Univ Autonom Puebla, Inst Polytech Natl DE Higgs boson; Standard Model ID HIGGS-BOSON MASS; STANDARD MODEL; RADIATIVE-CORRECTIONS; PHYSICS; TRIVIALITY; VACUUM AB In these lectures, I review the status of the electroweak sector of the Standard Model, with an emphasis on the importance of radiative corrections and searches for the Standard Model Higgs boson. A discussion of the special role of the TeV energy scale in electroweak physics is included. C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Dawson, S (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. NR 31 TC 1 Z9 1 U1 1 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0653-7 J9 AIP CONF PROC PY 2009 VL 1116 BP 11 EP 34 DI 10.1063/1.3131544 PG 24 WC Physics, Particles & Fields SC Physics GA BJK72 UT WOS:000266718400001 ER PT S AU Brodsky, SJ de Teramond, GF AF Brodsky, Stanley J. de Teramond, Guy F. BE Ayala, A CalcaneoRoldan, C MoralesRuiz, B PerezLorenzana, A Raya, A Sanchez, A TejadaYeomans, ME TI Light-Front Holography and Novel Effects in QCD SO PARTICLES AND FIELDS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 13th Mexican Workshop on Particles and Fields CY OCT 02-11, 2008 CL Hermosillo, MEXICO SP Consejo Natl Sci & Technol, Soc Mex Phys, Univ Natl Autonom, Univ Sonora, Ctr Invest & Study Adv Inst Polytech Natl, Univ Michoacana San Nicolas Hidalgo, Univ Colima, Univ Guanajuato, Benemerita Univ Autonom Puebla, Inst Polytech Natl DE AdS/CFT; QCD; Holography; Light-Front Wavefunctions; Hadronization ID DEEP-INELASTIC SCATTERING; FINAL-STATE INTERACTIONS; QUANTUM CHROMODYNAMICS; EXCLUSIVE PROCESSES; SPIN ASYMMETRIES; WAVE-FUNCTION; MOMENTUM; SYMMETRY AB The correspondence between theories in anti-de Sitter space and conformal field theories in physical space-time leads to an analytic, semiclassical model for strongly-coupled QCD. Light-front holography allows hadronic amplitudes in the Ads fifth dimension to be mapped to frame-independent light-front wavefunctions of hadrons in physical space-time, thus providing a relativistic description of hadrons at the amplitude level. We identify the Ads coordinate z with an invariant light-front coordinate zeta which separates the dynamics of quark and gluon binding from the kinematics of constituent spin and internal orbital angular momentum. The result is a single-variable light-front Schrodinger equation for QCD which determines the eigenspectrum and the light-front wavefunctions of hadrons for general spin and orbital angular momentum. The mapping of electromagnetic and gravitational form factors in Ads space to their corresponding expressions in light-front theory confirms this correspondence. Some novel features of QCD are discussed, including the consequences of confinement for quark and gluon condensates and the behavior of the QCD coupling in the infrared. The distinction between static structure functions such as the probability distributions computed from the square of the light-front wavefunctions versus dynamical structure functions which include the effects of rescattering is emphasized. A new method for computing the hadronization of quark and gluon jets at the amplitude level, an event amplitude generator, is outlined. C1 [Brodsky, Stanley J.] Stanford Univ, Stanford Linear Accelerator Ctr, Natl Accelerator Lab, Stanford, CA 94309 USA. [de Teramond, Guy F.] Univ Costa Rica, San Jose, Costa Rica. RP Brodsky, SJ (reprint author), Stanford Univ, Stanford Linear Accelerator Ctr, Natl Accelerator Lab, Stanford, CA 94309 USA. FU Mexican Academy of Sciences; Department of Energy [DE-AC02-76SF00515]; [SLAC-PUB-13491] FX Presented by SJB at the XIII Mexican School of Particles and Fields, San Carlos, Sonora, Mexico, October 2-11, 2008. He thanks Professors Alejandro Ayala, Alfredo Raya, Maria Elena Tejeda-Yeomans, and their colleagues of the organizing committees for their outstanding hospitality in San Carlos. He is also very appreciative for the support of the Mexican Academy of Sciences. We also thank Will Brooks, Carl Carlson, Stan Glazek, Paul Hoyer, Dae Sung Hwang, Pieter Maris, Ivan Schmidt, Robert Shrock and James Vary for helpful conversations and collaborations. This research was supported by the Department of Energy contract DE-AC02-76SF00515. SLAC-PUB-13491. NR 54 TC 8 Z9 8 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0653-7 J9 AIP CONF PROC PY 2009 VL 1116 BP 311 EP + DI 10.1063/1.3131569 PG 3 WC Physics, Particles & Fields SC Physics GA BJK72 UT WOS:000266718400034 ER PT J AU Martin, TR Klepac-Ceraj, V Lemon, K Allgaier, M Kembel, SW Knapp, AA Lory, S Brodie, EL Lynch, SV Bohannan, BJ Green, J Maurer, BA Kolter, R AF Martin, T. R. Klepac-Ceraj, V Lemon, K. Allgaier, M. Kembel, S. W. Knapp, A. A. Lory, S. Brodie, E. L. Lynch, S., V Bohannan, B. J. Green, J. Maurer, B. A. Kolter, R. TI RESPIRATORY MICROBIAL COMMUNITY: EFFECTS OF GENOTYPE, AGE, ANTIBIOTIC USE, AND PRESENCE OF P. AERUGINOSA SO PEDIATRIC PULMONOLOGY LA English DT Meeting Abstract C1 [Martin, T. R.; Lemon, K.; Knapp, A. A.] Childrens Hosp Boston, Boston, MA USA. [Klepac-Ceraj, V; Lory, S.; Kolter, R.] Harvard Univ, Sch Med, Dept Microbiol & Mol Genet, Boston, MA 02115 USA. [Allgaier, M.; Lynch, S., V] UCSF, San Francisco, CA USA. [Kembel, S. W.; Bohannan, B. J.; Green, J.] Univ Oregon, Ctr Ecol & Evolutionary Biol, Eugene, OR 97403 USA. [Brodie, E. L.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Maurer, B. A.] Michigan State Univ, Dept Fisheries & Wildlife, E Lansing, MI 48824 USA. RI Lynch, Susan/B-6272-2009; Brodie, Eoin/A-7853-2008 OI Brodie, Eoin/0000-0002-8453-8435 NR 0 TC 0 Z9 0 U1 0 U2 1 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 8755-6863 J9 PEDIATR PULM JI Pediatr. Pulmonol. PY 2009 MA 289 BP 313 EP 313 PG 1 WC Pediatrics; Respiratory System SC Pediatrics; Respiratory System GA 505OL UT WOS:000270703400368 ER PT S AU Mitchell, AR AF Mitchell, Alexander R. BE DelValle, S Escher, E Lubell, WD TI An Appreciation of the Scientific Life and Achievements of Bruce Merrifield SO PEPTIDES FOR YOUTH SE Advances in Experimental Medicine and Biology LA English DT Article; Proceedings Paper CT 20th American-Peptide-Society Symposium CY JUN 26-30, 2007 CL Montreal, CANADA SP Amer Peptide Soc C1 Lawrence Livermore Natl Lab, Energet Mat Ctr, Livermore, CA 94550 USA. RP Mitchell, AR (reprint author), Lawrence Livermore Natl Lab, Energet Mat Ctr, 7000 E Ave,L 282, Livermore, CA 94550 USA. NR 8 TC 0 Z9 0 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 0065-2598 BN 978-0-387-73656-3 J9 ADV EXP MED BIOL JI Adv.Exp.Med.Biol. PY 2009 VL 611 BP 23 EP 25 DI 10.1007/978-0-387-73657-0_11 PG 3 WC Biochemistry & Molecular Biology; Medicine, Research & Experimental SC Biochemistry & Molecular Biology; Research & Experimental Medicine GA BJH04 UT WOS:000265773200011 PM 19400078 ER PT B AU Scrapper, C Madhavan, R Lakaemper, R Censi, A Godil, A Wagan, A Jacoff, A AF Scrapper, C. Madhavan, R. Lakaemper, R. Censi, A. Godil, A. Wagan, A. Jacoff, A. BE Madhavan, R Tubstel, E Messina, E TI Quantitative Assessment of Robot-Generated Maps SO PERFORMANCE EVALUATION AND BENCHMARKING OF INTELLIGENT SYSTEMS LA English DT Proceedings Paper CT Workshop on Performance Metrics for Intelligent Systems (PerMIS 08) CY AUG 19-21, 2008 CL Natl Inst Stand, Gaithersburg, MD HO Natl Inst Stand AB Mobile robotic mapping is now considered to be a sufficiently mature field with demonstrated successes in various domains. While much progress has been made in the development of computationally efficient and consistent mapping schemes, it is still murky, at best, on how these maps can be evaluated. We are motivated by the absence of an accepted standard for quantitatively measuring the performance of robotic mapping systems against user-defined requirements. It is our belief that the development of standardized methods for quantitatively evaluating existing robotic technologies will improve the utility of mobile robots in already established application areas, such as vacuum cleaning, robot surveillance, and bomb disposal. This approach will also enable the proliferation and acceptance Of Such technologies in emerging markets. This chapter summarizes our preliminary efforts by bringing to-ether the research community towards addressing this important problem which has ramifications not only from researchers' perspective but also from consumers', robot manufacturers', and developers' viewpoints. C1 [Scrapper, C.] Mitre Corp, 7525 Colshire Dr, Mclean, VA 22102 USA. [Madhavan, R.] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA. [Madhavan, R.; Jacoff, A.] NIST, Intelligent Syst Div, Gaithersburg, MD 20899 USA. [Lakaemper, R.] Temple Univ, Dept Comp & Informat Sci, Philadelphia, PA 19122 USA. [Censi, A.] CALTECH, Control & Dynam Syst, Pasadena, CA 91125 USA. [Godil, A.; Wagan, A.] NIST, Informat Technol Lab, Gaithersburg, MD 20899 USA. RP Scrapper, C (reprint author), Mitre Corp, 7525 Colshire Dr, Mclean, VA 22102 USA. EM cscrapper@mitre.org; raj.madhavan@ieee.org; lakamper@temple.edu; andrea@cds.caltech.edu; afzal.godil@nist.gov; asim.wagan@nist.gov; adam.jacoff@nist.gov RI Wagan, Asim Imdad/A-8794-2014; OI Wagan, Asim Imdad/0000-0001-9765-5385; Censi, Andrea/0000-0001-5162-0398 NR 41 TC 1 Z9 1 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-1-4419-0491-1 PY 2009 BP 221 EP + DI 10.1007/978-1-4419-0492-8_10 PG 4 WC Computer Science, Artificial Intelligence SC Computer Science GA BMM54 UT WOS:000272813500010 ER PT B AU Ice, GE Pang, JWL Barabash, RA AF Ice, Gene E. Pang, Judy W. L. Barabash, Rozaliya A. BE Amarendra, G Raj, B Manghnani, MH TI Polychromatic Microdiffraction Studies of Inhomogeneous Deformation SO PERSPECTIVES IN MATERIALS CHARACTERIZATION SE Series in Metallurgy and Materials Science LA English DT Article; Book Chapter DE Polychromatic microdiffraction; local elastic stress; defects; mesoscale structure; electromigration ID X-RAY-DIFFRACTION; INDIVIDUAL BULK GRAINS; HEAT-AFFECTED ZONE; PLASTIC-DEFORMATION; LATTICE ROTATIONS; INTERGRANULAR STRAINS; ELECTROMIGRATION; DISLOCATIONS; INTERCONNECT; MICROSCOPY AB Polychromatic microdiffraction is an emerging non-destructive probe of local crystal structure that provides submicron-resolved three-dimensional (3-D) maps of the local phase, crystalline orientation, and the local elastic-stress and dislocation tensors. The unique ability to characterize these critical material properties before, during, and after deformation, provides new insights and guidance for theories that attempt to include realistic local properties to model materials evolution and inhomogeneous deformation. The recent installation of dedicated polychromatic microdiffraction beamlines on powerful synchrotron sources has enabled demonstration measurements. Early experiments illustrate the promise of polychromatic microdiffraction to bridge the experimental gap between atomistic and continuum scales. New instrumentation will improve spatial resolution and accelerate data collection by two to four orders of magnitude. This will allow the technique to become routinely three-dimensional and will greatly improve insights into the roles that local structures and defect distributions play in inhomogeneous deformation. C1 [Ice, Gene E.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Xray Scattering & Microscopy Grp, Oak Ridge, TN 37831 USA. [Barabash, Rozaliya A.] Univ Tennessee, Knoxville, TN USA. RP Ice, GE (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Xray Scattering & Microscopy Grp, Oak Ridge, TN 37831 USA. NR 50 TC 0 Z9 0 U1 0 U2 0 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4398-0796-5 J9 SER METALL MATER SCI PY 2009 BP 55 EP 76 PG 22 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Spectroscopy SC Materials Science; Metallurgy & Metallurgical Engineering; Spectroscopy GA BKC28 UT WOS:000267749800003 ER PT J AU Bigelow, DJ AF Bigelow, Diana J. TI Nitrotyrosine-modified SERCA2: a cellular sensor of reactive nitrogen species SO PFLUGERS ARCHIV-EUROPEAN JOURNAL OF PHYSIOLOGY LA English DT Article DE SERCA2; Aging; Oxidation; Inflammation; Reactive oxygen species; Nitrotyrosine ID NITRIC-OXIDE SYNTHASE; SARCOPLASMIC-RETICULUM CA2+-ATPASE; PROTEIN-TYROSINE NITRATION; SKELETAL-MUSCLE; S-GLUTATHIOLATION; CALCIUM-ATPASE; CA-ATPASE; CONTRACTILE DYSFUNCTION; BIOLOGICAL IMPLICATIONS; SELECTIVE DEGRADATION AB The endo-/sarcoplasmic reticulum Ca(2+)-Mg(2+)-adenosine triphosphatase (SERCA2) isoform of the sarco/endoplasmic reticulum Ca(2+)-ATPase is sensitive to cellular conditions of inflammation and oxidative stress as evidenced by the common appearance of 3-nitrotyrosine-modified forms of SERCA2 in aging and disease in both striated and smooth muscle of humans and rodent models. Structure-function studies of nitrated SERCA2 in aging heart and skeletal muscle demonstrate stoichiometric nitration of vicinal tyrosines, Tyr(294) and Tyr(295), on the lumenal side of the membrane-spanning helix, M4, which correlates with partial inhibition of Ca(2+)-ATPase activity suggesting a possible regulatory function in down-regulating mitochondrial energy production and the associated generation of reactive oxygen/nitrogen species. This review discusses recent work regarding the nitrative and oxidative sensitivity of SERCA2 in muscle with respect to general cellular mechanisms of turnover and repair of modified proteins. C1 Pacific NW Natl Lab, Div Biol, Richland, WA 99352 USA. RP Bigelow, DJ (reprint author), Pacific NW Natl Lab, Div Biol, POB 999,MS-P7-56, Richland, WA 99352 USA. EM diana.bigelow@pnl.gov FU National Institutes of Health [AG18013, AG12993]; Pacific Northwest National Laboratory; U.S. Department of Energy [DE-AC06-76RL01830] FX This work was supported by grants from the National Institutes of Health (AG18013 and AG12993) and the LDRD Program at the Pacific Northwest National Laboratory, a multi-program national laboratory operated by Battelle for the U.S. Department of Energy under Contract DE-AC06-76RL01830. NR 67 TC 15 Z9 15 U1 0 U2 3 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0031-6768 J9 PFLUG ARCH EUR J PHY JI Pflugers Arch. PD JAN PY 2009 VL 457 IS 3 BP 701 EP 710 DI 10.1007/s00424-007-0429-6 PG 10 WC Physiology SC Physiology GA 393ZF UT WOS:000262414300014 PM 18172601 ER PT J AU Magid, KR Florando, JN Lassila, DH LeBlanc, MM Tamura, N Morris, JW AF Magid, K. R. Florando, J. N. Lassila, D. H. LeBlanc, M. M. Tamura, N. Morris, J. W., Jr. TI Mapping mesoscale heterogeneity in the plastic deformation of a copper single crystal SO PHILOSOPHICAL MAGAZINE LA English DT Article DE copper; plastic deformation; x-ray diffraction ID X-RAY MICRODIFFRACTION; DISLOCATION ARRANGEMENT; UNIAXIAL-STRESS; THIN-FILMS; ETCH PITS; STRAIN; DIFFRACTION; ORIENTATION; TEXTURE; SIMULATIONS AB Part of a 'multiscale characterization' study of heterogeneous deformation patterns in metals is reported. A copper single crystal was oriented for single slip in the (111)[[image omitted]] slip system and tested to 10% strain in roughly uniaxial compression. The macroscopic strain field was monitored during the test by optical 'image correlation'. The strain field was measured on orthogonal surfaces, one of which (the x-face) was oriented perpendicular to [[image omitted]] and contained the [[image omitted]] direction of the preferred slip system. The macroscopic strain developed in an inhomogeneous pattern of broad, crossed shear bands in the x-face. One, the primary band, lay parallel to (111). The second, the 'conjugate' band, was oriented perpendicular to (111) with an overall ([image omitted]) habit that contains no common slip plane of the fcc crystal. The mesoscopic deformation pattern was explored with selected area diffraction, using a focused synchrotron radiation polychromatic beam with a resolution of 1-3 m. Areas within the primary, conjugate and mixed (primary + conjugate) strain regions of the x-face were identified and mapped for their orientation, excess defect density and shear stress. The mesoscopic defect structure was concentrated in broad, somewhat irregular primary bands that lay nominally parallel to (111) in an almost periodic distribution with a period of about 30 m. These primary bands were dominant even in the region of conjugate strain. There were also broad conjugate defect bands, almost precisely perpendicular to the primary bands, which tended to bridge primary bands and terminate at them. The residual shear stresses were large (ranging to well above 500 MPa) and strongly correlated with the primary shear bands; interband stresses were small. The maximum resolved shear stresses within the primary bands were oriented out of the plane of the bands, and, hence, could not recover the dislocation structure in the bands. The maximum resolved shear stresses in the interband regions lay predominantly in {111} planes. The results are compared to the mesoscopic defect patterns found in Cu in etch pit studies done some decades ago, which also revealed a mesoscopic dislocation structure made up of orthogonal bands. C1 [Magid, K. R.; Morris, J. W., Jr.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Florando, J. N.; Lassila, D. H.; LeBlanc, M. M.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Tamura, N.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Morris, JW (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. EM jwmorris@berkeley.edu FU U.S. Department of Energy [DE-AC02-05CH11231] FX This work was performed under the auspices of the U. S. Department of Energy by University of California, Lawrence Livermore National Laboratory under Contract W-7405-Eng-48. 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 at Lawrence Berkeley National Laboratory. NR 36 TC 12 Z9 13 U1 0 U2 9 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 1 BP 77 EP 107 AR PII 907848596 DI 10.1080/14786430802558577 PG 31 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 395DJ UT WOS:000262502300005 ER PT J AU Mendelev, MI Kramer, MJ Ott, RT Sordelet, DJ AF Mendelev, M. I. Kramer, M. J. Ott, R. T. Sordelet, D. J. TI Molecular dynamics simulation of diffusion in supercooled Cu-Zr alloys SO PHILOSOPHICAL MAGAZINE LA English DT Article DE diffusion; liquid alloys; diffraction; molecular dynamic simulations ID BULK METALLIC GLASSES; INTERATOMIC POTENTIALS APPROPRIATE; AMORPHOUS-ALLOYS; MECHANICAL-PROPERTIES; ACTIVATION VOLUME; FORMING ABILITY; BINARY-LIQUIDS; STABILITY; DEFORMATION; CRYSTALLINE AB Molecular dynamics (MD) simulations of diffusion in Cu-Zr alloys in their liquid and supercooled liquid states were performed using a recently developed Finnis-Sinclair many-body interatomic potential. To help assess how well the interatomic potential describes the energetics of the Cu-Zr system, the liquid structure determined by MD simulations was compared with wide-angle X-ray scattering measurements of the liquid structure for a Cu(64.5)Zr(35.5) alloy. Diffusion was examined as a function of composition, pressure and temperature. The simulations reveal that the diffusion exhibits strong compositional dependence, with both species exhibiting minimum diffusivities at similar to 70% Cu. Moreover, the MD simulations show that the activation volumes for Zr and Cu atoms exhibit a maximum near 70% Cu. Evidence is obtained that the glass transition temperature also changes strongly with composition, thereby contributing to the diffusion behaviour. The relationship between this minimum in diffusion and the apparent best glass-forming composition in the Cu-Zr system is discussed. C1 [Mendelev, M. I.; Kramer, M. J.; Ott, R. T.; Sordelet, D. J.] Ames Lab, Mat & Engn Phys Program, Ames, IA 50011 USA. RP Mendelev, MI (reprint author), Ames Lab, Mat & Engn Phys Program, Ames, IA 50011 USA. EM mendelev@ameslab.gov NR 58 TC 34 Z9 35 U1 6 U2 28 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 2 BP 109 EP 126 DI 10.1080/14786430802570648 PG 18 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 407LK UT WOS:000263365000001 ER PT J AU Ren, F Case, ED Ni, JE Timm, EJ Lara-Curzio, E Trejo, RM Lin, CH Kanatzidis, MG AF Ren, F. Case, E. D. Ni, J. E. Timm, E. J. Lara-Curzio, E. Trejo, R. M. Lin, C. -H. Kanatzidis, M. G. TI Temperature-dependent elastic moduli of lead telluride-based thermoelectric materials SO PHILOSOPHICAL MAGAZINE LA English DT Article DE semiconductors; elasticity; ultrasonics; cast; hot-pressed; thermoelectric ID HEAT-TRANSFER COEFFICIENT; GRAIN-SIZE; THERMAL-SHOCK; POLYCRYSTALLINE ALUMINA; POWER-GENERATION; CONSTANTS; MICROCRACKING; SOLIDS; AGPBMSBTE2+M; EFFICIENCY AB In the open literature, reports of mechanical properties are limited for semiconducting thermoelectric materials, including the temperature dependence of elastic moduli. In this study, for both cast ingots and hot-pressed billets of Ag-, Sb-, Sn- and S-doped PbTe thermoelectric materials, resonant ultrasound spectroscopy (RUS) was utilized to determine the temperature dependence of elastic moduli, including Young's modulus, shear modulus and Poisson's ratio. This study is the first to determine the temperature-dependent elastic moduli for these PbTe-based thermoelectrics, and among the few determinations of elasticity of any thermoelectric material for temperatures above 300 K. The Young's modulus and Poisson's ratio, measured from room temperature to 773K during heating and cooling, agreed well. Also, the observed Young's modulus, E, versus temperature, T, relationship, E(T) = E-0(1-bT), is consistent with predictions for materials in the range well above the Debye temperature. A nanoindentation study of Young's modulus on the specimen faces showed that both the cast and hot-pressed specimens were approximately elastically isotropic. C1 [Ren, F.; Case, E. D.; Ni, J. E.] Michigan State Univ, Dept Chem Engn & Mat Sci, E Lansing, MI 48824 USA. [Timm, E. J.] Michigan State Univ, Dept Mech Engn, E Lansing, MI 48824 USA. [Lara-Curzio, E.; Trejo, R. M.] Oak Ridge Natl Lab, High Temp Mat Lab, Oak Ridge, TN 37871 USA. [Lin, C. -H.] Michigan State Univ, Dept Chem, E Lansing, MI 48824 USA. [Kanatzidis, M. G.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. RP Case, ED (reprint author), Michigan State Univ, Dept Chem Engn & Mat Sci, E Lansing, MI 48824 USA. EM casee@egr.msu.edu RI Ren, Fei/E-7706-2011; Lin, Chia-Her/L-7009-2014 OI Lin, Chia-Her/0000-0002-1360-0828 FU U. S. Department of Energy [DE-FC26-04NT42281, DE-AC05-00OR22725]; Office of Naval Research MURI [N000140310789]; Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Freedom CAR and Vehicle Technologies FX The authors acknowledge the financial assistance of the U. S. Department of Energy Grant DE-FC26-04NT42281 and Office of Naval Research MURI Grant number N000140310789. The research work at the High Temperature Materials Laboratory was sponsored by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Freedom CAR and Vehicle Technologies, as part of the High Temperature Materials Laboratory User Program, Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U. S. Department of Energy under contract number DE-AC05-00OR22725. One of the authors (F. Ren) would like to acknowledge the financial support from the Higher Education Research Experience program sponsored by the Oak Ridge National Laboratory during his tenure at the High Temperature Materials Laboratory. NR 79 TC 28 Z9 28 U1 5 U2 27 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 2 BP 143 EP 167 DI 10.1080/14786430802607119 PG 25 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 407LK UT WOS:000263365000003 ER PT J AU Taylor, CD AF Taylor, C. D. TI Periodic trends governing the interactions between impurity atoms [H-Ar] and -U SO PHILOSOPHICAL MAGAZINE LA English DT Article DE uranium; absorption; impurity; thermodynamics; ab-initio; periodic trends ID VACANCY; ALLOYS; METALS; URANIUM; DENSITY; HEAT AB The binding energies, geometries, charges and electronic structures of a series of impurity atoms [H-Ar] interacting with the -U lattice in various configurations were assessed by means of density functional theory calculations. Periodic trends governing the binding energy were highlighted and related to the electronic properties of the impurity atoms, with some consideration given to the band-structure of -U. The strongest bound impurity atoms include [C, N, O] and [Si, P, S]. The general trends in the binding energy can be reproduced by a simple parameterisation in terms of the electronegativity (charge-transfer) and covalent radius (elasticity theory) of the impurity atom. The strongest bound atoms deviate from this model, due to their ability to bind with an optimum mixture of covalency and ionicity. This last point is evidenced by the partial overlap of the impurity atom p-band with the hybrid d-/f-band of -U. It is expected that the trends and general behaviour reported in this work can be extended to the interactions of impurity atoms with other metallic systems. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Taylor, CD (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM cdtaylor@lanl.gov FU US Department of Energy [DE-AC52-06NA25396] FX The author gratefully acknowledges helpful discussions with Michael Francis at the University of Virginia and Dr Scott Lillard at Los Alamos National Laboratory. The author also thanks Saryu Jindal and Dr Chao Jiang (Los Alamos National Laboratory), as well as anonymous reviewers, for careful readings of the manuscript and their recommendations. Gratitude is also expressed towards the Seaborg Post-Doctoral Program at Los Alamos National Laboratory for funding this work. The Los Alamos National Laboratory 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 33 TC 3 Z9 3 U1 0 U2 1 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 EI 1478-6443 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 5 BP 465 EP 487 AR PII 908709267 DI 10.1080/14786430802665893 PG 23 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 407LP UT WOS:000263365900005 ER PT J AU Ono, K Miyamoto, M Arakawa, K Birtcher, RC AF Ono, K. Miyamoto, M. Arakawa, K. Birtcher, R. C. TI Dynamical response of helium bubble motion to irradiation with high-energy self-ions in aluminum at high temperature SO PHILOSOPHICAL MAGAZINE LA English DT Article DE radiation damage; helium bubble; aluminum; electron microscopy ID IN-SITU OBSERVATION; CASCADE DAMAGE; MIGRATION; EVOLUTION; BEHAVIOR; EQUATION; STATE; GOLD; CU AB Brownian-type motion of helium bubbles in aluminum and its dynamical response to irradiation with 100-keV Al+ ions at high temperatures has been studied using in situ irradiation and transmission electron microscopy. It is found that, for most bubbles, the Brownian-type motion is retarded under irradiation, while the mobility returns when the irradiation is stopped. In contrast, under irradiation, a small number of bubbles display exceptionally rapid motion associated with the change in bubble size. These effects are discussed in terms of the dynamical interaction of helium bubbles with cascade damage formed by the high-energy self-ion irradiation. C1 [Ono, K.; Miyamoto, M.] Shimane Univ, Dept Mat Sci, Matsue, Shimane 6906504, Japan. [Arakawa, K.] Osaka Univ, Res Ctr UHV EM, Suita, Osaka 5650871, Japan. [Birtcher, R. C.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Ono, K (reprint author), Shimane Univ, Dept Mat Sci, 1060 Nishi Kawatsu, Matsue, Shimane 6906504, Japan. EM k-ono@riko.shimane-u.ac.jp FU US DOE Office of Science FX The IVEM-Tandem Facility (within the Electron Microscopy Center at Argonne National Laboratory) is supported by the US DOE Office of Science. We thank P. Baldo and E. Ryan of ARL for their help in using the IVEM- Tandem facility. NR 22 TC 2 Z9 2 U1 0 U2 4 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 6 BP 513 EP 524 AR PII 908731603 DI 10.1080/14786430802629493 PG 12 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 407LR UT WOS:000263366200002 ER PT J AU Altay, A Carter, CB Arslan, I Gulgun, MA AF Altay, A. Carter, C. B. Arslan, I. Gulgun, M. A. TI Crystallization of CaAl4O7 and CaAl12O19 powders SO PHILOSOPHICAL MAGAZINE LA English DT Article DE crystallization; calcium aluminate; TEM; Ca doping; -alumina ID CALCIUM ALUMINATE GLASSES; GAMMA-ALUMINA; COMBUSTION SYNTHESIS; VACANCY DISTRIBUTION; MOLECULAR-DYNAMICS; CAO-AL2O3 SYSTEM; COMPOSITE; ALPHA-AL2O3; PRECURSORS; OXIDE AB Calcium is always present in alumina systems as an unintentional (or intentional) dopant, and yet the fundamental effect of its incorporation into the aluminas is not well understood, and is further complicated by the presence of Si. The synthesis of powders of two calcium aluminate phases (CaAl4O7, which is also known as CaO 2Al2O3 or CA2, and CaAl12O19, which is also known as CaO 6Al2O3 or CA6) has been investigated using low-temperature chemical-processing techniques. The crystallization of these powders from the amorphous precursor has been examined using various characterization techniques. The precursors for the powders were prepared by mixing stoichiometric proportions of the nitrate salts into a 5 wt% aqueous solution of poly(vinyl alcohol). Conversion of the amorphous precursors to crystalline powders and the subsequent phase transitions were monitored using differential thermal analysis (DTA), thermogravimetric analysis (TGA) and powder X-ray diffractometry (XRD). While powders with CA2 stoichiometry crystallized directly at 883C, amorphous powders with CA6 stoichiometry first crystallized into an intermediate structure without partitioning and then transformed into CA6 at 1175C. Fully and partially crystallized powders were analyzed using transmission electron microscopy and electron energy-loss spectroscopy (EELS). Measured near-edge structures (Al-L2,3, Ca-L2,3 and O-K) are presented for the CA2, -Al2O3 and CA6 phases. The intermediate phase, identified as -Al2O3, was found to accommodate a significant concentration of Ca. C1 [Carter, C. B.] Univ Connecticut, Dept Chem Mat & Biomol Engn, Storrs, CT 06269 USA. [Altay, A.] Envy Energy & Environm Investments Inc, TR-06450 Ankara, Turkey. [Arslan, I.] Sandia Natl Labs, Livermore, CA 94550 USA. [Gulgun, M. A.] Sabanci Univ, FENS, TR-34956 Istanbul, Turkey. [Altay, A.; Carter, C. B.] Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA. RP Carter, CB (reprint author), Univ Connecticut, Dept Chem Mat & Biomol Engn, Storrs, CT 06269 USA. EM cbcarter@engr.uconn.edu RI Carter, C. Barry/E-6478-2010 OI Carter, C. Barry/0000-0003-4251-9102 FU US Department of Energy [DE-FG02-01ER45883, DE-AC02-05CH11231, DE-AC04-94AL85000]; 3M Harry Heltzer Endowed Chair funds; NSF international travel [INT-0322622]; Sandia's Truman Fellowship LDRD FX The authors thank Professor Nigel Browning and Dr Miaofang Chi for their help with EELS measurements. The work was initially supported by US Department of Energy through grant DE-FG02-01ER45883 and recently by 3M Harry Heltzer Endowed Chair funds and an NSF international travel grant INT-0322622. The authors acknowledge use of facilities at the National Center for Electron Microscopy, Lawrence Berkeley Laboratory, which is supported by the US Department of Energy under Contract # DE-AC02-05CH11231. IA acknowledges funding from Sandia's Truman Fellowship LDRD; 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 65 TC 7 Z9 7 U1 5 U2 28 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 EI 1478-6443 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 7 BP 605 EP 621 AR PII 909436976 DI 10.1080/14786430902720986 PG 17 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 417YC UT WOS:000264113400002 ER PT J AU Niewczas, M Hoagland, RG AF Niewczas, M. Hoagland, R. G. TI Molecular dynamics studies of the interaction of a/6 112 Shockley dislocations with stacking fault tetrahedra in copper. Part I: Intersection of SFT by an isolated Shockley SO PHILOSOPHICAL MAGAZINE LA English DT Article DE molecular dynamic simulations; Shockley dislocations; twinning; stacking fault tetrahedra; vacancies; twin-SFT intersections; twinning dislocations; irradiation defects; relaxation mechanisms; copper ID ELECTRON-MICROSCOPY OBSERVATIONS; ATOMIC-SCALE; POSITRON-ANNIHILATION; MECHANICAL-PROPERTIES; GLIDING DISLOCATIONS; NEUTRON-IRRADIATION; DEFECT INTERACTIONS; VACANCY CLUSTERS; SINGLE-CRYSTALS; FCC METALS AB The interactions of Shockley dislocations with stacking fault tetrahedra (SFTs) formed during twinning deformation in fcc crystals have been studied by molecular dynamics using a copper potential. The fundamental mechanisms by which a moving Shockley dislocation interacts with a SFT involve shearing the apex, formation of a residual loop around the SFT and reactions with dislocations at the tetrahedron base. The latter reactions are critical to defect stability; they lead to the formation of Shockley dislocations mobile in two faces of the parent tetrahedron making it penetrable to dislocations moving on adjacent planes during thickening of the twin. Relaxation of SFTs distorted by a homogeneous twinning shear was also studied. These results reveal that parent SFTs convert to structures containing rotated product SFTs, rows of vacancies and stacking faults on [image omitted] planes bounded by partial dislocations. Dislocation mechanisms involved in Shockley-SFT interactions and formation of new defects derived from twin-sheared SFTs are being analyzed. C1 [Niewczas, M.; Hoagland, R. G.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Niewczas, M (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM niewczas@mcmaster.ca RI Hoagland, Richard/G-9821-2012 FU LANL Directed Research and Development Program; Los Alamos National Laboratory FX This work was supported by the LANL Directed Research and Development Program. One of us, MN, would like to thank the Los Alamos National Laboratory for this financial support during sabbatical leave. We also appreciate the helpful discussions with Prof. John Hirth. NR 40 TC 11 Z9 11 U1 5 U2 30 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 7 BP 623 EP 640 AR PII 909445138 DI 10.1080/14786430902740737 PG 18 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 417YC UT WOS:000264113400003 ER PT J AU Niewczas, M Hoagland, RG AF Niewczas, M. Hoagland, R. G. TI Molecular dynamic studies of the interaction of a/6112 Shockley dislocations with stacking fault tetrahedra in copper. Part II: Intersection of stacking fault tetrahedra by moving twin boundaries SO PHILOSOPHICAL MAGAZINE LA English DT Article DE stacking fault tetrahedra; Shockley dislocation; twinning transformation; atomic structure; defect structures; deformation twinning; dislocation interactions; lattice defects; molecular dynamic simulations; strengthening mechanisms; vacancies ID ATOMIC-SCALE; POSITRON-ANNIHILATION; CU; METALS; CRYSTALS; COLLAPSE; DEFECTS AB The interactions of moving twin boundaries with stacking fault tetrahedra (SFTs) have been studied by molecular dynamics. The results reveal a spectrum of processes occurring during these interactions. In general, they lead to damage of the parent SFT and formation of new defects in the twin lattice. The character of these defects depends on the nature of the twinning front, the size of the SFT and its orientation with respect to incoming dislocations. Typical structures that may be produced in the twin include product-SFTs, free vacancies, planar stacking faults bounded by partial dislocations, mutually linked stacking faults on non-coplanar {111}T planes, small {111}T tetrahedra and their partial forms. Dislocation mechanisms involved in the formation of these defects are being analyzed. C1 [Niewczas, M.; Hoagland, R. G.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Niewczas, M (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM niewczas@mcmaster.ca RI Hoagland, Richard/G-9821-2012 FU LANL Directed Research and Development Program FX This work was supported by the LANL Directed Research and Development Program. MN would like to thank the Los Alamos National Laboratory for this financial support during sabbatical leave. We also appreciate the helpful discussions with Professor John Hirth. NR 24 TC 13 Z9 13 U1 5 U2 22 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 8 BP 727 EP 746 AR PII 909450819 DI 10.1080/14786430902740703 PG 20 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 417YE UT WOS:000264113600004 ER PT J AU Gido, SP Panday, A AF Gido, S. P. Panday, A. TI Azimuthal orientational correlations due to excluded volume epitaxy in growing anisotropic grains SO PHILOSOPHICAL MAGAZINE LA English DT Article DE azimuthal orientational correlations; anisotropic grains; block copolymer microstructure; transmission electron microscopy (TEM); grain growth ID POLYSTYRENE-BLOCK-POLYISOPRENE; COPOLYMER LITHOGRAPHY; BOUNDARY MORPHOLOGY; LAMELLAR MORPHOLOGY; ORDERING DYNAMICS; GAS-PERMEABILITY; GROWTH KINETICS; PHASE-CHANGE; ARRAYS; MODEL AB The microstructure of anisotropically shaped grains can strongly influence a range of material properties, including transport, mechanical and electro-optical. A grain-structure-related phenomenon, known as excluded volume epitaxy (EVE), is reported in this study. EVE is a local, inter-grain orientational correlations effect, which results from a combination of continuous nucleation of anisotropic grains and impingement of growing grains. Due to EVE, anisotropically shaped grains have a tendency to be similarly aligned in a local neighbourhood, despite the absence of any forced global orientation in the sample. The effect has been repeatedly observed by the authors in block copolymers, as illustrated by a representative TEM image. Optical microscopy of anisotropically shaped non-polymeric crystals revealed the generality of this effect. The simulation study revealed a tendency for azimuthal, inter-grain orientational correlation and re-confirmed the experimental observation of EVE. C1 [Gido, S. P.; Panday, A.] Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA. [Panday, A.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Gido, SP (reprint author), Univ Massachusetts, Dept Polymer Sci & Engn, Amherst, MA 01003 USA. EM apanday@lbl.gov NR 36 TC 0 Z9 0 U1 0 U2 2 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 9 BP 771 EP 787 AR PII 909642732 DI 10.1080/14786430802629527 PG 17 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 420FO UT WOS:000264274600004 ER PT J AU Mendelev, MI Kramer, MJ Ott, RT Sordelet, DJ Yagodin, D Popel, P AF Mendelev, M. I. Kramer, M. J. Ott, R. T. Sordelet, D. J. Yagodin, D. Popel, P. TI Development of suitable interatomic potentials for simulation of liquid and amorphous Cu-Zr alloys SO PHILOSOPHICAL MAGAZINE LA English DT Article DE diffraction methods; interatomic potential; molecular dynamic simulations ID EMBEDDED-ATOM METHOD; STRUCTURAL BEHAVIOR; METALLIC GLASSES; CRYSTALLINE; APPROPRIATE; CU33ZR67; ALUMINUM; SYSTEM; MODEL AB We present a new semi-empirical potential suitable for molecular dynamics simulations of liquid and amorphous Cu-Zr alloys. To provide input data for developing the potential, new experimental measurements of the structure factors for amorphous Cu64.5Zr35.5 alloy were performed. In this work, we propose a new method to include diffraction data in the potential development procedure, which also includes fitting to first-principles and liquid density and enthalpy of mixing data. To refine the new potential, we used first-principles and liquid enthalpy of mixing data published earlier combined with the densities of liquid Cu64.5Zr35.5 measured over a range of temperatures. We show that the potential predicts a liquid-to-glass transition temperature that agrees reasonably well with experimental data. Finally, we compare the new potential with two previously developed semi-empirical potentials for Cu-Zr alloys and examine their comparative and contrasting descriptions of structure and properties for Cu64.5Zr35.5 liquids and glasses. C1 [Mendelev, M. I.; Kramer, M. J.; Ott, R. T.; Sordelet, D. J.] Ames Lab, Mat & Engn Phys Program, Ames, IA 50011 USA. [Yagodin, D.; Popel, P.] Ural State Pedag Univ, Ekaterinburg, Russia. RP Mendelev, MI (reprint author), Ames Lab, Mat & Engn Phys Program, Ames, IA 50011 USA. EM mendelev@ameslab.gov RI Yagodin, Denis/A-4425-2014 FU United States Department of Energy [DE-AC02-07CH11358, DE-AC02-06CH11357] FX This work was supported by the United States Department of Energy, Office of Basic Energy Sciences as follows: efforts at the Ames Laboratory were supported under Contract No. DE-AC02-07CH11358 and use of the Advanced Photon Source was supported under Contract No. DE-AC02-06CH11357. NR 33 TC 104 Z9 105 U1 2 U2 52 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 11 BP 967 EP 987 AR PII 910503793 DI 10.1080/14786430902832773 PG 21 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 435YY UT WOS:000265380600003 ER PT J AU Salvador, JR Yang, J Shi, X Wang, H Wereszczak, AA Kong, H Uher, C AF Salvador, J. R. Yang, J. Shi, X. Wang, H. Wereszczak, A. A. Kong, H. Uher, C. TI Transport and mechanical properties of Yb-filled skutterudites SO PHILOSOPHICAL MAGAZINE LA English DT Article DE electron microscopy; materials preparation; mechanical property evaluation; thermal transport; thermoelectric power ID THERMOELECTRIC PROPERTIES; HIGH FIGURE; MERIT AB A series of Yb-filled skutterudites were produced and powder samples consolidated using spark plasma sintering (SPS). The effect of different heating cycles on the resulting transport properties of the consolidated samples was explored. Specifically, the effect of sample uniformity on the electrical and thermal transport properties was explored. In addition to the optimal Yb-filling fraction, other factors, such as heating profiles and sintering conditions, were found to play a pivotal role in the performance of these materials. Large quantities of Yb-filled skutterudite material can be generated with high purity and uniformity. Resonant ultrasound spectroscopy was used to determine the elastic modulus and Poisson's ratio. Fracture strength was measured for 12 specimens and, taken with information obtained from resonant ultrasound spectroscopy and from thermal expansion and thermal transport characteristics, the thermal shock resistance parameter was evaluated. These parameters will be important for the engineering of thermoelectric modules based on skutterudite materials. C1 [Salvador, J. R.; Yang, J.] GM Corp, Mat & Proc Lab, R&D Ctr, Warren, MI 48090 USA. [Shi, X.] Optimal Inc, Plymouth Township, MI 48170 USA. [Wang, H.; Wereszczak, A. A.] Oak Ridge Natl Lab, High Temp Mat Lab, Oak Ridge, TN 37831 USA. [Kong, H.; Uher, C.] Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. RP Salvador, JR (reprint author), GM Corp, Mat & Proc Lab, R&D Ctr, Warren, MI 48090 USA. EM james.salvador@gm.com; jhui.yang@gm.com RI Yang, Jihui/A-3109-2009; Wang, Hsin/A-1942-2013; Wereszczak, Andrew/I-7310-2016 OI Wang, Hsin/0000-0003-2426-9867; Wereszczak, Andrew/0000-0002-8344-092X FU DOE [DE-FC26-04 NT42 278]; Assistant Secretary for Energy Efficiency and Renewable Energy; Office of Transportation Technologies; Oak Ridge National Laboratory; UT-Battelle LLC [DE-AC05000 OR22725] FX JRS, XS, and JY would like to thank J. Herbst and M. Verbrugge for their continued support and encouragement. AAW thanks S. Waters, K. Strong Jr., and T. Kirkland for their assistance with the dilatometry, elastic property measurements, and strength testing, respectively. Elemental analysis provided by Richard Waldo Powder X-ray diffraction by Richard Speer Jr. Transmission electron microscopy was provided by Michael Balogh. This work is supported by GM and by DOE under corporate agreement DE-FC26-04 NT42 278. This work was also supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Transportation Technologies, as part of the High Temperature Materials Laboratory User Program at Oak Ridge National Laboratory by the UT-Battelle LLC, for the Department of Energy under contract DE-AC05000 OR22725. NR 41 TC 50 Z9 50 U1 6 U2 37 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 19 BP 1517 EP 1534 DI 10.1080/14786430903019099 PG 18 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 478RO UT WOS:000268606100001 ER PT J AU Lashley, J Riseborough, P Rosengren, A Alexander, DJ Hackenberg, RE AF Lashley, Jason Riseborough, Peter Rosengren, Anders Alexander, D. J. Hackenberg, R. E. TI A tribute to James L. Smith Foreword SO PHILOSOPHICAL MAGAZINE LA English DT Biographical-Item C1 [Lashley, Jason] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Riseborough, Peter] Temple Univ, Philadelphia, PA 19122 USA. [Rosengren, Anders] AlbaNova Univ Ctr, KTH Royal Inst Technol, Dept Theoret Phys, Stockholm, Sweden. [Alexander, D. J.; Hackenberg, R. E.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Lashley, J (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. OI Hackenberg, Robert/0000-0002-0380-5723 NR 1 TC 0 Z9 0 U1 0 U2 1 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 22-24 BP 1751 EP 1756 DI 10.1080/14786430903079788 PG 6 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 478RU UT WOS:000268606800001 ER PT J AU Lawson, AC AF Lawson, A. C. TI Physics of the Lindemann melting rule SO PHILOSOPHICAL MAGAZINE LA English DT Article DE melting; melting point; fusion; correlation entropy; liquid state; thermodynamics; Lindemann rule ID ELEMENTS; TRANSFORMATION; VIBRATIONS AB We investigate the thermodynamics of melting for 74 distinct chemical elements including several actinides and rare earths. We find that the observed melting points are consistent with a linear relationship between the correlation entropy of the liquid and the Gruneisen constant of the solid, and that the Lindemann rule is well obeyed for the elements with simple structures and less well obeyed for the less symmetric more open structures. No special assumptions are required to explain the melting points of the rare earths or light actinides. C1 Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Lawson, AC (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. EM aclawson@vla.com FU US Department of Energy FX We thank Dr. Gerry Lander for a careful reading of the manuscript and Dr. Jason Lashley for help with one of the references. This work was supported in part by the Los Alamos National Laboratory under the auspices of the US Department of Energy. NR 32 TC 12 Z9 12 U1 0 U2 7 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 22-24 BP 1757 EP 1770 DI 10.1080/14786430802577916 PG 14 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 478RU UT WOS:000268606800002 ER PT J AU Groger, R Lookman, T Saxena, A AF Groger, R. Lookman, T. Saxena, A. TI Atomistic studies of transformation pathways and energetics in plutonium SO PHILOSOPHICAL MAGAZINE LA English DT Article DE plutonium; phase transformation; intermediate phase; modified embedded atom method ID BILBAO CRYSTALLOGRAPHIC SERVER; DELTA-PLUTONIUM; INTERATOMIC POTENTIALS; CRYSTAL STRUCTURE; METALS; PHYSICS; PU; ELECTRONS; GALLIUM; VALENCE AB One of the most challenging problems in understanding the structural phase transformations in Pu is to determine the energetically favoured, continuous atomic pathways from one crystal symmetry to another. This problem involves enumerating candidate pathways and studying their energetics to garner insight into instabilities and energy barriers. The purpose of this work is to investigate the energetics of two transformation pathways for the delta ->alpha' transformation in Pu that were recently proposed on the basis of symmetry. These pathways require the presence of either an intermediate hexagonal closed-packed (hcp) structure or a simple hexagonal (sh) structure. A subgroup of the parent fcc and the intermediate hexagonal structure, which has trigonal symmetry, facilitates the transformation to the intermediate hcp or sh structure. Phonons then break the translational symmetry from the intermediate hcp or sh structure to the final monoclinic symmetry of the alpha' structure. We perform simulations using the modified embedded atom method (MEAM) for Pu to investigate these candidate pathways. Our main conclusion is that the path via hcp is energetically favoured and the volume change for both pathways essentially occurs in the second step of the transformation, i.e. from the intermediate sh or hcp to the monoclinic structure. Our work also highlights the deficiency of the current state-of-the-art MEAM potential in capturing the anisotropy associated with the lower symmetry monoclinic structure. C1 [Groger, R.; Lookman, T.; Saxena, A.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Groger, R (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM groger@lanl.gov RI Groger, Roman/G-3608-2010; OI Lookman, Turab/0000-0001-8122-5671 FU LDRD FX We are grateful to Jim Smith for his inspiration and interest in our work on actinides and phase transformations. The authors acknowledge many discussions on the topic with Mike Baskes, Jason Lashley, Steve Valone, Chris Taylor, Terry Mitchell and Siegfried Hecker. This work has been supported by the LDRD NR 33 TC 4 Z9 4 U1 1 U2 6 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 22-24 BP 1779 EP 1792 DI 10.1080/14786430802665885 PG 14 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 478RU UT WOS:000268606800004 ER PT J AU Chantis, AN Albers, RC Svane, A Christensen, NE AF Chantis, A. N. Albers, R. C. Svane, A. Christensen, N. E. TI GW correlation effects on plutonium quasiparticle energies: Changes in crystal-field splitting SO PHILOSOPHICAL MAGAZINE LA English DT Article DE plutonium; electron correlations; GW approximation; first-principles electronic structure AB We present results for the electronic structure of plutonium by using a recently developed quasiparticle self-consistent GW method (QSGW). We consider a paramagnetic solution without spin-orbit interaction as a function of volume for the face-centred cubic (fcc) unit cell. We span unit-cell volumes ranging from 10% greater than the equilibrium volume of the delta phase to 90% of the equivalent for the alpha phase of Pu. The self-consistent GW quasiparticle energies are compared to those obtained within the Local Density Approximation (LDA). The goal of the calculations is to understand systematic trends in the effects of electronic correlations on the quasiparticle energy bands of Pu as a function of the localisation of the f orbitals. We show that correlation effects narrow the f bands in two significantly different ways. Besides the expected narrowing of individual f bands (flatter dispersion), we find that an even more significant effect on the f bands is a decrease in the crystal-field splitting of the different bands. C1 [Chantis, A. N.; Albers, R. C.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Svane, A.; Christensen, N. E.] Univ Aarhus, Dept Phys & Astron, DK-8000 Aarhus C, Denmark. RP Chantis, AN (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM achantis@lanl.gov OI Chantis, Athanasios/0000-0001-7933-0579 FU US Department of Energy [DE-AC52-06NA25396] FX This work was carried out under the auspices of the National Nuclear Security Administration of the US Department of Energy at Los Alamos National Laboratory under Contract No. DE-AC52-06NA25396. ANC would like to thank Mark van Schilfgaarde and Takao Kotani for informative discussions. NR 13 TC 6 Z9 6 U1 0 U2 3 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 22-24 BP 1801 EP 1811 DI 10.1080/14786430902720960 PG 11 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 478RU UT WOS:000268606800006 ER PT J AU Chen, SP AF Chen, S. P. TI Correlation-induced anomalies and extreme sensitivity in fcc Pu SO PHILOSOPHICAL MAGAZINE LA English DT Article DE plutonium; density functional theory; correlation; Hubbard parameter; bulk modulus; pressure derivative; localization; itinerancy ID BRILLOUIN-ZONE INTEGRATIONS; AUGMENTED-WAVE METHOD; DELTA-PLUTONIUM; ELECTRONIC CONFIGURATION; MAGNETIC-MOMENT; PERIODIC-TABLE; TRANSITION; PRESSURES; SURFACES; SPECTRA AB GGA+U density functional theory was used to study the effects of correlation on the properties of fcc Pu. The structural and elastic properties of fcc Pu are found to be highly sensitive to the Hubbard U parameter. Within an interval of 0.1 eV of the U parameter, the equilibrium lattice constants of fcc Pu can change from 0.44 to 0.47 nm. Whereas the bulk modulus can drop by a factor of 5-10, the pressure derivative, dB/dp, of the bulk modulus can rise dramatically from 5 to 16 and then drop discontinuously to a negative value before recovering to a more normal value. These observations are partially supported by existing experiments and the prediction of a negative dB/dp needs to be tested in future experiments. The 5f electron occupancy number also shows a drastic change near the transition range that clearly separates the delocalized and localized electron regions. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Chen, SP (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM sc@lanl.gov FU DOE FX The author would like to thank Jim L. Smith for his insights and many helpful discussions for all these years and J. X. Zhu and Steve Valone for their careful reading of the manuscript. The author also thanks DOE for supporting this work. NR 42 TC 7 Z9 7 U1 1 U2 2 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 22-24 BP 1813 EP 1822 DI 10.1080/14786430902791755 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 478RU UT WOS:000268606800007 ER PT J AU Chapline, G AF Chapline, G. TI Quantum criticality and the alpha/delta puzzle SO PHILOSOPHICAL MAGAZINE LA English DT Article DE actinides; spin-orbit; high Tc ID SPIN; PLUTONIUM; SUPERCONDUCTIVITY; METALS AB In an overview of the elemental actinides, Np and Pu stand out due to their anomalously low melting temperatures and the variety of complex phase transitions that occur in these elements and their alloys as a result of relatively modest changes in temperature and pressure. In this paper, we suggest a novel explanation based on an analogy between the evolution of the actinide ground state as a function of spin-orbit coupling and the behaviour of thin film superconductors in a magnetic field. The key point is that, in metals with a low carrier density, spin-orbit interactions give rise to low energy monopole-like solitons with quantised spin currents, which play much the same role as Abrikosov vortices in thin film superconductors. In Np and alpha-Pu, these solitons form an ordered solid, while, in impurity stabilised delta-Pu, they form a pair condensate. This provides a simple explanation for the heretofore unexplained phenomenology of alpha-delta transition. Near room temperature delta-Pu represents a novel form of condensed matter: a 'Planckian metal' analogous to the quark-gluon plasma. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Chapline, G (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM chapline1@llnl.gov FU US Department of Energy [DE-AC52-07NA27344] FX The author is very grateful for conversations with M. Fluss, S. Hecker, J. Lashley, S. McCall, K. Moore, P. Soderlind and J. Zaanen. This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 22 TC 0 Z9 0 U1 1 U2 3 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 22-24 BP 1831 EP 1838 DI 10.1080/14786430802695536 PG 8 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 478RU UT WOS:000268606800009 ER PT J AU Schmiedeshoff, GM Smith, JL AF Schmiedeshoff, G. M. Smith, J. L. TI Quantum criticality and the suppression of the heavy fermion state in UBe13 by high magnetic fields SO PHILOSOPHICAL MAGAZINE LA English DT Article DE heavy fermions; resistivity; superconductivity; non-Fermi liquid; quantum critical point ID PHASE-DIAGRAM; MAGNETORESISTANCE; SUPERCONDUCTOR; METALS AB We have measured the electrical resistivity of a single crystal of UBc(13) below 1K and in high magnetic fields to 33 T. The resistivity exhibits the T-2 dependence characteristic of a Fermi liquid at low temperatures. The field dependence of the coefficient of the T-2 term in the resistivity suggests that the heavy fermion state is suppressed by high magnetic fields. We discuss these results in light of a proposed field-induced quantum critical point immersed in the novel superconducting state of this compound. C1 [Schmiedeshoff, G. M.] Occidental Coll, Dept Phys, Los Angeles, CA 90041 USA. [Smith, J. L.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Schmiedeshoff, GM (reprint author), Occidental Coll, Dept Phys, Los Angeles, CA 90041 USA. EM gms@oxy.edu FU National Science Foundation [DMR-0704406]; US DOE; NSF [DMR- 0654118]; State of Florida FX With this paper the authors celebrate two decades of collaborative work on the physics of strongly correlated electron systems and look forward to the next two decades. We are grateful to Eric Palm, Tim Murphy, and Scott Hannahs of the NHMFL in Tallahassee for their assistance. One of the authors (JLS) apologizes to the authors of [15] for failing to see the importance of their work when it was submitted to a prestigious journal late in 1985. This work was supported by the National Science Foundation under DMR-0704406. Work at Los Alamos was performed under the auspices of the US DOE. The experiment was performed at the NHMFL, which is supported by NSF Cooperative Agreement No. DMR- 0654118 and by the State of Florida. NR 18 TC 2 Z9 2 U1 2 U2 8 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 22-24 BP 1839 EP 1843 DI 10.1080/14786430902893171 PG 5 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 478RU UT WOS:000268606800010 ER PT J AU Zhou, H Lambert, SE Maple, MB Dunlap, BD AF Zhou, H. Lambert, S. E. Maple, M. B. Dunlap, B. D. TI Magnetic anisotropy and crystalline electric field effects in RRh4B4 single crystals SO PHILOSOPHICAL MAGAZINE LA English DT Article DE crystalline electric field; rare earth compound; magnetic; anisotropy; superconductivity ID SUPERCONDUCTING PROPERTIES; RERH4B4 COMPOUNDS; ERRH4B4; FERROMAGNETISM AB Research on polycrystalline RRh4B4 samples has shown that crystalline electric field (CEF) effects play an important role in these compounds. The successful synthesis of single crystal samples of RRh4B4 with R = Y, Sm, Gd, Tb, Dy, Ho, Er, Tm, and Lu has provided an opportunity to further investigate CEF effects in these materials. Magnetization and magnetic susceptibility measurements on the RRh4B4 single crystals revealed strong magnetic anisotropy, and the experimental results could be described well by CEF calculations based on the parameters derived from an analysis of experimental data for ErRh4B4 single crystals. The easy directions of magnetization of these compounds are consistent with the signs of the Stevens factor alpha J of the CEF Hamiltonian. A strong influence of magnetic anisotropy on superconductivity was also observed. C1 [Zhou, H.; Lambert, S. E.; Maple, M. B.] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. [Zhou, H.; Lambert, S. E.; Maple, M. B.] Univ Calif San Diego, Inst Pure & Appl Phys Sci, La Jolla, CA 92093 USA. [Dunlap, B. D.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Maple, MB (reprint author), Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. EM mbmaple@ucsd.edu FU U. S. Department of Energy [DE-FG0204ER46105]; National Science Foundation [0802478]; Argonne National Laboratory [DE-AC02-06CH11357] FX We thank J. W. Chen for assistance with the electrical resistance measurements. Research at UCSD is supported by the U. S. Department of Energy under Grant No. DE-FG0204ER46105 (crystal growth) and the National Science Foundation under Grant No. 0802478 (magnetic measurements). Work at Argonne National Laboratory is supported under Contract No. DE-AC02-06CH11357 by U. Chicago Argonne, LLC, Operator of Argonne National Laboratory, a U. S. Department of Energy Office of Science Laboratory. NR 16 TC 3 Z9 3 U1 1 U2 2 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 22-24 BP 1861 EP 1879 DI 10.1080/14786430903074797 PG 19 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 478RU UT WOS:000268606800012 ER PT J AU Chen, SP Hawley, M Van Stockum, PB Manoharan, HC Bauer, ED AF Chen, S. P. Hawley, M. Van Stockum, P. B. Manoharan, H. C. Bauer, E. D. TI Surface structure of cleaved (001) USb2 single crystal SO PHILOSOPHICAL MAGAZINE LA English DT Article DE USb2; surface; DFT; STM; UHV; f electrons ID SCANNING-TUNNELING-MICROSCOPY; AUGMENTED-WAVE METHOD; ELECTRONIC-STRUCTURE; URANIUM-COMPOUNDS; GROWTH; PHOTOEMISSION; TEMPERATURE; RELAXATIONS; METALS; STM AB We have achieved what we believe to be the first atomic resolution scanning tunneling microscopy (STM) images for a uranium compound USb2 taken at room temperature. The a, b, and c lattice parameters in the images confirm that the tetragonal USb2 crystals cleave on the (001) basal plane as expected. Our calculations indicate a symmetric cut between Sb planes to be the most favorable cleavage plane and U atoms to be responsible for most of the density of states measured by STM. Since the spacing between Sb atoms and between U atoms is the same, STM topography alone cannot unambiguously identify the surface atom species. C1 [Chen, S. P.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Hawley, M.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Van Stockum, P. B.; Manoharan, H. C.] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Van Stockum, P. B.; Manoharan, H. C.] Stanford Univ, Stanford Inst Mat & Energy Sci, Stanford, CA 94305 USA. [Bauer, E. D.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM USA. RP Chen, SP (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM sc@lanl.gov RI Bauer, Eric/D-7212-2011; OI Bauer, Eric/0000-0003-0017-1937 FU US DOE; NNSA [AC02-76SF00515] FX We would like to thank J. L. Smith for his insights and many wonderful discussions. We thank Laila Mattos for passing on her cleaving expertise. We also like to thank US DOE and NNSA for the support of this work at Los Alamos National Laboratory and at Stanford (SLAC contract DE-AC02-76SF00515). NR 27 TC 2 Z9 2 U1 4 U2 18 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 22-24 BP 1881 EP 1891 DI 10.1080/14786430902785336 PG 11 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 478RU UT WOS:000268606800013 ER PT J AU Yang, X Riseborough, PS Durakiewicz, T Olson, CG Joyce, JJ Bauer, ED Sarrao, JL Moore, DP Graham, KS Elgazzar, S Oppeneer, PM Guziewicz, E Butterfield, MT AF Yang, X. Riseborough, P. S. Durakiewicz, T. Olson, C. G. Joyce, J. J. Bauer, E. D. Sarrao, J. L. Moore, D. P. Graham, K. S. Elgazzar, S. Oppeneer, P. M. Guziewicz, E. Butterfield, M. T. TI Unusual quasiparticle renormalizations from angle resolved photoemission on USb2 SO PHILOSOPHICAL MAGAZINE LA English DT Article DE quasiparticles; mass enhancements; electron-phonon interaction; angle resolved photoemission; USb2 ID ELECTRON-PHONON INTERACTION; CYLINDRICAL FERMI SURFACES; SPIN FLUCTUATIONS; CRYSTAL-GROWTH; UPT3; SUPERCONDUCTIVITY; FERROMAGNETISM; DISPERSION; ACCURATE; SYSTEM AB Angle-resolved photoemission experiments have been performed on USb2, and very narrow quasiparticle peaks have been observed in a band, which local spin-density approximation (LSDA) predicts to osculate the Fermi energy. The observed band is found to be depressed by 17 meV below the Fermi energy. Furthermore, the inferred quasiparticle dispersion relation for this band exhibits a kink at an energy of about 23 meV below the Fermi energy. The kink is not found in LSDA calculations and, therefore, is attributable to a change in the quasiparticle mass renormalization by a factor of approximately 2. The existence of a kink in the quasiparticle dispersion relation of a band that does not cross the Fermi energy is unprecedented. The kink in the quasiparticle dispersion relation is attributed to the effect of the interband self-energy, involving transitions from the osculating band into a band that does cross the Fermi energy. C1 [Yang, X.; Riseborough, P. S.] Temple Univ, Dept Phys, Philadelphia, PA 19122 USA. [Durakiewicz, T.; Joyce, J. J.; Bauer, E. D.; Sarrao, J. L.; Moore, D. P.; Graham, K. S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Olson, C. G.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Elgazzar, S.; Oppeneer, P. M.] Uppsala Univ, Dept Phys & Mat Sci, S-75121 Uppsala, Sweden. [Guziewicz, E.] Polish Acad Sci, Inst Phys, Warsaw, Poland. [Butterfield, M. T.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Riseborough, PS (reprint author), Temple Univ, Dept Phys, Philadelphia, PA 19122 USA. EM prisebor@temple.edu RI Bauer, Eric/D-7212-2011; Riseborough, Peter/D-4689-2011; Guziewicz, Elzbieta/S-4910-2016; OI Guziewicz, Elzbieta/0000-0001-6158-5258; Durakiewicz, Tomasz/0000-0002-1980-1874; Moore, David/0000-0002-0645-587X; Bauer, Eric/0000-0003-0017-1937 FU US Department of Energy; NSF [DMR-0084402]; Swedish Research Council; European Commission; Polish grant [N202 140 32/3877] FX The authors would like to thank James L. Smith for his friendship, support and encouragement over the years. The work at Temple University was supported by the US Department of Energy, Office of Basic Energy Sciences. Work at LANL was performed under the auspices of the US DOE and LANL LDRD Program. The SRC is supported by the NSF under Award Np. DMR-0084402. Support from the Swedish Research Council (VR), SNIC, and European Commission (JRC-ITU) is gratefully acknowledged. EG was supported by Polish grant N202 140 32/3877. Thanks are due to K. Byczuk, A. Kaminski, J. D. Thompson, F. Ronning, T. Klimczuk, C. Batista, A. Balatsky and Y.-F. Yang for stimulating discussions. NR 36 TC 9 Z9 9 U1 1 U2 7 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 22-24 BP 1893 EP 1911 DI 10.1080/14786430802629501 PG 19 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 478RU UT WOS:000268606800014 ER PT J AU Piltch, MS Gray, PC Cooley, JC Manley, M AF Piltch, M. S. Gray, P. C. Cooley, J. C. Manley, M. TI Surface-enhanced Raman scattering in insulating materials by artificial plasmon production: Application to uranium compounds SO PHILOSOPHICAL MAGAZINE LA English DT Article DE SERS; Raman scattering; uranium hydride; plasmons ID SPECTROSCOPY; OXIDE AB The concept of surface-enhanced Raman scattering (SERS) is reviewed. The currently held position within the spectroscopic community is that the enormous SERS enhancement effect, sometimes as much as fourteen orders of magnitude, can be partially related to surface roughness but mostly to surface plasmons (polaritons). The plasmon states are absent in electrical insulators, thus precluding the applicability of the powerful SERS technique in analysing the surface conditions of these materials. This communication describes a technique for extending the SERS process to materials that have little or no intrinsic electrical conductivity. C1 [Piltch, M. S.; Gray, P. C.; Cooley, J. C.; Manley, M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Piltch, MS (reprint author), Los Alamos Natl Lab, Box 1663,MS G770, Los Alamos, NM 87545 USA. EM piltch@lanl.gov RI Cooley, Jason/E-4163-2013 FU United States Department of Energy [DE-AC52-06NA25396] FX We would like to thank Dr. Robert Hanrahan of the United States Department of Energy, Dr. Louis Powell of Y-12, National Security Complex and Dr. Wigbert Siekhaus of Lawrence Livermore National Laboratory, as well as Drs. James L. Smith and Chris Taylor of LANL for discussions and insight. Los Alamos National Laboratory is operated for the United States Department of Energy by LANS LLC under NNSA contract No. DE-AC52-06NA25396. NR 14 TC 2 Z9 2 U1 0 U2 11 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 22-24 BP 1947 EP 1951 DI 10.1080/14786430802629519 PG 5 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 478RU UT WOS:000268606800018 ER PT J AU Mihaila, B Cardenas, A AF Mihaila, B. Cardenas, A. TI Coupled-cluster theory of a gas of strongly-interacting fermions in the dilute limit SO PHILOSOPHICAL MAGAZINE LA English DT Article DE dilute fermion systems; electron gas; equation of state; unitarity limit ID MOLECULES; ATOMS AB We study the ground-state properties of a dilute gas of strongly-interacting fermions in the framework of the coupled-cluster expansion (CCE). We demonstrate that properties such as universality, opening of a gap in the excitation spectrum and applicability of s-wave approximations appear naturally in the CCE approach. In the zero-density limit, we show that the ground-state energy density depends on only one parameter, which in turn may depend at most on the spatial dimensionality of the system. C1 [Mihaila, B.; Cardenas, A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Cardenas, A.] Cal Poly Pomona, Dept Math, Pomona, CA 91768 USA. RP Mihaila, B (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM bmihaila@lanl.gov RI Mihaila, Bogdan/D-8795-2013 OI Mihaila, Bogdan/0000-0002-1489-8814 FU US Department of Energy; Los Alamos National Laboratory FX This work was supported by the Los Alamos National Laboratory under the auspices of the US Department of Energy, under the LDRD program at Los Alamos National Laboratory. The authors gratefully acknowledge useful conversations with P. B. Littlewood, J. L. Smith, J. F. Dawson and J. H. Heisenberg. NR 27 TC 1 Z9 1 U1 0 U2 1 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 22-24 BP 1975 EP 1987 DI 10.1080/14786430802676437 PG 13 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 478RU UT WOS:000268606800020 ER PT J AU Yang, XD Riseborough, PS Modic, KA Fisher, RA Opeil, CP Finlayson, TR Cooley, JC Smith, JL Goddard, PA Silhanek, AV Lashley, JC AF Yang, X. -D. Riseborough, P. S. Modic, K. A. Fisher, R. A. Opeil, C. P. Finlayson, T. R. Cooley, J. C. Smith, J. L. Goddard, P. A. Silhanek, A. V. Lashley, J. C. TI Influence of magnetic fields on structural martensitic transitions SO PHILOSOPHICAL MAGAZINE LA English DT Article DE martensitic transition; shape-memory alloy; Fermi surface; dielectric function; phonon softening ID PHASE-TRANSFORMATION; V3SI; ALLOYS; METALS; TEMPERATURE AB We show evidence that a structural martensitic transition is related to significant changes in the electronic structure, as revealed in thermodynamic measurements made in high magnetic fields. The effect of the magnetic field is considered unusual as many influential investigations of martensitic transitions have emphasized that the structural transitions are primarily lattice dynamical and are driven by the entropy due to the phonons. We provide a theoretical framework, which can be used to describe the effect of the magnetic field on the lattice dynamics in which the field dependence originates from the dielectric constant. C1 [Modic, K. A.; Fisher, R. A.; Cooley, J. C.; Smith, J. L.; Lashley, J. C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Yang, X. -D.; Riseborough, P. S.] Temple Univ, Dept Phys, Philadelphia, PA 19122 USA. [Opeil, C. P.] Boston Coll, Dept Phys, Chestnut Hill, MA 02467 USA. [Finlayson, T. R.] Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia. [Goddard, P. A.] Univ Oxford, Clarendon Lab, Oxford OX1 3PU, England. [Silhanek, A. V.] INPAC, B-3001 Heverlee, Belgium. RP Lashley, JC (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM j.lash@lanl.gov RI Riseborough, Peter/D-4689-2011; Cooley, Jason/E-4163-2013; Goddard, Paul/A-8638-2015 OI Goddard, Paul/0000-0002-0666-5236 FU US Department of Energy [DEFG02-01ER45872]; Norwegian University FX One of the authors (PSR) acknowledges support from the Office Basic Energy Sciences, US Department of Energy through grant No. DEFG02-01ER45872. PSR would also like to thank the Norwegian University of Science and Technology for the award of the Lars Onsager Professorship and their hospitality during the time this work was being performed. JCL thanks Peter Entel for insightful discussions. As we consider our friend and colleague J. L. Smith, we acknowledge that we have all benefited from his excellent scientific intuition, generous spirit, and unceasing grammatical editing. NR 29 TC 1 Z9 1 U1 0 U2 5 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 22-24 BP 2083 EP 2091 DI 10.1080/14786430902865518 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 478RU UT WOS:000268606800026 ER PT J AU Fisk, Z Ott, HR Thompson, JD AF Fisk, Z. Ott, H. -R. Thompson, J. D. TI Superconducting materials: What the record tells us SO PHILOSOPHICAL MAGAZINE LA English DT Article ID PRESSURE; V3SI AB We argue that the materials which appear to maximize the superconducting transition temperature can be regarded as living at the interface between chemistry and physics. C1 [Fisk, Z.] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Ott, H. -R.] ETH Honggerberg, D Phys, CH-8093 Zurich, Switzerland. [Thompson, J. D.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Fisk, Z (reprint author), Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. EM hutzpah@gmail.com FU US DOE/Office of Science [NSF-DMR-0710492] FX ZF thanks V. Zlatic and R. B. Laughlin for discussions on this topic and NSF-DMR-0710492 for support. Work at Los Alamos was performed under the auspices of the US DOE/ Office of Science. NR 8 TC 2 Z9 2 U1 1 U2 6 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 22-24 BP 2111 EP 2115 DI 10.1080/14786430902724962 PG 5 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 478RU UT WOS:000268606800028 ER PT J AU Ramos, KJ Hooks, DE Bahr, DF AF Ramos, Kyle J. Hooks, Daniel E. Bahr, David F. TI Direct observation of plasticity and quantitative hardness measurements in single crystal cyclotrimethylene trinitramine by nanoindentation SO PHILOSOPHICAL MAGAZINE LA English DT Article DE RDX; molecular crystal; explosive; deformation mechanism; hardness; nanoindentation ID INDEPENDENT SLIP SYSTEMS; ENERGETIC MATERIALS; PENTAERYTHRITOL TETRANITRATE; INDENTATION EXPERIMENTS; DISLOCATION NUCLEATION; RDX; GROWTH; DEFORMATION; ANISOTROPY; METALS AB Investigation of deformation beginning with elasticity and continuing through the elastic-plastic transition to incipient cracking has been conducted for (210), (021) and (001) oriented single crystals of the explosive cyclotrimethylene trinitramine, commonly known as "RDX''. Nanoindentation was performed with a conical tip over a range of loads. The resulting load-depth data exhibited distinct, reproducible, orientation-dependent load excursions demonstrating elastic-plastic transitions. Indent impressions were imaged by atomic force microscopy revealing deformation features consistent with slip on six planes. Impressions on the (210) and (001) planes showed deformation pile-up features associated with the zone axes of slip planes. Slip traces were evident on the (210) plane indicating slip on four planes and suggesting cross-slip. Height data, for impressions formed by progressively increasing loads, indicated one additional slip system consistent with (010) slip. All of the orientations exhibited cracking thresholds at very low loads. The reduced elastic moduli were anisotropic and the hardness values were isotropic indicating limited plasticity. Maximum shear stresses estimated from a Hertzian model, at load excursions, were within 1/15 to 1/10 of published shear moduli, indicating deformation initiated near the theoretical yield strength, presumably by homogeneous nucleation of dislocations. The material strength parameters and deformation pathways inferred from this work are compared to previous microhardness investigations in which the ambiguity of results can be attributed to the effects of cracking and simultaneous slip on multiple systems. A mechanistic explanation for the hindered plasticity, and cracking, observed for RDX is offered in terms of compatibility conditions. C1 [Ramos, Kyle J.; Hooks, Daniel E.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Ramos, Kyle J.; Hooks, Daniel E.; Bahr, David F.] Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA. RP Ramos, KJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM kramos@lanl.gov RI Bahr, David/A-6521-2012 OI Bahr, David/0000-0003-2893-967X FU National Nuclear Security Administration Science Campaign 2; Office of Naval Research FX This work was supported by the National Nuclear Security Administration Science Campaign 2, and the Office of Naval Research. This work was performed, in part, at the Center for Integrated Nanotechnologies, a U. S. Department of Energy, Office of Basic Energy Sciences user facility at Los Alamos National Laboratory (Contract DE-AC52-06NA25396). We are grateful to Greg Swadener, Marc Cawkwell, Tommy Sewell, and Geoff Brown for helpful conversations. NR 49 TC 49 Z9 51 U1 3 U2 21 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 27 BP 2381 EP 2402 DI 10.1080/14786430903120335 PG 22 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 507HH UT WOS:000270842300005 ER PT J AU Stradins, P Teplin, CW Branz, HM AF Stradins, Paul Teplin, Charles W. Branz, Howard M. TI Phase evolution in nanocrystalline silicon films: Hydrogen dilution and the cone kinetics model SO PHILOSOPHICAL MAGAZINE LA English DT Article DE a-Si:H; CVD; microcrystalline Si:H; nanocrystals; photovoltaics; Si ID CHEMICAL-VAPOR-DEPOSITION; MICROCRYSTALLINE SILICON; PLASMA; GROWTH; MICROSTRUCTURE; ELLIPSOMETRY; NUCLEATION AB Our cone kinetics model of heterogeneous thin film growth explains the evolution of the crystalline inclusions that form during chemical vapor deposition (CVD) growth of silicon films. Various morphologies, including isolated crystallites and conical nanocrystalline formations, form during plasma-enhanced (PE) and other CVD techniques when isotropic growth is coupled with the point nucleation of a second phase with a higher growth rate. Cone angles are determined by the relative growth rates alone. By generalizing the physics of cone formation, we create a qualitative phase diagram that predicts film morphology from two factors during deposition: the relative amorphous and crystalline growth rates and the rate of crystallite nucleation. It is well known that both of these factors are influenced by the H-dilution of the film precursor gases. Analysis of the statistics of cone geometries and densities in published experimental data on PECVD-grown nanocrystalline silicon shows that the cone angle increases monotonically with H-dilution. In the context of the cone kinetics model, this implies that increased H-dilution results in an increase of the ratio of the nanocrystalline silicon growth rate (nu(nc)) to the amorphous silicon growth rate (nu(a)). At a specific H-dilution, nu(nc)/nu(a) exceeds unity and nanocrystalline cone formation results. C1 [Stradins, Paul; Teplin, Charles W.; Branz, Howard M.] Natl Renewable Energy Lab, Natl Ctr Photovolta, Golden, CO 80401 USA. RP Teplin, CW (reprint author), Natl Renewable Energy Lab, Natl Ctr Photovolta, Golden, CO 80401 USA. EM charles_teplin@nrel.gov FU US DOE [DE-AC36-08GO28308]; DOE Solar America Initiative [DE-FC36-07GO17053] FX We gratefully acknowledge support from the US DOE under Contract DE-AC36-08GO28308, and from a United Solar Ovonic subcontract from their DOE Solar America Initiative Contract DE-FC36-07GO17053. We also acknowledge helpful discussions with Ina Martin and Chun-Sheng Jiang (NREL), Baojie Yan (United Solar), and Antonin Fejfar (Czech Academy of Sciences). The pioneering works by the late Walter Spear on both doping and filament switching in amorphous silicon have been extremely valuable and a great influence on our own research over the years. NR 18 TC 0 Z9 0 U1 0 U2 2 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 28-30 BP 2461 EP 2468 DI 10.1080/14786430902915362 PG 8 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 520TK UT WOS:000271871300005 ER PT J AU Wang, Q AF Wang, Qi TI High-efficiency hydrogenated amorphous/crystalline Si heterojunction solar cells SO PHILOSOPHICAL MAGAZINE LA English DT Article DE a-Si:H; crystalline interface; Si; solar cells ID OPEN-CIRCUIT VOLTAGE; SILICON; OPTIMIZATION; MECHANISM; EMITTER AB The heterojunction crystalline silicon (c-Si) solar cell is one of the most promising cell structures for high-performance and low-cost solar electricity generation. Efficiencies of more than 22% and the highest open-circuit voltage (0.739 V) for c-Si solar cells have been achieved by the Sanyo group with this structure. A thin intrinsic layer of hydrogenated amorphous silicon combined with doped layers effectively passivates the c-Si surface, reducing surface defects, but also allows carriers to pass through the passivating layer without significant loss. It is this feature that makes a-Si: H uniquely different than other dielectric passivation layers, such as silicon dioxide or silicon nitride. The heterojunction structure uses wider bandgap materials to contact c-Si, preventing carriers from moving onto the wrong side of the junction and then recombining. In this paper, we will review c-Si solar cells with hydrogenated amorphous silicon emitters and back contacts. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Wang, Q (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM qi_wang@nrel.gov FU US Department of Energy [DE-AC36-08-GO28308] FX The author would like to thank Tihu Wang, Richard Crandall, Howard Branz, Matt Page, Dean Levi and Scott Ward for helpful discussions. This work was supported by the US Department of Energy under Contract DE-AC36-08-GO28308. NR 42 TC 18 Z9 19 U1 5 U2 17 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 28-30 BP 2587 EP 2598 DI 10.1080/14786430902919489 PG 12 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 520TK UT WOS:000271871300015 ER PT J AU Zhu, F Hu, J Matulionis, I Deutsch, T Gaillard, N Kunrath, A Miller, E Madan, A AF Zhu, F. Hu, J. Matulionis, I. Deutsch, T. Gaillard, N. Kunrath, A. Miller, E. Madan, A. TI Amorphous silicon carbide photoelectrode for hydrogen production directly from water using sunlight SO PHILOSOPHICAL MAGAZINE LA English DT Article DE water splitting; hydrogen production; amorphous silicon carbon; solar cell ID SOLAR; CELL AB Results on the use of amorphous silicon carbide (a-SiC:H) as a photoelectrode in an integrated 'hybrid' photoelectrochemical (PEC) cell to produce hydrogen directly from water using sunlight are presented. A high quality a-SiC: H thin film with bandgap > 2.0eV was fabricated by RF-PECVD technique using a SiH(4), H(2) and CH(4) gas mixture. Incorporation of the carbon in the a-SiH film not only increased the bandgap, but also led to an increase in corrosion resistance in an electrolyte. Adding H(2) during the fabrication process led to a decrease in the density of states (DOS) in the films. Immersing the a-SiC:H(p)/a-SiC:H(i) structure in a pH 2 electrolyte showed excellent durability up to 100 h (so far tested); the photocurrent increased and the photocurrent onset shifted anodically after the 100-h durability test, which is encouraging. It was also found that a SiO(x) layer is formed on the surface of a-SiC:H when exposed to air, which led to a decrease in the photocurrent, and the photocurrent onset shifted cathodically. We have found that this effect could be removed via a hydrofluoric acid dip and the photocurrent could be increased to over 6mA/cm(2) at a potential of -1.4V (versus Ag/AgCl). To boost the photovoltage (potential) required for water splitting, the configuration of a-Si:H tandem (or 'micromorph')/a-SiC:H structure (PV/PEC) could be viable for water splitting. As a first step, we integrated amorphous silicon tandem solar cells with an a-SiC:H photoelectrode, which exhibited encouraging results. Finally, via simulation, we showed that using a-SiC:H as a photoelectrode could lead to a solar-to-hydrogen (STH) conversion efficiency > 10%. C1 [Zhu, F.; Hu, J.; Matulionis, I.; Kunrath, A.; Madan, A.] MVSystems Inc, Golden, CO 80401 USA. [Zhu, F.; Madan, A.] Colorado Sch Mines, Dept Phys, Golden, CO 80401 USA. [Gaillard, N.; Miller, E.] Univ Hawaii Manoa, HNEI, Honolulu, HI 96822 USA. [Deutsch, T.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Zhu, F (reprint author), MVSystems Inc, 500 Corp Circle,Suite L, Golden, CO 80401 USA. EM fzhu@mvsystemsinc.com RI Gaillard, Nicolas/M-3713-2016; OI Deutsch, Todd/0000-0001-6577-1226 FU US Department of Energy [DE-FC36-07GO17105] FX The authors would like to thank Ed Valentich for his assistance in sample fabrication, Leah Kuritzky for various PEC measurements, Marcus Baer and Clemens Heske from University of Nevada, Las Vegas for XPS and XES measurements. The work is supported by US Department of Energy under contract number DE-FC36-07GO17105. NR 31 TC 26 Z9 26 U1 3 U2 31 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 28-30 BP 2723 EP 2739 DI 10.1080/14786430902740729 PG 17 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 520TK UT WOS:000271871300022 ER PT J AU Barashev, AV Golubov, SI AF Barashev, A. V. Golubov, S. I. TI Unlimited damage accumulation in metallic materials under cascade-damage conditions SO PHILOSOPHICAL MAGAZINE LA English DT Review DE neutron irradiation; displacement cascades; void swelling; self-interstitial atoms ID X-RAY SCATTERING; FE-CR ALLOYS; RADIATION-INDUCED SEGREGATION; AUSTENITIC STAINLESS-STEELS; FAST-NEUTRON-IRRADIATION; SELF-INTERSTITIAL ATOMS; DISPLACEMENT CASCADES; DEFECT ACCUMULATION; COMPUTER-SIMULATION; PRODUCTION BIAS AB Most experiments on neutron or heavy-ion cascade-produced irradiation of pure metals and metallic alloys demonstrate unlimited void growth as well as development of the dislocation structure. In contrast, the theory of radiation damage predicts saturation of void size at sufficiently high irradiation doses and, accordingly, termination of accumulation of interstitial-type defects. It is shown in the present paper that, under conditions of steady production of one-dimensionally (1-D) mobile clusters of self-interstitial atoms (SIAs) in displacement cascades, any one of the following three conditions can result in indefinite damage accumulation. First, if the fraction of SIAs generated in the clustered form is smaller than some finite value of the order of the dislocation bias factor. Second, if solute, impurity or transmuted atoms form atmospheres around voids and repel the SIA clusters. Third, if spatial correlations between voids and other defects, such as second-phase precipitates or dislocations, exist that provide shadowing of voids from the SIA clusters. The driving force for the development of such correlations is the same as for void lattice formation and is argued to be always present under cascade-damage conditions. It is emphasised that the mean-free path of 1-D migrating SIA clusters is typically at least an order of magnitude longer than the average distance between microstructural defects; hence, spatial correlations on the same scale should be taken into consideration. A way of developing a predictive theory is discussed. An interpretation of the steady-state swelling rate of similar to 1%/displacement per atom (dpa) observed in austenitic steels is proposed. C1 [Barashev, A. V.] Univ Liverpool, Dept Engn, Liverpool L69 3GH, Merseyside, England. [Golubov, S. I.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Golubov, S. I.] Univ Tennessee, Ctr Mat Proc, Knoxville, TN 37996 USA. RP Barashev, AV (reprint author), Univ Liverpool, Dept Engn, Brownlow Hill, Liverpool L69 3GH, Merseyside, England. EM a.barashev@liv.ac.uk FU EURATOM 7th framework programme (2007-2011) [212175]; UK Engineering and Physical Sciences Research Council; Office of Fusion Energy Sciences US Department of Energy [DE-AC05-00OR22725] FX The authors express their gratitude to Dr. B.N. Singh (Riso National Laboratory, Denmark), Dr. H. Trinkaus (Forschungscentrum Julich, Germany), Dr. S.J. Zinkle (Oak Ridge National Laboratory, USA) and Professor D.J. Bacon (The University of Liverpool, UK) for careful reading and useful discussions of the manuscript. The research received partial funding from the EURATOM 7th framework programme (2007-2011) under grant agreement number 212175 (GetMat project) and was sponsored by a research grant from the UK Engineering and Physical Sciences Research Council and (AVB) and by the Office of Fusion Energy Sciences US Department of Energy, under contract DE-AC05-00OR22725 with UT-Battelle, LLC (SIG). NR 114 TC 14 Z9 14 U1 1 U2 13 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 1478-6435 EI 1478-6443 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 31 BP 2833 EP 2860 DI 10.1080/14786430902976786 PG 28 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 520TM UT WOS:000271871600006 ER PT J AU Schuck, PC Marian, J Adams, JB Sadigh, B AF Schuck, P. C. Marian, J. Adams, J. B. Sadigh, B. TI Vibrational properties of straight dislocations in bcc and fcc metals within the harmonic approximation SO PHILOSOPHICAL MAGAZINE LA English DT Article DE dislocations; phonons; harmonic approximation; vibrational spectra; free energy; molybdenum; aluminum; iron; copper ID THERMAL-PROPERTIES; FREE-ENERGY; TRANSITION-METALS; HEAT-CAPACITY; ENTROPY; DEFECTS; COPPER; BODY; POTENTIALS; VACANCIES AB We calculate the vibrational spectra of straight screw and edge dislocations in several body-centered cubic (bcc) (Mo and Fe) and face-centered cubic (fcc) (Cu and Al) metals within the harmonic approximation. We take advantage of the translational symmetry of straight dislocations to efficiently calculate their phonon eigenstates in the harmonic limit. This allows us to calculate the low-temperature contribution of straight screw and edge dislocations to the heat capacity of each respective metal, and show that the dominant temperature dependence below 5K is linear. Comparison with heat capacity measurements of heavily cold-worked Cu reveals very good agreement with our calculations. At higher temperatures, the contribution from the non-linear terms becomes significant. As a result, maxima in the straight dislocation heat capacities are observed in the temperature range from 9% to 16% of the Debye temperature. We investigate the appearance of localized and resonance peaks in the vibrational spectra induced by dislocations, and study in detail their spatial spread around the dislocation cores by projecting vibrational eigenstates onto individual atoms. We study the deviation of these atomic-level vibrational free energies from that of the perfect crystal as a function of distance to the dislocation cores, and establish that, similar to the dislocation energy, the vibrational free energy of an isolated dislocation behaves logarithmically in the long-range limit. Finally, we obtain vibrational spectra for propagating waves along the dislocation line and find that the dispersion for these waves is consistent with the notion of kink formation and motion for screw dislocations. C1 [Marian, J.; Sadigh, B.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Schuck, P. C.; Adams, J. B.] Arizona State Univ, Tempe, AZ 85287 USA. RP Sadigh, B (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94551 USA. EM sadigh1@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; LLNL 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. PCS would like to thank the Computational Chemistry and Materials Science Summer Institute at Lawrence Livermore National Laboratory (LLNL) for giving me the opportunity to work on this project, and LLNL for funding this research. NR 33 TC 3 Z9 3 U1 2 U2 8 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 31 BP 2861 EP 2882 DI 10.1080/14786430903136646 PG 22 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 520TM UT WOS:000271871600007 ER PT J AU Rudd, RE AF Rudd, Robert E. TI Void growth in bcc metals simulated with molecular dynamics using the Finnis-Sinclair potential SO PHILOSOPHICAL MAGAZINE LA English DT Article DE void growth; molecular dynamics; Finnis-Sinclair potential; body-centred cubic; bcc; dynamic fracture; nanocrystalline tantalum ID TRANSITION-METALS; ATOMISTIC SIMULATION; SINGLE-CRYSTALS; FRACTURE; NUCLEATION; FAILURE; REPRESENTATION; COMPRESSION; MOLYBDENUM; STRENGTH AB The process of fracture in ductile metals involves the nucleation, growth, and linking of voids. This process takes place both at the low rates involved in typical engineering applications and at the high rates associated with dynamic fracture processes such as spallation. Here we study the growth of a void in a single crystal at high rates using molecular dynamics (MD) based on Finnis-Sinclair interatomic potentials for the body-centred cubic (bcc) metals V, Nb, Mo, Ta, and W. The use of the Finnis-Sinclair potential enables the study of plasticity associated with void growth at the atomic level at room temperature and strain rates from 109/s down to 106/s and systems as large as 128 million atoms. The atomistic systems are observed to undergo a transition from twinning at the higher end of this range to dislocation flow at the lower end. We analyse the simulations for the specific mechanisms of plasticity associated with void growth as dislocation loops are punched out to accommodate the growing void. We also analyse the process of nucleation and growth of voids in simulations of nanocrystalline Ta expanding at different strain rates. We comment on differences in the plasticity associated with void growth in the bcc metals compared to earlier studies in face-centred cubic (fcc) metals. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Rudd, RE (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM robert.rudd@llnl.gov OI Rudd, Robert/0000-0002-6632-2681 FU Lawrence Livermore National Laboratory [AC52-07NA27344] FX It is a pleasure to thank Jim Belak, Eira Seppala, and Laurent Dupuy for useful discussions, as well as the earlier work on voids in fcc metals. The initial atomic configuration for the nanocrystalline simulations was provided by Streitz, Glosli, and Patel [47]. Computer resources were provided by Livermore Computing through a Supercomputing Grand Challenge project. This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 68 TC 38 Z9 39 U1 3 U2 27 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 1478-6435 EI 1478-6443 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 34-36 BP 3133 EP 3161 AR PII 917305306 DI 10.1080/14786430903222529 PG 29 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 528XV UT WOS:000272481200003 ER PT J AU Mendelev, MI Asta, M Rahman, MJ Hoyt, JJ AF Mendelev, M. I. Asta, M. Rahman, M. J. Hoyt, J. J. TI Development of interatomic potentials appropriate for simulation of solid-liquid interface properties in Al-Mg alloys SO PHILOSOPHICAL MAGAZINE LA English DT Article DE liquid metals; molecular dynamics simulation; phase diagram ID EMBEDDED-ATOM METHOD; FREE-ENERGY; MOLECULAR-DYNAMICS; METALS; ALUMINUM; CU; CRYSTALLIZATION; SYSTEM; PSEUDOPOTENTIALS; INTEGRATION AB Different approaches are analyzed for construction of semi-empirical potentials for binary alloys, focusing specifically on the capability of these potentials to describe solid-liquid phase equilibria, as a pre-requisite to studies of solidification phenomena. Fitting ab initio compound data does not ensure correct reproduction of the dilute solid-solution formation energy, and explicit inclusion of this quantity in the potential development procedure does not guarantee that the potential will predict the correct solid-liquid phase diagram. Therefore, we conclude that fitting only to solid phase properties, as is done in most potential development procedures, generally is not sufficient to develop a semi-empirical potential suitable for the simulation of solidification. A method is proposed for the incorporation of data for liquid solution energies in the potential development procedure, and a new semi-empirical potential developed suitable for simulations of dilute alloys of Mg in Al. The potential correctly reproduces both zero-temperature solid properties and solidus and liquid lines on the Al-rich part of the Al-Mg phase diagram. C1 [Mendelev, M. I.] Ames Lab, Ames, IA 50011 USA. [Asta, M.] Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. [Rahman, M. J.; Hoyt, J. J.] McMaster Univ, Dept Mat Sci & Engn, Hamilton, ON, Canada. RP Mendelev, MI (reprint author), Ames Lab, Ames, IA 50011 USA. EM mendelev@ameslab.gov FU Department of Energy, Office of Basic Energy Sciences [DE-AC02-07CH11358, DE-FG02-06ER46282]; Natural Sciences and Engineering Research Council (NSERC) of Canada; Department of Energy FX Work at the Ames Laboratory was supported by the Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-07CH11358. MJR and JJH were supported by a Natural Sciences and Engineering Research Council (NSERC) of Canada Discovery grant. MA acknowledges funding from the Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-FG02-06ER46282. The authors also acknowledge the Department of Energy sponsored Computational Materials Science Network program for facilitating this collaboration. NR 50 TC 35 Z9 36 U1 3 U2 23 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 34-36 BP 3269 EP 3285 AR PII 917302199 DI 10.1080/14786430903260727 PG 17 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 528XV UT WOS:000272481200010 ER PT J AU Bacon, DJ Osetsky, YN AF Bacon, D. J. Osetsky, Yu. N. TI Mechanisms of hardening due to copper precipitates in -iron SO PHILOSOPHICAL MAGAZINE LA English DT Article DE Fe-Cu alloy; copper precipitates; alpha-iron; dislocations; molecular dynamics ID STACKING-FAULT TETRAHEDRA; 111 SCREW DISLOCATION; FE-CU ALLOYS; ALPHA-IRON; COMPUTER-SIMULATION; ATOMIC-LEVEL; DISPLACEMENT CASCADES; INTERSTITIAL CLUSTERS; EDGE DISLOCATION; BODY POTENTIALS AB A comprehensive atomic-level simulation study has been made of interactions between a moving edge dislocation and copper precipitates that are initially coherent with the body-centred-cubic matrix of alpha-iron. Precipitates with diameter, D, in the range 0.7-6 nm have been considered over the temperature range 0-600 K. For some combinations of temperature and D, the critical applied resolved shear stress, c, at which the dislocation overcomes a row of precipitates with centre-to-centre spacing, L, is consistent with an elasticity treatment for strong obstacles, e.g. c is proportional to L-1 and ln(D). This has a specific atomic-level origin, for the proportionality holds when the dislocation induces a partial transformation of the copper towards the more stable face-centred-cubic phase. The driving force for the transformation increases with decreasing temperature and increasing D, and so c has a strong temperature-dependence for large D. The results of these simulations, which employ a set of interatomic potentials of Finnis-Sinclair type, are seen to correspond well with experiments carried out elsewhere. C1 [Bacon, D. J.] Univ Liverpool, Dept Engn, Liverpool L69 3GH, Merseyside, England. [Osetsky, Yu. N.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Bacon, DJ (reprint author), Univ Liverpool, Dept Engn, Liverpool L69 3GH, Merseyside, England. EM djbacon@liv.ac.uk OI Osetskiy, Yury/0000-0002-8109-0030 FU Division of Materials Sciences and Engineering; Office of Fusion Energy Sciences, US Department of Energy [DE-AC05-00OR22725]; UK Engineering and Physical Sciences Research Council [GR/R68870/01] FX This work was supported by the Division of Materials Sciences and Engineering and the Office of Fusion Energy Sciences, US Department of Energy (Y.O.), under contract DE-AC05-00OR22725 with UT-Battelle, LLC; and grant GR/R68870/01 from the UK Engineering and Physical Sciences Research Council. NR 51 TC 23 Z9 23 U1 0 U2 12 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 34-36 BP 3333 EP 3349 AR PII 917311877 DI 10.1080/14786430903271377 PG 17 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 528XV UT WOS:000272481200014 ER PT J AU Sadigh, B Erhart, P Stukowski, A Caro, A AF Sadigh, B. Erhart, P. Stukowski, A. Caro, A. TI Composition-dependent interatomic potentials: A systematic approach to modelling multicomponent alloys SO PHILOSOPHICAL MAGAZINE LA English DT Article DE empirical potentials; multicomponent alloys; concentrated alloys; computer simulations; molecular dynamics; Monte Carlo; composition dependent interatomic potentials; cluster interactions ID EMBEDDED-ATOM-METHOD; CU; SILICON; METALS; NI; IMPURITIES; ENERGIES; AU; AG AB We propose a simple scheme to construct composition-dependent interatomic potentials for multicomponent systems that, when superposed onto the potentials for the pure elements, can reproduce not only the heat of mixing of the solid solution in the entire concentration range but also the energetics of a wider range of configurations including intermetallic phases. We show that an expansion in cluster interactions provides a way to systematically increase the accuracy of the model, and that it is straightforward to generalise this procedure to multicomponent systems. Concentration-dependent interatomic potentials can be built upon almost any type of potential for the pure elements including embedded atom method (EAM), modified EAM, bond-order, and Stillinger-Weber type potentials. In general, composition-dependent N-body terms in the total energy lead to explicit (N + 1)-body forces, which potentially render them computationally expensive. We present an algorithm that overcomes this problem and that can speed up the calculation of the forces for composition-dependent pair potentials in such a way as to make them computationally comparable in efficiency and scaling behaviour to standard EAM potentials. We also discuss the implementation in Monte Carlo simulations. Finally, we exemplarily review the composition-dependent EAM model for the Fe-Cr system. C1 [Sadigh, B.; Erhart, P.; Caro, A.] Lawrence Livermore Natl Lab, Condensed Matter & Mat Div, Livermore, CA USA. [Stukowski, A.] Tech Univ Darmstadt, Inst Mat Wissensch, Darmstadt, Germany. RP Caro, A (reprint author), Lawrence Livermore Natl Lab, Condensed Matter & Mat Div, Livermore, CA USA. EM caro2@llnl.gov RI Erhart, Paul/G-6260-2011; Albe, Karsten/F-1139-2011; OI Erhart, Paul/0000-0002-2516-6061; Stukowski, Alexander/0000-0001-6750-3401 FU US DOE-NNSA [DE-AC52-07NA27344]; LDRD; Fusion Materials Program; NERSC; Deutsche Forschungsgemeinschaft [FOR 714]; German Academic Exchange Service FX Lawrence Livermore National Laboratory is operated by Lawrence Livermore National Security, LLC, for the US DOE-NNSA under Contract DE-AC52-07NA27344. Partial financial support from the LDRD office and the Fusion Materials Program as well as computer time allocations from NERSC at Lawrence Berkeley National Laboratory are gratefully acknowledged. AS received financial support from the Deutsche Forschungsgemeinschaft (FOR 714) and the German Academic Exchange Service. NR 30 TC 5 Z9 5 U1 0 U2 19 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PY 2009 VL 89 IS 34-36 BP 3371 EP 3391 AR PII 917304451 DI 10.1080/14786430903292373 PG 21 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 528XV UT WOS:000272481200016 ER PT J AU Luo, W Cohen, ML Morris, JW AF Luo, W. Cohen, M. L. Morris, J. W., Jr. TI On the possibility of cleavage in Nb SO PHILOSOPHICAL MAGAZINE LETTERS LA English DT Article DE transition metals; Nb; first-principles calculations; brittle-ductile transition; fracture; tensile; ideal strength; saddle point ID IDEAL STRENGTH; TOTAL-ENERGY; DEFORMATION; MECHANISM; METALS; IRON; BCC AB The bcc element, Nb, has the interesting and atypical property that it is predicted to fail by 111 {112} shear, rather than by {100} cleavage, when strained to its ideal strength in uniaxial tension. This suggests that pure Nb will not exhibit the classic bcc ductile-brittle transition when fractured at low temperature. The experimental data, while limited and ambiguous, seems to support this view. However, for inherent immunity to cleavage fracture at low temperature the shear failure mode must be preserved in the triaxial stress field at the crack tip. First-principles calculations of the ideal strength of Nb under combined uniaxial and hydrostatic tension show that the inherent shear failure mode is preserved over the range of stresses that pertain at the crack tip, while the ideal strength increases in the presence of hydrostatic tension. It is also shown that the ideal strength of Nb decreases under hydrostatic compression, which helps to explain recent observations of the behavior of Nb-rich Ti alloys in nanoindentation. C1 [Luo, W.; Cohen, M. L.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Luo, W.; Cohen, M. L.; Morris, J. W., Jr.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Luo, W.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Morris, J. W., Jr.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Luo, W (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM wdluo@civet.berkeley.edu RI Luo, Weidong/A-8418-2009 OI Luo, Weidong/0000-0003-3829-1547 FU National Science Foundation [DMR0705941, DMR0706554]; US Department of Energy [DE-AC02-05CH11231] FX This work was supported by National Science Foundation Grant No. DMR0705941 (WL and MLC) and DMR0706554 (JWM), and by the Director, Office of Science, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, US Department of Energy under Contract No. DE-AC02-05CH11231. Computational resources have been provided by NSF through TeraGrid resources at NCSA. NR 23 TC 1 Z9 1 U1 0 U2 6 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. PY 2009 VL 89 IS 1 BP 23 EP 32 AR PII 908152934 DI 10.1080/09500830802585097 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 398GO UT WOS:000262720800004 ER PT J AU Mizoguchi, T Dahmen, U AF Mizoguchi, T. Dahmen, U. TI 3D shape and orientation of nanoscale Pb inclusions at grain boundaries in Al observed by TEM and STEM tomography SO PHILOSOPHICAL MAGAZINE LETTERS LA English DT Article DE grain boundary; nanoscale inclusion; TEM; tomography; Al-Pb alloy ID NANOSIZED LEAD INCLUSIONS; ELECTRON-MICROSCOPY; NANOCRYSTALS; HYSTERESIS; MORPHOLOGY; PARTICLES; MATRIX AB We have combined high-angle annular dark field/scanning transmission electron microscopy (HAADF-STEM) tomography with bright field (BF)-TEM tomography to characterize small inclusions of Pb at a grain boundary in Al. It was found that the shape of the grain boundary inclusions is more complex than previously thought. By using moire fringes observed at some orientations of the specimen in a BF-TEM tomographic tilt series, we were able to determine the orientation of each grain, the axis and angle of misorientation of the grain boundary, and the facet planes of the grain boundary inclusions. The 3D shape of the inclusions was determined by merging this information with the HAADF-STEM tomography. C1 [Mizoguchi, T.; Dahmen, U.] Univ Calif Berkeley, Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [Mizoguchi, T.] Univ Tokyo, Inst Engn Innovat, Bunkyo Ku, Tokyo, Japan. RP Mizoguchi, T (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. EM mizoguchi@sigma.t.u-tokyo.ac.jp RI Mizoguchi, Teruyasu/B-8044-2008 OI Mizoguchi, Teruyasu/0000-0003-3712-7307 FU Japan Society for the Promotion of Science (JSPS); Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division of the U. S. Department of Energy [DE-AC02-05CH1123]; Ministry of Education, Sports, and Culture of Japan [20760449] FX We thank N. D. Browning at UC-Davis, and M. B. Braunfeld and D. A. Agard at UC-San Francisco for helpful discussions and P. Ochin of the CNRS in Vitry for providing the melt-spun alloy. T. M. was supported as a Japan Society for the Promotion of Science (JSPS) research fellow, and acknowledges the assistance of the staff and the use of the facilities at NCEM, which is 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-AC02-05CH1123. This study was partially supported by a Grant-in-Aid for Scientific Research in Priority Area "Nano Materials Science for Atomic Scale Modification 474'' and Young Scientists (B) 20760449, from the Ministry of Education, Sports, and Culture of Japan. NR 15 TC 5 Z9 5 U1 0 U2 12 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. PY 2009 VL 89 IS 2 BP 104 EP 112 AR PII 907826639 DI 10.1080/09500830802649760 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 408OV UT WOS:000263445200004 ER PT J AU Ren, F Case, ED Hall, BD Ni, JE Timm, EJ Wu, CI D'Angelo, JJ Hogan, TP Lara-Curzio, E AF Ren, F. Case, E. D. Hall, B. D. Ni, J. E. Timm, E. J. Wu, C. -I. D'Angelo, J. J. Hogan, T. P. Lara-Curzio, E. TI Room-temperature mechanical properties of LAST (Pb-Sb-Ag-Te) thermoelectric materials as a function of cooling rate during ingot casting SO PHILOSOPHICAL MAGAZINE LETTERS LA English DT Article DE thermoelectric materials; casting; indentation; elasticity; hardness; fracture strength ID MICROSTRUCTURE AB In this study, we focus on the room-temperature mechanical properties of LAST (Pb-Sb-Ag-Te) materials fabricated using casting with slow-cool temperature profiles (cooling rate 5C h-1) including biaxial flexural strength, indentation hardness, Young's modulus, and dynamic elastic moduli. The slow-cooled specimens exhibited values of Young's modulus and hardness that are comparable to those of previously reported fast-cooled LAST materials (cooling rate 5C h-1). The higher biaxial flexural strength is potentially beneficial for the mechanical integrity of thermoelectric devices. C1 [Ren, F.; Case, E. D.; Hall, B. D.; Ni, J. E.] Michigan State Univ, Dept Chem Engn & Mat Sci, E Lansing, MI 48824 USA. [Timm, E. J.] Michigan State Univ, Dept Mech Engn, E Lansing, MI 48824 USA. [Wu, C. -I.; D'Angelo, J. J.; Hogan, T. P.] Michigan State Univ, Dept Elect & Comp Engn, E Lansing, MI 48824 USA. [Lara-Curzio, E.] Oak Ridge Natl Lab, High Temp Mat Lab, Oak Ridge, TN 37831 USA. RP Ren, F (reprint author), Michigan State Univ, Dept Chem Engn & Mat Sci, E Lansing, MI 48824 USA. EM renfei@msu.edu RI Ren, Fei/E-7706-2011 FU Office of Naval Research MURI [N000140310789]; US Department of Energy [DE-FC26-04NT42281, DE-AC05-00OR22725]; Assistant Secretary for Energy Efficiency and Renewable Energy; Office of Freedom CAR and Vehicle Technologies; High Temperature Materials Laboratory User Program; Oak Ridge National Laboratory FX The authors acknowledge the financial assistance of the Office of Naval Research MURI Grant number N000140310789 and the US Department of Energy Grant DE-FC26-04NT42281. The research work at the High Temperature Materials Laboratory was sponsored by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Freedom CAR and Vehicle Technologies, as part of the High Temperature Materials Laboratory User Program, Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the US Department of Energy under contract number DE-AC05-00OR22725. NR 15 TC 4 Z9 4 U1 0 U2 8 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. PY 2009 VL 89 IS 4 BP 267 EP 275 AR PII 909685712 DI 10.1080/09500830902817853 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 435DF UT WOS:000265323200005 ER PT S AU Watts, MR Trotter, DC Young, RW Lentine, AL Zortman, WA AF Watts, Michael R. Trotter, Douglas C. Young, Ralph W. Lentine, Anthony L. Zortman, William A. BE Glebov, AL Chen, RT TI Limits to Silicon Modulator Bandwidth and Power Consumption SO PHOTONICS PACKAGING, INTEGRATION, AND INTERCONNECTS IX SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Photonics Packaging, Integration, and Interconnects IX CY JAN 26-28, 2009 CL San Jose, CA SP SPIE DE Waveguide; integrated optics devices; resonators; modulators AB The limits to silicon modulator bandwidth and power consumption are explored. Traditional electrical interconnects provide insufficient bandwidth (similar to 10Gb/s) and consume far too much power (similar to 10pJ/bit) for future high performance computing applications. Microphotonic devices closely integrated with advanced CMOS electronics have the potential to dramatically lower intra-and inter-chip communication power consumption while greatly increasing available bandwidth. Our recent results confirm the significant advantages offered by microphotonic communication links. We have broken the 100fJ/bit barrier by demonstrating 4-micron diameter microdisk modulators achieving 10Gb/s data transmission with a bit-error-rate below 10(-12) and a measured power consumption of only 85fJ/bit. Through rigorous simulation and experimentation, we consider ultimate limits to silicon modulator bandwidth and power consumption. C1 [Watts, Michael R.; Trotter, Douglas C.; Young, Ralph W.; Lentine, Anthony L.; Zortman, William A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Watts, MR (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM mwatts@sandia.gov NR 9 TC 0 Z9 0 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7467-4 J9 PROC SPIE PY 2009 VL 7221 AR 72210M DI 10.1117/12.810145 PG 8 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Optics SC Engineering; Science & Technology - Other Topics; Optics GA BST60 UT WOS:000285747700019 ER PT S AU Sopori, B Mehta, V Rupnowski, P Moutinho, H Shaikh, A Khadilkar, C Bennett, M Carlson, D AF Sopori, Bhushan Mehta, Vishal Rupnowski, Przemyslaw Moutinho, Helio Shaikh, Aziz Khadilkar, Chandra Bennett, Murray Carlson, Dave BE Sopori, B Yang, J Surek, T Dimmler, B TI Studies on Backside Al-Contact Formation in Si Solar Cells: Fundamental Mechanisms SO PHOTOVOLTAIC MATERIALS AND MANUFACTURING ISSUES SE Materials Research Society Symposium Proceedings LA English DT Proceedings Paper CT Symposium on Photovoltaic Materials and Manufacturing Issues held at the 2008 Fall MRS Meeting CY DEC 02-04, 2008 CL Boston, MA SP Mat Res Soc AB We have studied mechanisms of back-contact formation in screen-printed Si solar cells by a fire-through process. An optimum firing temperature profile leads to the formation of a P-Si/P(+)-Si/Si-Al eutectic/agglomerated Al at the back contact of a Si solar cell. Variations in the interface properties were found to arise from Al-Si melt instabilities. Experiments were performed to study melt formation. We show that this process is strongly controlled by diffusion of Si into Al. During the ramp-up, a melt is initiated at the Si-Al interface, which subsequently expands into Al and Si. During the ramp-down, the melt freezes, which causes the doped region to grow epitaxially on Si, followed by solidification of the Si-Al eutectic. Any agglomerated (or sintered) At particles are dispersed with Si. Implications on the performance of the cell are described. C1 [Sopori, Bhushan; Mehta, Vishal; Rupnowski, Przemyslaw; Moutinho, Helio] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Sopori, B (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. OI Rupnowski, Przemyslaw/0000-0003-0040-418X NR 10 TC 0 Z9 0 U1 0 U2 5 PU MATERIALS RESEARCH SOCIETY PI WARRENDALE PA 506 KEYSTONE DRIVE, WARRENDALE, PA 15088-7563 USA SN 0272-9172 BN 978-1-60511-095-0 J9 MATER RES SOC SYMP P PY 2009 VL 1123 BP 47 EP 52 PG 6 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA BND13 UT WOS:000274189700008 ER PT S AU Appel, J Sopori, B Ravindra, NM AF Appel, Jesse Sopori, Bhushan Ravindra, N. M. BE Sopori, B Yang, J Surek, T Dimmler, B TI Computer Simulation of Edge Effects in a Small-Area Mesa N-P Junction Diode SO PHOTOVOLTAIC MATERIALS AND MANUFACTURING ISSUES SE Materials Research Society Symposium Proceedings LA English DT Proceedings Paper CT Symposium on Photovoltaic Materials and Manufacturing Issues held at the 2008 Fall MRS Meeting CY DEC 02-04, 2008 CL Boston, MA SP Mat Res Soc AB The influence of edges on the performance of small-area solar cells is determined using a modified commercial, finite-element software package. The n(+)/p mesa device is modeled as having a sub-oxide layer on the edges, which acquires positive charges that result in development of an electric field within the device. Our computer Simulations include generation/recombination at the diode edges as well as the influence of light on the recombination characteristics of the edges. We present a description of our model, dark and illuminated characteristics of devices with various surface charge concentrations, and the dynamics of carrier generation/recombination. The influence of edge geometry on diode performance is determined. C1 [Appel, Jesse; Sopori, Bhushan] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Appel, J (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. NR 8 TC 0 Z9 0 U1 0 U2 1 PU MATERIALS RESEARCH SOCIETY PI WARRENDALE PA 506 KEYSTONE DRIVE, WARRENDALE, PA 15088-7563 USA SN 0272-9172 BN 978-1-60511-095-0 J9 MATER RES SOC SYMP P PY 2009 VL 1123 BP 125 EP 130 PG 6 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA BND13 UT WOS:000274189700019 ER PT S AU Sopori, B Rupnowski, P Appel, J Guhabiswas, D Anderson-Jackson, L AF Sopori, Bhushan Rupnowski, Przemyslaw Appel, Jesse Guhabiswas, Debraj Anderson-Jackson, LaTecia BE Sopori, B Yang, J Surek, T Dimmler, B TI Light-Induced Passivation of Si by Iodine Ethanol Solution SO PHOTOVOLTAIC MATERIALS AND MANUFACTURING ISSUES SE Materials Research Society Symposium Proceedings LA English DT Proceedings Paper CT Symposium on Photovoltaic Materials and Manufacturing Issues held at the 2008 Fall MRS Meeting CY DEC 02-04, 2008 CL Boston, MA SP Mat Res Soc ID CARRIER LIFETIME; SILICON; SURFACE AB We report on our observations of light-activated passivation (LIP) of Si surfaces by iodine-ethanol (I-E) solution. Based on our experimental results, the mechanism of passivation appears to be related to dissociation of iodine by the photo-carriers injected from the Si wafer into the I-E solution. The ionized iodine (I(-)) then participates in the formation of a Si-ethoxylate bond that passivates the Si surface. Experiments with a large number of wafers of different material parameters indicate that under normal laboratory conditions, LIP can be observed only in some samples-samples that have moderate minority-carrier lifetime. We explain this observation and also show that wafer cleaning plays an extremely important role in passivation. C1 [Sopori, Bhushan; Rupnowski, Przemyslaw; Appel, Jesse; Guhabiswas, Debraj] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Sopori, B (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. OI Rupnowski, Przemyslaw/0000-0003-0040-418X NR 13 TC 0 Z9 0 U1 0 U2 2 PU MATERIALS RESEARCH SOCIETY PI WARRENDALE PA 506 KEYSTONE DRIVE, WARRENDALE, PA 15088-7563 USA SN 0272-9172 BN 978-1-60511-095-0 J9 MATER RES SOC SYMP P PY 2009 VL 1123 BP 137 EP 144 PG 8 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA BND13 UT WOS:000274189700021 ER PT J AU Jakobsen, B Poulsen, HF Lienert, U Bernier, J Gundlach, C Pantleon, W AF Jakobsen, Bo Poulsen, Henning Friis Lienert, Ulrich Bernier, Joel Gundlach, Carsten Pantleon, Wolfgang TI Stability of dislocation structures in copper towards stress relaxation investigated by high angular resolution 3D X-ray diffraction SO PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE LA English DT Article ID DEFORMATION STRUCTURES; ELECTRON-MICROSCOPE; DEFORMED COPPER; SINGLE-CRYSTALS; TEMPERATURES; POLYCRYSTALS; ARRANGEMENT; BOUNDARIES; SUBGRAINS; POWDERS AB A 300 mu m thick tensile specimen of OFHC copper is subjected to a tensile loading sequence and deformed to a maximal strain of 3.11%. Using the novel three-dimensional X-ray diffraction method 'High angular resolution 3DXRD', the evolution of the microstructure within a deeply embedded grain is characterised in-situ by the behaviour of individual subgrains. The loading sequence consists of three continuous deformation stages with strain rates of 1.1 x 10(-6) s(-1) and 3 x 10(-2) s(-1), in each case followed by a period of extended stress relaxation at fixed motor positions, as well as an unloading step. In contrast to the deformation stages, during each stress relaxation stage, number, size and orientation of subgrains are found to be constant, while a minor amount of clean-up of the microstructure is observed as narrowing of the radial X-ray diffraction line profile. The associated decrease in the width of the strain distribution indicates homogenization of the elastic strains present in the deformation structure. During reloading, the subgrain structure seemingly starts to develop further when the entire dislocation structure is deforming plastically. Upon unloading of the sample, the average backward strain of the subgrains increases. [GRAPHICS] Projections of reciprocal space maps obtained just before (tcp) and after (middle) stopping the traction and after half an hour of stress relaxation (bottom). No major changes in the microstructure occur, only minor adjustments are observed. (C) 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim C1 [Jakobsen, Bo; Poulsen, Henning Friis; Gundlach, Carsten; Pantleon, Wolfgang] Tech Univ Denmark, Riso Natl Lab Sustainable Energy, Mat Res Dept, Ctr Fundamental Res Met Struct Dimens 4, DK-4000 Roskilde, Denmark. [Jakobsen, Bo] Roskilde Univ Ctr, Dept Sci Syst & Models, Ctr Fundamental Res Glass & Time, DK-4000 Roskilde, Denmark. [Lienert, Ulrich; Bernier, Joel] Argonne Natl Lab, APS, Argonne, IL 60439 USA. [Bernier, Joel] Lawrence Livermore Natl Lab, Engn Technol Div, Livermore, CA 94551 USA. [Gundlach, Carsten] European Synchrotron Res Facil, F-38043 Grenoble, France. RP Pantleon, W (reprint author), Tech Univ Denmark, Riso Natl Lab Sustainable Energy, Mat Res Dept, Ctr Fundamental Res Met Struct Dimens 4, Frederiksborgvej 399, DK-4000 Roskilde, Denmark. EM wolfgang.pantleon@risoe.dk RI Gundlach, Carsten/B-9122-2008; Poulsen, Henning/A-4131-2012; Pantleon, Wolfgang/L-9657-2014; OI Gundlach, Carsten/0000-0002-2895-1882; Pantleon, Wolfgang/0000-0001-6418-6260; Jakobsen, Bo/0000-0002-4018-6431 FU Danish National Research Foundation; Danish Natural Science Research Council; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX The authors wish to thank J. Almer, A. Mashyekhi, and S. D. Shastri for help during the experiments, and P. Nielsen, P. Olesen, and L. Lorentzen for sample preparation. This work was supported by the Danish National Research Foundation and the Danish Natural Science Research Council. Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 24 TC 11 Z9 11 U1 1 U2 15 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1862-6300 J9 PHYS STATUS SOLIDI A JI Phys. Status Solidi A-Appl. Mat. PD JAN PY 2009 VL 206 IS 1 BP 21 EP 30 DI 10.1002/pssa.200824257 PG 10 WC Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 401NQ UT WOS:000262948000003 ER PT S AU Bizarri, G Moses, WW Singh, J Vasil'ev, AN Williams, RT AF Bizarri, G. Moses, W. W. Singh, J. Vasil'ev, A. N. Williams, R. T. BE Itoh, T Tanaka, K Schreiber, M TI Simple model relating recombination rates and non-proportional light yield in scintillators SO PHYSICA STATUS SOLIDI C - CURRENT TOPICS IN SOLID STATE PHYSICS, VOL 6, NO 1 SE Physica Status Solidi C-Current Topics in Solid State Physics LA English DT Proceedings Paper CT 8th International Conference on Excitonic Processes in Condensed Matter (EXCON 2008) CY JUN 22-27, 2008 CL Kyoto, JAPAN SP Kyoto Univ, Inst Integrated Cell Mat Sci, HORIBA, Mitsubishi Elect Corp, Spectra Phys KK, USHIO, Wiley VCH ID EXCITONS; CRYSTALS; NAI(TL); NAI AB We present a phenomenological approach to derive an approximate expression for the local light yield along a track as a function of the rate constants of different kinetic orders of radiative and quenching processes for excitons and electron-hole hole pairs excited by an incident gamma-ray in a scintillating crystal. For excitons, the radiative and quenching processes considered are linear and binary, and for electron-hole pairs a ternary (Auger type) quenching process is also taken into account. The local light yield (Y-L) in photons per MeV is plotted as a function of the deposited energy, -dE/dx (keV/cm) at any point x along the track length. This model formulation achieves a certain simplicity by using two coupled rate equations. We discuss the approximations that are involved. fit local light yield profiles needed for qualitative comparison with experiment. (C) 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim C1 [Bizarri, G.; Moses, W. W.; Singh, J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Bizarri, G.; Moses, W. W.; Singh, J.] Charles Darwin Univ, Sch Engn, Darwin, NT 0909, Australia. [Bizarri, G.; Moses, W. W.; Singh, J.] Charles Darwin Univ, IT, Darwin, NT 0909, Australia. [Vasil'ev, A. N.] Moscow MV Lomonosov State Univ, Inst Phys Nucl, Moscow 119991, Russia. [Williams, R. T.] Wake Forest Univ, Dept Phys, Winston Salem, NC 27109 USA. RP Singh, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM jai.singh@cdu.edu.au FU National Nuclear Security Administration; Office of Defense Nuclear Nonproliferation; Office of Nuclear Nonproliferation Research and Engineering (NA-22) of the U.S. Department of Energy [NNSA LB06-316-PD05/NN2001000] FX This work was supported by the National Nuclear Security Administration, Office of Defense Nuclear Nonproliferation, Office of Nuclear Nonproliferation Research and Engineering (NA-22) of the U.S. Department of Energy under Contract No. DE-AC03-76SF00098, grant number NNSA LB06-316-PD05/NN2001000. We gratefully acknowledge the technical assistance from Ms Francesca Morlino in preparing the manuscript. NR 14 TC 7 Z9 7 U1 0 U2 2 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PAPPELALLEE 3, W-69469 WEINHEIM, GERMANY SN 1862-6351 J9 PHYS STATUS SOLIDI C PY 2009 VL 6 IS 1 BP 97 EP + DI 10.1002/pssc.200879814 PG 2 WC Physics, Applied SC Physics GA BJB23 UT WOS:000264407000021 ER PT S AU Singh, J AF Singh, Jai BE Itoh, T Tanaka, K Schreiber, M TI Radiative emission from triplet excitations in light emitting devices SO PHYSICA STATUS SOLIDI C - CURRENT TOPICS IN SOLID STATE PHYSICS, VOL 6, NO 1 SE Physica Status Solidi C-Current Topics in Solid State Physics LA English DT Proceedings Paper CT 8th International Conference on Excitonic Processes in Condensed Matter (EXCON 2008) CY JUN 22-27, 2008 CL Kyoto, JAPAN SP Kyoto Univ, Inst Integrated Cell Mat Sci, HORIBA, Mitsubishi Elect Corp, Spectra Phys KK, USHIO, Wiley VCH ID CONJUGATED POLYMERS; ENERGY; SINGLET AB Using the recently derived time-dependent spin-orbit-photon interaction operator and first order, perturbation theory the rate of spontaneous radiative emission from triplet excitations in molecular solids and polymers is calculated within the two-level approximation. The rate depends on the square of the atomic number of the constituting atoms., The calculated rates and corresponding radiative lifetimes agree very well with the known experimental results in conjugated polymers incorporated with-platinum atoms Present results are compared with the known results obtained from the traditional theory for naphthalene and anthracene and found in better agreement with experiments. The traditional theory is briefly reviewed. (C) 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Singh, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM jai.singh@cdu.edu.au NR 15 TC 0 Z9 0 U1 1 U2 1 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PAPPELALLEE 3, W-69469 WEINHEIM, GERMANY SN 1862-6351 J9 PHYS STATUS SOLIDI C PY 2009 VL 6 IS 1 BP 101 EP 104 DI 10.1002/pssc.200879890 PG 4 WC Physics, Applied SC Physics GA BJB23 UT WOS:000264407000022 ER PT S AU Leinss, S Kampfrath, T Volkmann, KV Schmid, BA Frohlich, D Wolf, M Kaindl, RA Leitenstorfer, A Huber, R AF Leinss, S. Kampfrath, T. Volkmann, K. V. Schmid, B. A. Froehlich, D. Wolf, M. Kaindl, R. A. Leitenstorfer, A. Huber, R. BE Itoh, T Tanaka, K Schreiber, M TI THz quantum optics with dark excitons in Cu2O: from stimulated emission to nonlinear population control SO PHYSICA STATUS SOLIDI C - CURRENT TOPICS IN SOLID STATE PHYSICS, VOL 6, NO 1 SE Physica Status Solidi C-Current Topics in Solid State Physics LA English DT Proceedings Paper CT 8th International Conference on Excitonic Processes in Condensed Matter (EXCON 2008) CY JUN 22-27, 2008 CL Kyoto, JAPAN SP Kyoto Univ, Inst Integrated Cell Mat Sci, HORIBA, Mitsubishi Elect Corp, Spectra Phys KK, USHIO, Wiley VCH ID BOSE-EINSTEIN CONDENSATION; PULSES; GENERATION; WELLS; GAS; TRANSIENTS; EXCITATION; SENSORS; STATES; GAAS AB Fundamental quantum optical processes in photogenerated excitons in Cu2O are demonstrated using few-cycle terahertz pulses and field-sensitive electro-optic sampling: (i) In a dilute ensemble of 3p excitons, stimulated terahertz emission from internal transitions to the energetically lower 2s state is observed at a photon energy of 6.6 meV, with a cross section of 10(-14) cm(2). (ii) An optically dark, dense, and cold 1s-para-exciton gas is prepared by two-photon generation of electron-hole pairs and subsequent phonon cooling. Intense multi-terahertz fields of order MV/cm coherently promote 70% of the quasiparticles from the 1s to the 2p state via a partial internal Rabi oscillation. Electro-optic detection monitors the Larmor precession of the Bloch vector directly in the time domain, with femtosecond resolution. (C) 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim C1 [Leinss, S.; Leitenstorfer, A.; Huber, R.] Univ Konstanz, Fachbereich Phys, Univ Str 10, D-78464 Constance, Germany. [Volkmann, K. V.; Schmid, B. A.; Wolf, M.; Kaindl, R. A.] Free Univ Berlin, Fachbereich Phys, D-14195 Berlin, Germany. [Schmid, B. A.; Kaindl, R. A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Phys, Berkeley, CA 94720 USA. [Froehlich, D.] Univ Dortmund, Fachbereich Phys, D-44221 Dortmund, Germany. RP Huber, R (reprint author), Univ Konstanz, Fachbereich Phys, Univ Str 10, D-78464 Constance, Germany. EM rupert.huber@uni-konstanz.de FU Emmy-Noether Program of the German Research Foundation (DFG) FX We treasure the memory of Daniel S.Chemla whose visionary ideas have substantially inspired this work. Helpful discussions and an ongoing collaboration with J. Steiner, M. Kira, and S. W. Koch are thankfully acknowledged. This work has been supported in part by the Emmy-Noether Program of the German Research Foundation (DFG). NR 42 TC 0 Z9 0 U1 0 U2 2 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PAPPELALLEE 3, W-69469 WEINHEIM, GERMANY SN 1862-6351 J9 PHYS STATUS SOLIDI C PY 2009 VL 6 IS 1 BP 156 EP + DI 10.1002/pssc.200879859 PG 2 WC Physics, Applied SC Physics GA BJB23 UT WOS:000264407000036 ER PT S AU Liliental-Weber, Z Yu, KM Hawkridge, M Bedair, S Berman, AE Emara, A Khanal, DR Wu, J Domagala, J Bak-Misiuk, J AF Liliental-Weber, Z. Yu, K. M. Hawkridge, M. Bedair, S. Berman, A. E. Emara, A. Khanal, D. R. Wu, J. Domagala, J. Bak-Misiuk, J. BE Krotkus, A Valusis, G Adomavicius, R TI Structural perfection of InGaN layers and its relation to photoluminescence SO PHYSICA STATUS SOLIDI C - CURRENT TOPICS IN SOLID STATE PHYSICS, VOL 6, NO 12 SE Physica Status Solidi C-Current Topics in Solid State Physics LA English DT Proceedings Paper CT 15th International Semiconducting and Insulating Materials Conference (SIMC-XV) CY JUN 15-19, 2009 CL Vilnius Univ, Vilnius, LITHUANIA SP Semicond Phys Inst HO Vilnius Univ ID LIGHT-EMITTING-DIODES; X-RAY; EMISSION AB The relation between structural perfection and optical properties of InGaN with 10% In are discussed. Transmission Electron Microscopy, X-ray diffraction and Rutherford backscattering spectrometry measurements show that only strained layers with a thickness not exceeding 100 nm are defect free and In concentration is lower than the nominal value. Extension of layer thickness leads to layer sequestration into sublayers with different In contents and the formation of planar defects as a result of layer relaxation. In concentration in such sublayers reach and in some cases exceed the nominal concentration. A single band edge photoluminescence peak is observed only for the thinnest layer. Samples with larger film thickness showed multiple PL peaks corresponding to layers with different In content. Much higher In content would be required to explain the presence of some PL peaks, suggesting that some PL peaks originate from the defective areas of the film. This was confirmed by cathodoluminescence studies performed on the same samples used earlier for TEM studies. (C) 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim C1 [Liliental-Weber, Z.; Yu, K. M.; Hawkridge, M.; Khanal, D. R.; Wu, J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, M-S 62R203-8255, Berkeley, CA 94720 USA. [Bedair, S.; Berman, A. E.; Emara, A.; Wu, J.] N Carolina State Univ, Elect & Comp Engn Dept, Raleigh, NC 27695 USA. [Khanal, D. R.; Wu, J.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Domagala, J.; Bak-Misiuk, J.] Polish Acad Sci, Inst Phys, Al Lotnikow 32-46, PL-02668 Warsaw, Poland. RP Yu, KM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, M-S 62R203-8255, Berkeley, CA 94720 USA. EM z_liliental-weber@lbl.gov; KMYu@lbl.gov RI Liliental-Weber, Zuzanna/H-8006-2012; Yu, Kin Man/J-1399-2012; Domagala, Jaroslaw/P-1811-2016; Wu, Junqiao/G-7840-2011 OI Yu, Kin Man/0000-0003-1350-9642; Domagala, Jaroslaw/0000-0001-5515-9877; Wu, Junqiao/0000-0002-1498-0148 FU Office of Basic Energy Sciences, Division of Materials Sciences and Engineering, of the U.S. Department of Energy [DE-AC02-05CH11231]; Molecular Foundry, Lawrence Berkeley National Laboratory FX This work is 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. CL measurements were performed at the Molecular Foundry, Lawrence Berkeley National Laboratory, also supported by the same Office. The authors are thankful to D.Frank Ogletree and E. K. Wong for experimental assistance with the CL measurement setup." The use of the facility of the National Center for Electron Microscopy in LBNL, Berkeley is appreciated. NR 18 TC 10 Z9 10 U1 1 U2 6 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PAPPELALLEE 3, W-69469 WEINHEIM, GERMANY SN 1862-6351 J9 PHYS STATUS SOLIDI C PY 2009 VL 6 IS 12 BP 2626 EP + DI 10.1002/pssc.200982555 PG 2 WC Physics, Applied; Physics, Condensed Matter SC Physics GA BPO64 UT WOS:000279548000002 ER PT S AU Ager, JW Reichertz, LA Cui, Y Romanyuk, YE Kreier, D Leone, SR Yu, KM Schaff, WJ Walukiewicz, W AF Ager, Joel W., III Reichertz, Lothar A. Cui, Yi Romanyuk, Yaroslav E. Kreier, Daniel Leone, Stephen R. Yu, Kin Man Schaff, William J. Walukiewicz, Wladyslaw BE Butte, R TI Electrical properties of InGaN-Si heterojunctions SO PHYSICA STATUS SOLIDI C: CURRENT TOPICS IN SOLID STATE PHYSICS, VOL 6, SUPPL 2 SE Physica Status Solidi C-Current Topics in Solid State Physics LA English DT Proceedings Paper CT International Workshop on Nitride Semiconductors CY OCT 06-10, 2008 CL Montreux, SWITZERLAND ID MOLECULAR-BEAM EPITAXY; LIGHT-EMITTING-DIODES; ALN BUFFER LAYER; GAN; SI(111); INN; SILICON; PHOTOLUMINESCENCE; ULTRAVIOLET; SUBSTRATE AB The electrical transport properties of n-InxGa1-xN heterojunctions with Si(111) were investigated. InGaN films were grown by molecular beam epitaxy and either an AlN or Si3N4 buffer layer was used. For x in the range of 15-45%, an ohmic junction is obtained with p-type Si and a rectifying junction is formed with n-type Si. The n-InGaN/n-Si heterojunction device functions as a solar cell. The series resistance is lower and the power conversion efficiency is higher for InGaN devices grown with an AlN buffer layer. (C) 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim C1 [Ager, Joel W., III; Reichertz, Lothar A.; Cui, Yi; Romanyuk, Yaroslav E.; Kreier, Daniel; Leone, Stephen R.; Yu, Kin Man; Walukiewicz, Wladyslaw] Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. RP Ager, JW (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM JWAger@lbl.gov OI Ager, Joel/0000-0001-9334-9751; Yu, Kin Man/0000-0003-1350-9642 FU Rose Street Energy Laboratory (JWA, LAR, KMY); Office of Science, U.S. Department of Energy (YR, DK, SRL) [DE-AC02-05CH11231]; Sea Change Foundation FX Work at LBNL was supported by Rose Street Energy Laboratory (JWA, LAR, KMY) and by the Office of Science, U.S. Department of Energy under Contract No. DE-AC02-05CH11231 (YR, DK, SRL). Y. Cui acknowledges fellowship support from the Sea Change Foundation. NR 21 TC 15 Z9 15 U1 0 U2 7 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PAPPELALLEE 3, W-69469 WEINHEIM, GERMANY SN 1862-6351 J9 PHYS STATUS SOLIDI C PY 2009 VL 6 BP S413 EP S416 DI 10.1002/pssc.200880967 PN S2 PG 4 WC Optics; Physics, Applied; Physics, Condensed Matter SC Optics; Physics GA BWQ45 UT WOS:000294494400031 ER PT S AU Chen, CH Yu, KM Walukiewicz, W AF Chen, C. -H. Yu, K. M. Walukiewicz, W. BE Butte, R TI Optical properties of ion beam synthesized nitrogen-rich GaN(1-x)As(x) SO PHYSICA STATUS SOLIDI C: CURRENT TOPICS IN SOLID STATE PHYSICS, VOL 6, SUPPL 2 SE Physica Status Solidi C-Current Topics in Solid State Physics LA English DT Proceedings Paper CT International Workshop on Nitride Semiconductors CY OCT 06-10, 2008 CL Montreux, SWITZERLAND ID CHEMICAL-VAPOR-DEPOSITION; IMPLANTED GAN; ALLOYS; SEMICONDUCTORS; EPITAXY AB We have synthesized GaN(1-x)As(x) alloys using implantation of As into GaN followed by rapid thermal annealing. Appearance of a new As-derived band at about 2.5 eV below the conduction band edge is confirmed by photomodulated transmission (PT) and photoluminescence (PL). Photoluminescence peaks at about 2.37 eV observed at low temperature in As and Ar implanted Mg doped GaN samples are attributed to emission associated with complexes of damage produced donors and Mg acceptors. The results demonstrate a feasibility of using ion beam synthesis to produce N-rich group III nitride based highly mismatched alloys. (C) 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim C1 [Chen, C. -H.; Yu, K. M.; Walukiewicz, W.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Chen, CH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM chchen@lbl.gov RI Yu, Kin Man/J-1399-2012 OI Yu, Kin Man/0000-0003-1350-9642 NR 19 TC 0 Z9 0 U1 1 U2 4 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PAPPELALLEE 3, W-69469 WEINHEIM, GERMANY SN 1862-6351 J9 PHYS STATUS SOLIDI C PY 2009 VL 6 BP S796 EP S799 DI 10.1002/pssc.200880966 PN S2 PG 4 WC Optics; Physics, Applied; Physics, Condensed Matter SC Optics; Physics GA BWQ45 UT WOS:000294494400127 ER PT S AU Hawkridge, ME Liliental-Weber, Z Yu, KM Reichertz, LA Schaff, WJ Ager, JW Walukiewicz, W AF Hawkridge, Michael E. Liliental-Weber, Zuzanna Yu, Kin M. Reichertz, Lothar A. Schaff, William J. Ager, Joel W. Walukiewicz, Wladek BE Butte, R TI Stacking faults and phase changes in Mg-doped InGaN grown on Si SO PHYSICA STATUS SOLIDI C: CURRENT TOPICS IN SOLID STATE PHYSICS, VOL 6, SUPPL 2 SE Physica Status Solidi C-Current Topics in Solid State Physics LA English DT Proceedings Paper CT International Workshop on Nitride Semiconductors CY OCT 06-10, 2008 CL Montreux, SWITZERLAND AB We report evidence for the role of Mg in the formation of basal stacking faults and a phase transition in InxGa1-xN layers doped with Mg grown by molecular beam epitaxy on Si (111) substrates with AlN buffer layers. Several samples with varying In content between x similar to 0.1 and x similar to 0.3 are examined by transmission electron microscopy and other techniques. High densities of basal stacking faults are observed in the central region of the InGaN layer away from the substrate or layer surface, but at varying depths within this region. Selected area diffraction patterns show that while the InGaN layer is initially in the wurtzite phase (and of good quality) AlN buffer layer, there is a change to the zinc blende phase in the upper part of the InGaN layer. SIMS measurements show that the Mg concentration drops from a maximum to a steady concentration coinciding with the presence of the basal stacking faults. There is little change in In or Ga concentrations in the same area. High-resolution electron microscopy from the area of the stacking faults confirms that the change to the cubic phase is abrupt across one such fault. These results indicate that Mg plays a role in the formation of stacking faults and the phase change observed in InxGa1-xN alloys. We also consider the role of In in the formation of these defects. (C) 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim C1 [Hawkridge, Michael E.; Liliental-Weber, Zuzanna; Yu, Kin M.; Reichertz, Lothar A.; Ager, Joel W.; Walukiewicz, Wladek] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Schaff, William J.] Cornell Univ, Dept Elect & Comp Engn, Ithaca, NY 14853 USA. RP Hawkridge, ME (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM mehawkridge@lbl.gov RI Liliental-Weber, Zuzanna/H-8006-2012; Yu, Kin Man/J-1399-2012; OI Yu, Kin Man/0000-0003-1350-9642; Ager, Joel/0000-0001-9334-9751 FU Rose Street Energy Laboratory (KMY, LR, JWA); Director, Office of Science; Office of Basic Energy Sciences; Materials Sciences and Engineering Division; U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by Rose Street Energy Laboratory (KMY, LR, JWA) and by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division of the U.S. Department of Energy, Contract No. DE-AC02-05CH11231 NR 8 TC 1 Z9 1 U1 0 U2 5 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PAPPELALLEE 3, W-69469 WEINHEIM, GERMANY SN 1862-6351 J9 PHYS STATUS SOLIDI C PY 2009 VL 6 BP S421 EP S424 DI 10.1002/pssc.200880978 PN S2 PG 4 WC Optics; Physics, Applied; Physics, Condensed Matter SC Optics; Physics GA BWQ45 UT WOS:000294494400033 ER PT S AU Liliental-Weber, Z Yu, KM Hawkridge, M Bedair, S Berman, AE Emara, A Domagala, J Bak-Misiuk, J AF Liliental-Weber, Z. Yu, K. M. Hawkridge, M. Bedair, S. Berman, A. E. Emara, A. Domagala, J. Bak-Misiuk, J. BE Butte, R TI Spontaneous stratification of InGaN layers and its influence on optical properties SO PHYSICA STATUS SOLIDI C: CURRENT TOPICS IN SOLID STATE PHYSICS, VOL 6, SUPPL 2 SE Physica Status Solidi C-Current Topics in Solid State Physics LA English DT Proceedings Paper CT International Workshop on Nitride Semiconductors CY OCT 06-10, 2008 CL Montreux, SWITZERLAND ID X-RAY AB Transmission Electron Microscopy, high resolution X-ray diffraction and reciprocal space maps, Rutherford Back Scattering and photoluminescence were applied to study InGaN layers grown by MOCVD with increasing layer thickness (100 nm to 1000 nm) and nominally constant In concentration of 10%. Spontaneous stratification of the layer has been found. A strained layer with lower than nominal In content was found in direct contact with the underlying GaN followed by relaxed layers with a nominal or higher In concentration. A high density of randomly distributed stacking faults as well as domains with cubic structure and closely distributed stacking faults (polytype-like) were present in the thicker layers. Strong corrugation of the thicker sample surface was observed. The appearance of multiple photoluminescence line positions was related not only to the spontaneously formed layers with different In content, but also to the structural planar defects formed in the thicker layers. (C) 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim C1 [Liliental-Weber, Z.; Yu, K. M.; Hawkridge, M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, M-S 62R203-8255, Berkeley, CA 94720 USA. [Bedair, S.; Berman, A. E.; Emara, A.] N Carolina State Univ, Elect & Comp Engn Dept, Raleigh, NC 27695 USA. [Domagala, J.; Bak-Misiuk, J.] Polish Acad Sci, Inst Phys, PL-02668 Warsaw, Poland. RP Liliental-Weber, Z (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, M-S 62R203-8255, Berkeley, CA 94720 USA. EM Z_Liliental-Weber@lbl.gov RI Liliental-Weber, Zuzanna/H-8006-2012; Yu, Kin Man/J-1399-2012; Domagala, Jaroslaw/P-1811-2016 OI Yu, Kin Man/0000-0003-1350-9642; Domagala, Jaroslaw/0000-0001-5515-9877 FU Director, Office of Science; Office of Basic Energy Sciences; Division of Materials Sciences and Engineering; U.S. Department of Energy FX This work is 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. NR 8 TC 5 Z9 5 U1 0 U2 8 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PAPPELALLEE 3, W-69469 WEINHEIM, GERMANY SN 1862-6351 J9 PHYS STATUS SOLIDI C PY 2009 VL 6 BP S433 EP S436 DI 10.1002/pssc.200880985 PN S2 PG 4 WC Optics; Physics, Applied; Physics, Condensed Matter SC Optics; Physics GA BWQ45 UT WOS:000294494400036 ER PT S AU Williamson, TL Hoffbauer, MA Yu, KM Reichertz, LA Hawkridge, ME Jones, RE Miller, N Ager, JW Liliental-Weber, Z Walukiewicz, W AF Williamson, T. L. Hoffbauer, M. A. Yu, K. M. Reichertz, L. A. Hawkridge, M. E. Jones, R. E. Miller, N. Ager, J. W., III Liliental-Weber, Z. Walukiewicz, W. BE Butte, R TI Highly luminescent InxGa1-x N thin films grown over the entire composition range by energetic neutral atom beam lithography & epitaxy (ENABLE) SO PHYSICA STATUS SOLIDI C: CURRENT TOPICS IN SOLID STATE PHYSICS, VOL 6, SUPPL 2 SE Physica Status Solidi C-Current Topics in Solid State Physics LA English DT Proceedings Paper CT International Workshop on Nitride Semiconductors CY OCT 06-10, 2008 CL Montreux, SWITZERLAND ID III-NITRIDE ALLOYS; INN AB In-rich alloys of InxGa1-xN are becoming highly sought after because of the significant role they may play in a number of technologies including photovoltaics, solid-state lighting, and high frequency electronics. Unfortunately, these alloys are difficult to produce with high quality by conventional growth technologies. We describe our efforts to create high-quality In-rich InxGa1-xN alloys by a new growth technology called energetic neutral atom beam lithography & epitaxy (ENABLE). ENABLE uses a collimated beam of neutral N atoms (kinetic energies of similar to 2.0 eV) as the reactive group V species in InxGa1-xN growth, allowing for a substantial reduction in substrate growth temperatures (typically 450 degrees C to 750 degrees C). Directly providing a significant portion of the required reaction energy by the N atoms rather than by high substrate temperatures improves InxGa1-xN film quality across the full stoichiometric range. ENABLE-grown InN on sapphire is shown to be highly crystalline by XRD and RBS. The observed photoluminescence (PL) peak energy is 0.74 eV, and the electron concentrations are between 7x10(18) and 7x10(19) cm(-3) with the highest mobility exceeding 1200 cm(2)/Vs. ENABLE has been used to produce highly luminescent InxGa1-xN with PL peak energies in the 1.5 to 2.5 eV range, spanning the visible range. ENABLE grown InxGa1-xN films are shown by XRD to be highly crystalline consisting of a uniform single phase. These results establish ENABLE as a new technique uniquely capable of low temperature growth of highquality InxGa1-xN films over widely varying compositions. (C) 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim C1 [Williamson, T. L.; Hoffbauer, M. A.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM USA. [Yu, K. M.; Reichertz, L. A.; Hawkridge, M. E.; Jones, R. E.; Miller, N.; Ager, J. W., III; Liliental-Weber, Z.; Walukiewicz, W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA. RP Hoffbauer, MA (reprint author), Los Alamos Natl Lab, Div Chem, Los Alamos, NM USA. EM mhoffbauer@lanl.gov RI Liliental-Weber, Zuzanna/H-8006-2012; Yu, Kin Man/J-1399-2012; OI Yu, Kin Man/0000-0003-1350-9642; Ager, Joel/0000-0001-9334-9751 FU internal Laboratory Directed Research Development; Rose Street Energy Laboratory; Department of Defense; U.S. Department of Energy [DE-AC02 05CH11231] FX The work at LANL was supported by internal Laboratory Directed Research & Development funding. The work at LBNL was supported by Rose Street Energy Laboratory (KMY, LR, MEH, JWA), by the Department of Defense (REJ,NM), and by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division of the U.S. Department of Energy, Contract No. DE-AC02 05CH11231. NR 10 TC 6 Z9 6 U1 0 U2 3 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PAPPELALLEE 3, W-69469 WEINHEIM, GERMANY SN 1862-6351 J9 PHYS STATUS SOLIDI C PY 2009 VL 6 BP S409 EP S412 DI 10.1002/pssc.200880956 PN S2 PG 4 WC Optics; Physics, Applied; Physics, Condensed Matter SC Optics; Physics GA BWQ45 UT WOS:000294494400030 ER PT J AU Wang, YM Wang, P Kohls, D Hamilton, WA Schaefer, DW AF Wang, Yimin Wang, Peng Kohls, Doug Hamilton, William A. Schaefer, Dale W. TI Water absorption and transport in bis-silane films SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID NEUTRON REFLECTIVITY; CORROSION PROTECTION; BARRIER PROPERTIES; SILICON-WAFERS; AA 2024-T3; ADSORPTION; SPECTROSCOPY; SURFACES; VINYLTRIACETOXYSILANE; RESISTANCE AB Water (D(2)O) ingress in bis-amino silane and bis-sulfur silane films was studied by in situ neutron reflectivity. Bis-amino silane film absorbs substantially more D(2)O (33 vol%) than the bis-sulfur silane film (4.6 vol%) at equilibrium. The volume increase (swelling) of both films, however, is much smaller than the total volume of D(2)O absorbed in the films. The results suggest that the absorbed water exists in two populations: one is dissolved in the polymer matrix (Henry's mode) while the other occupies unrelaxed free volume existing in the polymer (Langmuir mode). The dominance of Langmuir mode accounts for the small film thickness change during the water absorption. Dual-mode sorption is also consistent with the observed two-stage swelling process whereby an initial rapid increase in film thickness is followed by a slower process extending over 11 h. C1 [Wang, Yimin; Wang, Peng; Kohls, Doug; Schaefer, Dale W.] Univ Cincinnati, Dept Chem & Mat Engn, Cincinnati, OH 45221 USA. [Hamilton, William A.] Oak Ridge Natl Lab, Div Solid State, Oak Ridge, TN 37831 USA. RP Schaefer, DW (reprint author), Univ Cincinnati, Dept Chem & Mat Engn, Cincinnati, OH 45221 USA. EM dale.schaefer@uc.edu RI Wang, Peng/E-4633-2011 FU Strategic Environmental Research and Development Program (SERDP); US Department of Energy [W7405ENG-36]; DOE Once of Basic Energy FX The authors gratefully acknowledge the Strategic Environmental Research and Development Program (SERDP) for sponsoring the research (http://www. serdp. org). We benefited from the use of SPEAR at the Lujan Neutron Scattering Center at the Los Alamos National Laboratory supported under US Department of Energy (DOE) Contract W7405ENG-36 and by the DOE Once of Basic Energy. We thank Dr Jaroslaw Majewski for the help during the NR measurement. We also bene. ted from using the MIRROR facility at HIFR at Oak Ridge National Laboratory for scoping studies. NR 26 TC 10 Z9 10 U1 1 U2 13 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2009 VL 11 IS 1 BP 161 EP 166 DI 10.1039/b808741e PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 406EX UT WOS:000263278900014 PM 19081919 ER PT J AU Miller, JA Klippenstein, SJ Robertson, SH Pilling, MJ Green, NJB AF Miller, James A. Klippenstein, Stephen J. Robertson, Struan H. Pilling, Michael J. Green, Nicholas J. B. TI Detailed balance in multiple-well chemical reactions SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID PHENOMENOLOGICAL RATE COEFFICIENTS; 2-DIMENSIONAL MASTER EQUATION; ISOMERIZATION-REACTIONS; UNIMOLECULAR REACTIONS; BIMOLECULAR REACTIONS; ELEMENTARY REACTIONS; PRESSURE LIMIT; KINETICS; RECOMBINATION; DISSOCIATION AB Chemical reactions that involve multiple, interconnected potential wells are of paramount importance in applications of chemical kinetics, particularly combustion and atmospheric chemistry. The only accurate way of determining phenomenological rate constants theoretically for this type of reaction is from the solution of a time-dependent, multiple-well master equation. In this Perspective we address the issue of whether or not (and to what extent) detailed balance is satisfied by rate constants obtained from such solutions. In addressing this issue we discuss a number of related topics, including necessary and sufficient conditions for a system of first-order rate equations to evolve to chemical equilibrium and the relationship between detailed balance and Wegscheider conditions. The assumption of a "near-Boltzmann" distribution in the wells sheds considerable light on the issue at hand. We discuss this approximation in some detail and suggest a quantitative measure of "near-Boltzmann". It is extremely unlikely that the rate constants of interest satisfy detailed balance exactly (there is no reason to believe that they do). However, the discrepancies are expected to be vanishingly small, as observed in practice. C1 [Miller, James A.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. [Klippenstein, Stephen J.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Robertson, Struan H.; Pilling, Michael J.] Univ Leeds, Sch Chem, Leeds LS2 9JT, W Yorkshire, England. [Green, Nicholas J. B.] Univ Oxford, Cent Chem Lab, Oxford OX1 3QH, England. RP Miller, JA (reprint author), Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. EM jamille@sandia.gov OI Klippenstein, Stephen/0000-0001-6297-9187 FU United States Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94Al85000]; Argonne [DE-AC02-06CH11357] FX This work was supported by the United States Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94Al85000. The work at Argonne was supported under Contract No. DE-AC02-06CH11357. NR 30 TC 21 Z9 22 U1 2 U2 27 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2009 VL 11 IS 8 BP 1128 EP 1137 DI 10.1039/b811312b PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 406DO UT WOS:000263275400001 PM 19209353 ER PT J AU Fernandes, RX Zador, J Jusinski, LE Miller, JA Taatjes, CA AF Fernandes, Ravi X. Zador, Judit Jusinski, Leonard E. Miller, James A. Taatjes, Craig A. TI Formally direct pathways and low-temperature chain branching in hydrocarbon autoignition: the cyclohexyl + O-2 reaction at high pressure SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID PHENOMENOLOGICAL RATE COEFFICIENTS; MASTER EQUATION METHODS; THEORETICAL-ANALYSIS; MOLECULAR-OXYGEN; ALKYLPEROXY RADICALS; REACTION-MECHANISM; CHEMICAL-KINETICS; PRODUCT FORMATION; PRESSURE RANGE; HO2 FORMATION AB The OH concentration in the Cl-initiated oxidation of cyclohexane has been measured between 6.5-20.3 bar and in the 586-828 K temperature range by a pulsed-laser photolytic initiation-laser-induced fluorescence method. The experimental OH profiles are modeled by using a master-equation-based kinetic model as well as a comprehensive literature mechanism. Below similar to 700 K OH formation takes place on two distinct time-scales, one on the order of microseconds and the other over milliseconds. Detailed modeling demonstrates that "formally direct'' chemical activation pathways are responsible for the OH formation on short timescales. These results establish that formally direct pathways are surprisingly important even for relatively large molecules at the pressures of practical combustors. It is also shown that remaining discrepancies between model and experiment are attributable to low-temperature chain branching from the addition of the "second oxygen'' to hydroperoxycyclohexyl radicals. C1 [Fernandes, Ravi X.; Zador, Judit; Jusinski, Leonard E.; Miller, James A.; Taatjes, Craig A.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. RP Taatjes, CA (reprint author), Sandia Natl Labs, Combust Res Facil, Mail Stop 9055, Livermore, CA 94551 USA. EM cataatj@sandia.gov RI Zador, Judit/A-7613-2008 OI Zador, Judit/0000-0002-9123-8238 FU Sandia National Laboratories under the Laboratory-Directed Research and Development (LDRD) FX The authors thank Stephen J. Klippenstein (Argonne National Laboratory) for providing the initial Vari. ex input. le on which our present high pressure calculations are based. This work is supported by Sandia National Laboratories under the Laboratory-Directed Research and Development (LDRD) program. 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-AC04-94-AL85000. NR 40 TC 34 Z9 34 U1 5 U2 26 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2009 VL 11 IS 9 BP 1320 EP 1327 DI 10.1039/b819825j PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 408VF UT WOS:000263462500007 PM 19224032 ER PT J AU Wang, J Chaos, M Yang, B Cool, TA Dryer, FL Kasper, T Hansen, N Osswald, P Kohse-Hoinghaus, K Westmorelande, PR AF Wang, Juan Chaos, Marcos Yang, Bin Cool, Terrill A. Dryer, Fred L. Kasper, Tina Hansen, Nils Osswald, Patrick Kohse-Hoeinghaus, Katharina Westmorelande, Phillip R. TI Composition of reaction intermediates for stoichiometric and fuel-rich dimethyl ether flames: flame-sampling mass spectrometry and modeling studies SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID COMPREHENSIVE KINETIC-MODEL; DENSITY-FUNCTIONAL THEORY; BURNING VELOCITIES; COMBUSTION PATHWAYS; DIESEL-ENGINES; FLOW REACTORS; AIR; OXIDATION; CHEMISTRY; EMISSIONS AB Molecular-beam synchrotron photoionization mass spectrometry and electron-ionization mass spectrometry are used for measurements of species mole fraction profiles for low-pressure premixed dimethyl ether (DME)flames with equivalence ratios ranging from near-stoichiometric conditions (Phi = 0.93) to fuel-rich flames near the limits of flat-flame stability (Phi = 1.86). The results are compared with predictions of a recently modified kinetic model for DME combustion [Zhao et al., Int. J. Chem. Kinet., 2008, 40, 1-18] that has been extensively tested against laminar flame speed measurements, jet-stirred reactor experiments, pyrolysis and oxidation experiments in flow reactors, species measurements for burner-stabilized flames and ignition delay measurements in shock tubes. The present comprehensive measurements of the composition of reaction intermediates over a broad range of equivalence ratios considerably extends the range of the previous experiments used for validation of this model and allows for an accurate determination of contributions of individual reactions to the formation or destruction of any given flame species. The excellent agreement between measurements and predictions found for all major and most intermediate species over the entire range of equivalence ratios provides a uniquely sensitive test of details of the kinetic model. The dependence on equivalence ratio of the characteristic reaction paths in DME flames is examined within the framework of reaction path analyses. C1 [Wang, Juan; Yang, Bin; Cool, Terrill A.] Cornell Univ, Sch Appl & Engn Phys, Ithaca, NY 14853 USA. [Chaos, Marcos; Dryer, Fred L.] Princeton Univ, Dept Mech & Aerosp Engn, Princeton, NJ 08544 USA. [Kasper, Tina; Hansen, Nils] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. [Osswald, Patrick; Kohse-Hoeinghaus, Katharina] Univ Bielefeld, Dept Chem, D-33615 Bielefeld, Germany. [Westmorelande, Phillip R.] Univ Massachusetts, Dept Chem Engn, Amherst, MA 01003 USA. RP Cool, TA (reprint author), Cornell Univ, Sch Appl & Engn Phys, Ithaca, NY 14853 USA. EM tac13@cornell.edu; fldryer@princeton.edu RI Yang, Bin/A-7158-2008; Kohse-Hoinghaus, Katharina/A-3867-2012; Hansen, Nils/G-3572-2012; Osswald, Patrick/N-3377-2013; Kasper, Tina/A-2975-2017 OI Yang, Bin/0000-0001-7333-0017; Osswald, Patrick/0000-0002-2257-2988; Kasper, Tina/0000-0003-3993-5316 FU Division of Chemical Sciences, Geosciences, and Biosciences; Office of Basic Energy Sciences; U. S. Department of Energy (USDOE) [DE-FG02-01ER15180, DE-FG02-86ER13503, DE-FG02-91ER14192]; Deutsche Forschungsgemeinschaft [KO 1363/18-3]; National Nuclear Security Administration [DE-AC04-94-AL85000]; Lawrence Berkeley National Laborator [DE-AC02-05CH11231] FX The authors are grateful to Paul Fugazzi for expert technical assistance. This work is supported by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U. S. Department of Energy (USDOE), in part under grants DE-FG02-01ER15180 (T.A.C., J.W., B.Y.), DE-FG02-86ER13503 (F.L.D., M. C.), DE-FG02-91ER14192 (P.R.W.); by the Chemical Sciences Division, U. S. Army Research Office (T.A.C., J.W., B.Y.); and by the Deutsche Forschungsgemeinschaft KO 1363/18-3 (K.K.-H.,P.O.) Sandia is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the National Nuclear Security Administration under contract DE-AC04-94-AL85000. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences Division, of the USDOE under Contract No. DE-AC02-05CH11231 at Lawrence Berkeley National Laboratory. NR 39 TC 39 Z9 40 U1 6 U2 41 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2009 VL 11 IS 9 BP 1328 EP 1339 DI 10.1039/b815988b PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 408VF UT WOS:000263462500008 PM 19224033 ER PT J AU Zhang, HZ Chen, B Banfield, JF AF Zhang, Hengzhong Chen, Bin Banfield, Jillian F. TI The size dependence of the surface free energy of titania nanocrystals SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID AMORPHOUS TITANIA; PHASE-STABILITY; PARTICLE-SIZE; ANATASE TIO2; STRESS; TEMPERATURE; KINETICS; TENSION; GROWTH AB We determined the lattice contraction of nanocrystalline anatase (TiO2) as a function of particle size (similar to 4-34 nm) using X-ray diffraction and Rietveld analysis. Surface free energy (gamma) of nanocrystalline anatase was derived from these data from an integration of the surface stress calculated from the lattice contraction. Our results revealed an unexpected strong size dependence of gamma with a maximum value at around 14 nm. Two opposing factors contribute to the variation of gamma with the particle size, the increase of surface free energy with decreasing particle size due to presence of more high-energy sites, and the decrease of surface free energy due to closer structural correspondence between surfaces and interiors of nanoparticles as the particle size decreases. Our approach may be used to study nanoparticles in cells and other environments where conventional calorimetric measurements of nanoparticle surface enthalpy are not applicable. C1 [Zhang, Hengzhong; Chen, Bin; Banfield, Jillian F.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. [Banfield, Jillian F.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Zhang, HZ (reprint author), Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. EM heng@eps.berkeley.edu FU U.S. Department of Energy [DE-FG03-01ER15218]; National Science Foundation [EAR-0123967] FX We thank two anonymous referees for their helpful comments. Financial support was provided by the U.S. Department of Energy (Grant # DE-FG03-01ER15218) and the National Science Foundation (Grant # EAR-0123967). NR 31 TC 49 Z9 50 U1 3 U2 37 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2009 VL 11 IS 14 BP 2553 EP 2558 DI 10.1039/b819623k PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 425LV UT WOS:000264640100025 PM 19325990 ER PT J AU Mei, DH Ge, QF Kwak, JH Kim, DH Verrier, C Szanyi, J Peden, CHF AF Mei, Donghai Ge, Qingfeng Kwak, Ja Hun Kim, Do Heui Verrier, Christelle Szanyi, Janos Peden, Charles H. F. TI Characterization of surface and bulk nitrates of gamma-Al2O3-supported alkaline earth oxides using density functional theory SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; GAMMA-ALUMINA SURFACES; WAVE BASIS-SET; NOX STORAGE; FUNDAMENTAL-ASPECTS; 1ST PRINCIPLES; ADSORPTION; BAO; CATALYSTS AB "Surface'' and "bulk'' nitrates formed on a series of alkaline earth oxides (AEOs), AE(NO3)(2), were investigated using first-principles density functional theory calculations. The formation of these surface and bulk nitrates was modeled by the adsorption of NO2 + NO3 pairs on gamma-Al2O3-supported monomeric AEOs (MgO, CaO, SrO, and BaO) and on the extended AEO(001) surfaces, respectively. The calculated vibrational frequencies of the surface and bulk nitrates based on our proposed models are in good agreement with experimental measurements of AEO/gamma-Al2O3 materials after prolonged NO2 exposure. This indicates that experimentally observed "surface'' nitrates are most likely formed with isolated two-dimensional (including monomeric) AEO clusters on the gamma-Al2O3 substrate, while the "bulk'' nitrates are formed on exposed (including (001)) surfaces (and likely in the bulk as well) of large three-dimensional AEO particles supported on the gamma-Al2O3 substrate. Also in line with the experiments, our calculations show that the low and high frequency components of the vibrations for both surface and bulk nitrates are systematically red-shifted with the increasing basicity and cationic size of the AEOs. The adsorption strengths of NO2 + NO3 pairs are nearly the same for the series of alumina-supported monomeric AEOs, while the adsorption strengths of NO2 + NO3 pairs on the AEO surfaces increase in the order of MgO < CaO < SrO similar to BaO. Compared to the NO2 + NO3 pair that only interacts with monomeric AEOs, the stability of NO2 + NO3 pairs which interact with both the monomeric AEO and the gamma-Al2O3 substrate is enhanced by about 0.5 eV. C1 [Mei, Donghai; Kwak, Ja Hun; Kim, Do Heui; Verrier, Christelle; Szanyi, Janos; Peden, Charles H. F.] Pacific NW Natl Lab, Inst Interfacial Catalysis, Richland, WA 99352 USA. [Ge, Qingfeng] So Illinois Univ, Dept Chem & Biochem, Carbondale, IL 62901 USA. RP Mei, DH (reprint author), Pacific NW Natl Lab, Inst Interfacial Catalysis, Richland, WA 99352 USA. EM donghai.mei@pnl.gov RI Mei, Donghai/D-3251-2011; Ge, Qingfeng/A-8498-2009; Mei, Donghai/A-2115-2012; Kwak, Ja Hun/J-4894-2014; Kim, Do Heui/I-3727-2015; OI Ge, Qingfeng/0000-0001-6026-6693; Mei, Donghai/0000-0002-0286-4182; Peden, Charles/0000-0001-6754-9928 FU PNNL Laboratory Directed Research and Development (LDRD); DOE/Office of Basic Energy Sciences/Chemical Sciences; National Energy Research Scientific Computing Center (NERSC) [m752]; US Department of Energy national scientific FX This work, performed in the Institute for Interfacial Catalysis at Pacific Northwest National Laboratory (PNNL), was supported, in part, by a PNNL Laboratory Directed Research and Development (LDRD) project. C. H. F. P. and J. S. were supported by DOE/Office of Basic Energy Sciences/Chemical Sciences. Computing time was granted by the National Energy Research Scientific Computing Center (NERSC) under project No. m752, and by a Computational Grand Challenge "Computational Catalysis'' (GC20691) using the Molecular Science Computing Facility in the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL), a US Department of Energy national scientific user facility located at PNNL. NR 43 TC 6 Z9 6 U1 1 U2 15 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2009 VL 11 IS 18 BP 3380 EP 3389 DI 10.1039/b819347a PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 436KP UT WOS:000265413300004 PM 19421539 ER PT J AU Santulli, AC Xu, WQ Parise, JB Wu, LS Aronson, MC Zhang, F Nam, CY Black, CT Tiano, AL Wong, SS AF Santulli, Alexander C. Xu, Wenqian Parise, John B. Wu, Liusuo Aronson, M. C. Zhang, Fen Nam, Chang-Yong Black, Charles T. Tiano, Amanda L. Wong, Stanislaus S. TI Synthesis and characterization of V2O3 nanorods SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID VANADIUM-OXIDE NANOTUBES; METAL-INSULATOR TRANSITIONS; CR-DOPED V2O3; THIN-FILMS; PHASE-TRANSITION; ELECTROCHEMICAL PROPERTIES; HYDROTHERMAL SYNTHESIS; ELECTRON-MICROSCOPY; LITHIUM BATTERIES; CRYSTAL-STRUCTURE AB In this work, VO2 nanorods have been initially generated as reactive nanoscale precursors to their subsequent conversion to large quantities of highly crystalline V2O3 with no detectable impurities. Structural changes in VO2, associated with the metallic-to-insulating transition from the monoclinic form to the rutile form, have been investigated and confirmed using X-ray diffraction and synchrotron data, showing that the structural transition is reversible and occurs at around 63 degrees C. When this VO2 one-dimensional sample was subsequently heated to 800 degrees C in a reducing atmosphere, it was successfully transformed into V2O3 with effective retention of its nanorod morphology. We have also collected magnetic and transport data on these systems that are comparable to bulk behavior and consistent with trends observed in previous experiments. C1 [Santulli, Alexander C.; Parise, John B.; Zhang, Fen; Tiano, Amanda L.; Wong, Stanislaus S.] SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. [Xu, Wenqian; Parise, John B.] SUNY Stony Brook, Dept Geosci, Stony Brook, NY 11794 USA. [Wu, Liusuo; Aronson, M. C.; Wong, Stanislaus S.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. [Aronson, M. C.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Nam, Chang-Yong; Black, Charles T.] Brookhaven Natl Lab, Ctr Funct Nanomat, 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; Xu, Wenqian/M-5906-2013; Wu, Liusuo/A-5611-2016; Nam, Chang-Yong/D-4193-2009 OI Wu, Liusuo/0000-0003-0103-5267; Nam, Chang-Yong/0000-0002-9093-4063 FU US Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886]; US Department of Energy [DE-AC02-98CH10886]; National Science Foundation [DMR-0800415, DMR-0348239] FX Research carried out (in whole or in part) at the Center for Functional Nanomaterials at Brookhaven National Laboratory was supported by the US Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. MCA and SSW specifically acknowledge the US Department of Energy (DE-AC02-98CH10886) for facility and personnel support for work completed in the Condensed Matter Physics and Materials Science Department. JBP thanks the National Science Foundation (DMR-0800415) for overall support. SSW also acknowledges the National Science Foundation (CAREER Award DMR-0348239), and the Alfred P. Sloan Foundation for PI support and experimental supplies. Moreover, we are grateful to D. Wang (Boston College) as well as to H. Zhou and S. van Horn (SUNY Stony Brook) for their assistance with electron microscopy. We thank Dr Fernando Camino for helpful comments and assistance with our transport measurements. NR 75 TC 18 Z9 18 U1 3 U2 50 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2009 VL 11 IS 19 BP 3718 EP 3726 DI 10.1039/b822902c PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 442PV UT WOS:000265854000016 PM 19421483 ER PT J AU Olejniczak, I Barszcz, B Szutarska, A Graja, A Wojciechowski, R Schlueter, JA Hata, AN Ward, BH AF Olejniczak, Iwona Barszcz, Boleslaw Szutarska, Anna Graja, Andrzej Wojciechowski, Roman Schlueter, John A. Hata, Aaron N. Ward, Brian H. TI IR and Raman spectra of beta ''-(BEDT-TTF)(2)RCH2SO3 (R = SF5, CF3): dimerization related to hydrogen bonding SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID BIS(ETHYLENEDITHIO)TETRATHIAFULVALENE BEDT-TTF; BETA''-(ET)(2)SF5RSO3 R; ORGANIC SUPERCONDUCTOR; ELECTRONIC-PROPERTIES; PHYSICAL-PROPERTIES; OPTICAL-PROPERTIES; CRYSTAL-STRUCTURE; MOLECULAR-SOLIDS; CONDUCTORS; SALTS AB The beta ''-(BEDT-TTF)(2)CF3CH2SO3 organic conductor has been synthesized by electrocrystallization. The crystal structure was determined by single-crystal X-ray diffraction and electronic properties examined. The polarized IR reflectance of beta ''-( BEDT-TTF)(2)SF5CH2SO3 and beta ''-(BEDT-TTF)(2)CF3CH2SO3, as well as Raman spectra of beta ''-(BEDT-TTF)(2)CF3CH2SO3 have been measured as a function of temperature. Both materials display charge-nonequivalence within the whole temperature range and unusual activation of vibronic modes with lowering the temperature. In particular, electron-molecular vibration coupling is involved in the activation of the nu(27) mode. The effect is discussed in terms of lattice dimerization involving hydrogen bonding between the anion layer and the conducting BEDT-TTF layer. C1 [Olejniczak, Iwona; Barszcz, Boleslaw; Szutarska, Anna; Graja, Andrzej] Polish Acad Sci, Inst Mol Phys, PL-60179 Poznan, Poland. [Wojciechowski, Roman] Tech Univ Lodz, Fac Chem, Dept Mol Phys, PL-90924 Lodz, Poland. [Schlueter, John A.; Hata, Aaron N.; Ward, Brian H.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Olejniczak, I (reprint author), Polish Acad Sci, Inst Mol Phys, Smoluchowskiego 17, PL-60179 Poznan, Poland. EM olejniczak@ifmpan.poznan.pl RI Barszcz, Boleslaw/N-3927-2014 FU Ministry of Science and Higher Education; UChicago Argonne, LLC; US Department of the Energy Office of Science laboratory [DE-AC02-06CH11357] FX Work at the Institute of Molecular Physics, Polish Academy of Sciences was supported by the Ministry of Science and Higher Education as the research project in the years 2008-2010. Work supported by UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne''). Argonne, a US Department of the Energy Office of Science laboratory, is operated under Contract No. DE-AC02-06CH11357. The authors thank Janice L. Musfeldt for help with room temperature FIR and NIR reflectance measurements, and numerous discussions. NR 43 TC 1 Z9 1 U1 1 U2 9 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2009 VL 11 IS 20 BP 3910 EP 3920 DI 10.1039/b822253c PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 445QA UT WOS:000266065400013 PM 19440619 ER PT J AU Huse, N Wen, HD Nordlund, D Szilagyi, E Daranciang, D Miller, TA Nilsson, A Schoenlein, RW Lindenberg, AM AF Huse, Nils Wen, Haidan Nordlund, Dennis Szilagyi, Erzsi Daranciang, Dan Miller, Timothy A. Nilsson, Anders Schoenlein, Robert W. Lindenberg, Aaron M. TI Probing the hydrogen-bond network of water via time-resolved soft X-ray spectroscopy SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID VIBRATIONAL-ENERGY RELAXATION; ABSORPTION FINE-STRUCTURE; LIQUID WATER; TEMPERATURE-DEPENDENCE; PRESSURE-DEPENDENCE; OPTICAL-CONSTANTS; BENDING MODE; DYNAMICS; H2O; ICE AB We report time-resolved studies of hydrogen bonding in liquid H2O, in response to direct excitation of the O-H stretch mode at 3 mm, probed via soft X-ray absorption spectroscopy at the oxygen K-edge. This approach employs a newly developed nanofluidic cell for transient soft X-ray spectroscopy in the liquid phase. Distinct changes in the near-edge spectral region (XANES) are observed, and are indicative of a transient temperature rise of 10 K following transient laser excitation and rapid thermalization of vibrational energy. The rapid heating occurs at constant volume and the associated increase in internal pressure, estimated to be 8 MPa, is manifested by distinct spectral changes that differ from those induced by temperature alone. We conclude that the near-edge spectral shape of the oxygen K-edge is a sensitive probe of internal pressure, opening new possibilities for testing the validity of water models and providing new insight into the nature of hydrogen bonding in water. C1 [Huse, Nils; Schoenlein, Robert W.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Wen, Haidan; Szilagyi, Erzsi; Daranciang, Dan; Miller, Timothy A.; Lindenberg, Aaron M.] PULSE Inst, SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Nordlund, Dennis; Nilsson, Anders] Stanford Synchrotron Radiat Lab, Stanford, CA 94309 USA. [Szilagyi, Erzsi; Daranciang, Dan] Stanford Univ, Dept Chem, Stanford, CA 94305 USA. [Miller, Timothy A.; Lindenberg, Aaron M.] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. [Nilsson, Anders] Univ Stockholm, FYSIKUM, S-10691 Stockholm, Sweden. [Schoenlein, Robert W.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Huse, N (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM nhuse@lbl.gov RI Miller, Timothy/C-9128-2011; Nilsson, Anders/E-1943-2011; Nordlund, Dennis/A-8902-2008; WEN, HAIDAN/B-5258-2009; Schoenlein, Robert/D-1301-2014; Huse, Nils/A-5712-2017 OI Miller, Timothy/0000-0002-5585-7736; Nilsson, Anders/0000-0003-1968-8696; Nordlund, Dennis/0000-0001-9524-6908; Schoenlein, Robert/0000-0002-6066-7566; Huse, Nils/0000-0002-3281-7600 FU Director, Office of Science, Office of Basic Energy Sciences, the Chemical Sciences, Geosciences, and Biosciences Division under the Department of Energy [DE-AC02-05CH11231]; Department of Energy through the Stanford PULSE Institute; National Science Foundation (NSF) [CHE-0518637] 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, by the Department of Energy through the Stanford PULSE Institute, and by the National Science Foundation (NSF) CHE-0518637. NR 66 TC 49 Z9 49 U1 7 U2 34 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2009 VL 11 IS 20 BP 3951 EP 3957 DI 10.1039/b822210j PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 445QA UT WOS:000266065400018 PM 19440624 ER PT J AU Kilina, S Badaeva, E Piryatinski, A Tretiak, S Saxena, A Bishop, AR AF Kilina, Svetlana Badaeva, Ekaterina Piryatinski, Andrei Tretiak, Sergei Saxena, Avadh Bishop, Alan R. TI Bright and dark excitons in semiconductor carbon nanotubes: insights from electronic structure calculations SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID REAL-TIME; TEMPERATURE; ABSORPTION; POLYMERS; DYNAMICS; KINETICS; MODEL AB We review electronic structure calculations of finite-length semiconducting carbon nanotubes using time-dependent density functional theory (TD-DFT) and the time dependent Hartree-Fock (TD-HF) approach coupled with semi-empirical AM1 and ZINDO Hamiltonians. We specifically focus on the energy splitting, relative ordering, and localization properties of optically active (bright) and optically forbidden (dark) states from the lowest excitonic band of the nanotubes. These excitonic states are very important in competing radiative and non-radiative processes in these systems. Our analysis of excitonic transition density matrices demonstrates that pure DFT functionals overdelocalize excitons making an electron-hole pair unbound; consequently, excitonic features are not presented in this method. In contrast, the pure HF and AM1 calculations overbind excitons, inaccurately predicting the lowest energy state as a bright exciton. Changing the AM1 with the ZINDO Hamiltonian in TD-HF calculations predicts the bright exciton as the second state after the dark one. However, in contrast to AM1 calculations, the diameter dependence of the excitation energies obtained by ZINDO does not follow the experimental trends. Finally, the TD-DFT approach incorporating hybrid functionals with a moderate portion of the long-range HF exchange, such as B3LYP, has the most generality and predictive capacity providing a sufficiently accurate description of excitonic structure infinite-size nanotubes. These methods characterize four important lower exciton bands: the lowest state is dark, the upper band is bright, and the two other dark and nearly degenerate excitons lie in between. Although the calculated energy splittings between the lowest dark and the bright excitons are relatively large (similar to 0.1 eV), the dense excitonic manifold below the bright exciton allows for fast non- radiative relaxation leading to the rapid population of the lowest dark exciton. This rationalizes the low luminescence efficiency in nanotubes. C1 [Kilina, Svetlana; Piryatinski, Andrei; Tretiak, Sergei; Saxena, Avadh; Bishop, Alan R.] Los Alamos Natl Lab, Div Theoret, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Kilina, Svetlana; Piryatinski, Andrei; Tretiak, Sergei; Saxena, Avadh; Bishop, Alan R.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Badaeva, Ekaterina] Univ Washington, Seattle, WA 98195 USA. RP Tretiak, S (reprint author), Los Alamos Natl Lab, Div Theoret, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. EM serg@lanl.gov RI Piryatinski, Andrei/B-5543-2009; Tretiak, Sergei/B-5556-2009 OI Tretiak, Sergei/0000-0001-5547-3647 FU US Department of Energy [DE-AC52-06NA25396]; Los Alamos LDRD funds; Center for Integrated Nanotechnology (CINT); Center for Nonlinear Studies (CNLS) FX This work was supported by the US Department of Energy and Los Alamos LDRD funds. Los Alamos National Laboratory is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the US Department of Energy under contract DE-AC52-06NA25396. We acknowledge the support of Center for Integrated Nanotechnology (CINT) and Center for Nonlinear Studies (CNLS). NR 58 TC 21 Z9 21 U1 2 U2 18 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2009 VL 11 IS 21 BP 4113 EP 4123 DI 10.1039/b818473a PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 448NL UT WOS:000266269200001 PM 19458812 ER PT J AU Wong, BM Piacenza, M Della Sala, F AF Wong, Bryan M. Piacenza, Manuel Della Sala, Fabio TI Absorption and fluorescence properties of oligothiophene biomarkers from long-range-corrected time-dependent density functional theory SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID TRANSFER EXCITED-STATES; N-SUCCINIMIDYL ESTERS; CHARGE-TRANSFER; LOCAL-DENSITY; EXCHANGE; APPROXIMATION; HYBRID; ENERGIES; SYSTEMS; EXCITATIONS AB The absorption and fluorescence properties in a class of oligothiophene push-pull biomarkers are investigated with a long-range-corrected (LC) density functional method. Using linear-response time-dependent density functional theory (TDDFT), we calculate excitation energies, fluorescence energies, oscillator strengths, and excited-state dipole moments. To benchmark and assess the quality of the LC-TDDFT formalism, an extensive comparison is made between LC-BLYP excitation energies and approximate coupled cluster singles and doubles (CC2) calculations. When using a properly-optimized value of the range parameter, mu, we find that the LC technique provides an accurate description of charge-transfer excitations as a function of biomarker size and chemical functionalization. In contrast, we find that re-optimizing the fraction of Hartree Fock exchange in conventional hybrid functionals still yields an inconsistent description of excitation energies and oscillator strengths for the two lowest excited states in our series of biomarkers. The results of the present study emphasize the importance of a distance-dependent contribution of exchange in TDDFT for investigating excited-state properties. C1 [Wong, Bryan M.] Sandia Natl Labs, Dept Chem Mat, Livermore, CA 94551 USA. [Piacenza, Manuel; Della Sala, Fabio] Univ Salento, Distretto Tecnol ISUFI, CNR INFM, Natl Nanotechnol Lab, I-73100 Lecce, Italy. RP Wong, BM (reprint author), Sandia Natl Labs, Dept Chem Mat, Livermore, CA 94551 USA. EM bmwong@sandia.gov RI Wong, Bryan/B-1663-2009; Della Sala, Fabio/C-6054-2012; OI Wong, Bryan/0000-0002-3477-8043; Della Sala, Fabio/0000-0003-0940-8830; Piacenza, Manuel/0000-0002-2852-1356 FU United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; ERC-Starting Grant FP7-Project "DEDOM" [207441] FX Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. This work is also partially funded by the ERC-Starting Grant FP7-Project "DEDOM," grant agreement number 207441. NR 65 TC 92 Z9 92 U1 1 U2 19 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2009 VL 11 IS 22 BP 4498 EP 4508 DI 10.1039/b901743g PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 453CH UT WOS:000266587300009 PM 19475168 ER PT J AU Devanathan, R Thevuthasan, S Gale, JD AF Devanathan, R. Thevuthasan, S. Gale, J. D. TI Defect interactions and ionic transport in scandia stabilized zirconia SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID MOLECULAR-DYNAMICS SIMULATION; ELECTRICAL-CONDUCTIVITY; CLUSTER FORMATION; OXYGEN DIFFUSION; FUEL-CELLS; SYSTEM; ELECTROLYTES; ZRO2; MECHANISM AB Classical molecular dynamics simulation has been used to study ionic transport in scandia-stabilized zirconia, as well as scandia and yttria-co-doped zirconia, as a function of temperature and composition. The oxygen diffusion coefficient shows a peak at a composition of 6 mol% Sc(2)O(3). At 1125 K and higher temperatures, oxygen vacancies prefer to be second nearest neighbours to yttrium ions and first neighbours to scandium ions, because the defect interactions in scandia-stabilized zirconia are governed mainly by electrostatic effects. Oxygen migration between cation tetrahedra is impeded less effectively by Sc-Sc edges than by Y-Y edges. The formation of neutral dopant-anion vacancy clusters is favoured, in agreement with recent nuclear magnetic resonance observations. C1 [Devanathan, R.] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. [Thevuthasan, S.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. [Gale, J. D.] Curtin Univ Technol, Dept Appl Chem, Nanochem Res Inst, Perth, WA 6845, Australia. RP Devanathan, R (reprint author), Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. EM ram.devanathan@pnl.gov RI Devanathan, Ram/C-7247-2008; Gale, Julian/B-7987-2009 OI Devanathan, Ram/0000-0001-8125-4237; Gale, Julian/0000-0001-9587-9457 FU US Department of Energy (DOE), Office of Biological and Environmental Research [DE-AC05-76RL01830] FX The research was performed using computational resources in the Molecular Science Computing Facility in the Environmental Molecular Science Laboratory, a national scientific user facility sponsored by the US Department of Energy (DOE), Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is a multi-program national laboratory operated by Battelle for DOE under Contract DE-AC05-76RL01830. JDG would like to thank the Australian Research Council for support through a Professorial Research Fellowship, as well as iVEC and NCI for the provision of computer time. NR 25 TC 11 Z9 11 U1 4 U2 27 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2009 VL 11 IS 26 BP 5506 EP 5511 DI 10.1039/b902764e PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 461VJ UT WOS:000267300000034 PM 19551221 ER PT J AU Wu, XH Sun, YG Pelton, M AF Wu, Xiaohua Sun, Yugang Pelton, Matthew TI Recombination rates for single colloidal quantum dots near a smooth metal film SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID EMISSION; FLUORESCENCE; MOLECULE; SURFACE AB This paper presents experimental distributions of recombination rates for excitons in individual CdSe-ZnS core-shell quantum dots separated from a smooth gold film by a nanometre-scale dielectric layer. By measuring emission kinetics as a function of time, we obtain intrinsic recombination rates for single quantum dots. The distribution of recombination rates broadens and its maximum value increases as the separation between the dots and the metal decreases. The results agree with a semiclassical model that takes into account the randomly oriented two-dimensional dipole moments of the quantum dots. C1 [Wu, Xiaohua; Sun, Yugang; Pelton, Matthew] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Pelton, M (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. EM pelton@anl.gov RI Sun, Yugang /A-3683-2010; Pelton, Matthew/H-7482-2013 OI Sun, Yugang /0000-0001-6351-6977; Pelton, Matthew/0000-0002-6370-8765 FU US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH1135] FX Work at the Center for NanoscaleMaterials was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH1135. We thank Dr David Gosztola for help with the optical experiment. NR 14 TC 15 Z9 15 U1 0 U2 10 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2009 VL 11 IS 28 BP 5867 EP 5870 DI 10.1039/b903053k PG 4 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 471DJ UT WOS:000268034900002 PM 19588005 ER PT J AU Dinse, A Schomacker, R Bell, AT AF Dinse, Arne Schomaecker, Reinhard Bell, Alexis T. TI The role of lattice oxygen in the oxidative dehydrogenation of ethane on alumina-supported vanadium oxide SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID CATALYTIC-OXIDATION; PROPANE; ALKANES; UV; SPECTROSCOPY; REDUCTION; ACTIVATION; KINETICS; BUTANES; EXTENT AB The oxidative dehydrogenation (ODH) of ethane on alumina-supported vanadia was investigated with the aim of understanding the effects of lattice oxygen and vanadium oxidation state on the catalyst ODH activity and ethene selectivity. Transient-response experiments were carried out with both a fully oxidized sample of 10 wt% VO(x)/Al(2)O(3) (7 V nm(-2)) and a sample that had been partially reduced in H(2). The experimental results were analyzed to determine the rate coefficients for ethane ODH, k(1), and ethene combustion, k(3). The rate of ODH was found to depend solely on the concentration of reactive oxygen in the catalyst, but not on the means by which this oxygen concentration was attained (i.e., by H(2) versus C(2)H(6) reduction). On the other hand, the ethene selectivity observed at a given concentration of active oxygen was found to depend on the composition of the reducing agent, higher ethene selectivities being observed when H(2), rather than C(2)H(6), was used as the reducing agent. It is proposed that the higher ethene selectivity achieved by H(2) versus C(2)H(6) reduction might be due to a lower ratio of V(4+) to V(3+) cations attained upon reduction in H(2) for a given extent of V(5+) reduction. This interpretation is based on the hypothesis that ethene combustion is initiated by C(2)H(4) adsorption on V(n+) cations present at the catalyst surface and that the strength of adsorption decreases in the order V(5+) > V(4+) > V(3+) consistent with the decreasing Lewis acidity of the cations. C1 [Bell, Alexis T.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Bell, Alexis T.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. [Dinse, Arne; Schomaecker, Reinhard] Tech Univ Berlin, Dept Chem, D-10623 Berlin, Germany. RP Bell, AT (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM bell@cchem.berkeley.edu OI Bell, Alexis/0000-0002-5738-4645 FU US Department of Energy [DE-AC02-05CH11231]; German Research Foundation (Deutsche Forschungsgemeinschaft, DFG) FX The authors acknowledge the discussions of this work with Prof. Enrique Iglesia. This work was supported by the Director, Office of Energy Research, Office of Basic Energy Sciences, Chemical Science Division, of the US Department of Energy under Contract No. DE-AC02-05CH11231 and by the German Research Foundation (Deutsche Forschungsgemeinschaft, DFG) through the corporate research center `` Structure, dynamics and reactivity of transition metal oxide aggregates'' (Sonderforschungsbereich 546, http://www.chemie.hu-berlin.de/sfb546). NR 31 TC 10 Z9 10 U1 2 U2 26 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2009 VL 11 IS 29 BP 6119 EP 6124 DI 10.1039/b821131k PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 471DC UT WOS:000268034000012 PM 19606321 ER PT J AU Poluektov, OG Paschenko, SV Utschig, LM AF Poluektov, O. G. Paschenko, S. V. Utschig, L. M. TI Spin-dynamics of the spin-correlated radical pair in photosystem I. Pulsed time-resolved EPR at high magnetic field SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID PHOTOSYNTHETIC REACTION CENTERS; BIDIRECTIONAL ELECTRON-TRANSFER; BACTERIAL REACTION CENTERS; W-BAND EPR; HIGH-FREQUENCY; RHODOPSEUDOMONAS-SPHAEROIDES; TEMPERATURE; SPECTROSCOPY; PROTEIN; POLARIZATION AB Spin-dynamics of the spin-correlated radical pair (SCRP) P(700)(+) A(1A)(-) in the photosystem I (PSI) reaction center protein have been investigated with high-frequency (HF), time-resolved EPR spectroscopy. The superior spectral resolution of HF EPR enables spin-dynamics for both the donor and acceptor radicals in the pair to be monitored independently. Decay constants of each spin were measured as a function of temperature and compared to data obtained at X-band EPR. Relaxation times, T(1), and decay rates, k(S), are the same at both X- and D-band magnetic fields. The spin-dynamics within the radical pair were determined from theoretical simulation of experimental time-resolved HF EPR spectra. At low temperatures, T < 60 K, the decay of the SCRP from the singlet state, kS, is the predominant process, while at high temperatures, T > 130 K, the T1 relaxation is much faster than k(S). The recombination rate k(S) was observed to decrease as the temperature is increased. These EPR spectral results are in agreement with previously reported optical measurements of P(700)(+)A(1) radical pair recombination. C1 [Poluektov, O. G.; Paschenko, S. V.; Utschig, L. M.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Poluektov, OG (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S,Cass Ave, Argonne, IL 60439 USA. EM Oleg@anl.gov FU US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences [DE-AC02-06CH11357] FX This work was supported by the US Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, under Contract DE-AC02-06CH11357. NR 35 TC 5 Z9 5 U1 3 U2 12 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2009 VL 11 IS 31 BP 6750 EP 6756 DI 10.1039/b906521k PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 476XX UT WOS:000268481200021 PM 19639149 ER PT J AU Davis, MC Brouwer, WJ Wesolowski, DJ Anovitz, LM Lipton, AS Mueller, KT AF Davis, Michael C. Brouwer, William J. Wesolowski, David J. Anovitz, Lawrence M. Lipton, Andrew S. Mueller, Karl T. TI Magnesium silicate dissolution investigated by Si-29 MAS, H-1-Si-29 CPMAS, Mg-25 QCPMG, and H-1-Mg-25 CP QCPMG NMR SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID INTEGER QUADRUPOLAR NUCLEI; RESOLUTION O-17 NMR; SOLID-STATE O-17; FORSTERITE DISSOLUTION; NATURAL-ABUNDANCE; IONIC-STRENGTH; SPECTROSCOPY; TEMPERATURE; RATES; PH AB Olivine-(Mg,Fe)(2)SiO4-has been the subject of frequent investigation in the earth sciences because of its simple structure and rapid dissolution kinetics. Several studies have observed a preferential release of the divalent cation with respect to silicon during weathering under acidic conditions, which has been correlated to the formation of a silicon-rich leached layer. While leached layer formation has been inferred through the changing solution chemistry, a thorough spectroscopic investigation of olivine reacted under acidic conditions has not been conducted. The pure magnesium end member of the olivine series (forsterite Mg2SiO4) was chosen for detailed investigations in this study because paramagnetic iron hinders NMR investigations by providing an extra mode of relaxation for neighboring nuclei, causing lineshapes to become significantly broadened and unobservable in the NMR spectrum. For reacting forsterite, spectroscopic interrogations using nuclear magnetic resonance (NMR) can elucidate the changing magnesium coordination and bonding environment. In this study, we combine analysis of the changing solution chemistry with advanced NMR techniques (Si-29 MAS, H-1-Si-29 CP MAS, Mg-25 QCPMG, and H-1-Mg-25 CP QCPMG NMR) to probe leached layer formation and secondary phase precipitation during the dissolution of forsterite at 150 degrees C. C1 [Davis, Michael C.; Brouwer, William J.; Mueller, Karl T.] Penn State Univ, Dept Chem, University Pk, PA 16802 USA. [Wesolowski, David J.; Anovitz, Lawrence M.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Lipton, Andrew S.] Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. RP Mueller, KT (reprint author), Penn State Univ, Dept Chem, 104 Chem Bldg, University Pk, PA 16802 USA. EM ktm2@psu.edu RI Mueller, Karl/A-3637-2010; Anovitz, Lawrence/P-3144-2016 OI Anovitz, Lawrence/0000-0002-2609-8750 NR 37 TC 28 Z9 28 U1 0 U2 39 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2009 VL 11 IS 32 BP 7013 EP 7021 DI 10.1039/b907494e PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 479QT UT WOS:000268676700016 PM 19652836 ER PT J AU Homer, CJ Jiang, XM Ward, TL Brinker, CJ Reid, JP AF Homer, Christopher J. Jiang, Xingmao Ward, Timothy L. Brinker, C. Jeffrey Reid, Jonathan P. TI Measurements and simulations of the near-surface composition of evaporating ethanol-water droplets SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID LASER-INDUCED FLUORESCENCE; DIMENSIONAL STEFAN PROBLEM; ENHANCED RAMAN-SCATTERING; VAPOR-LIQUID-EQUILIBRIA; DIFFUSION-COEFFICIENT; TEMPERATURE-GRADIENTS; AEROSOL-PARTICLES; MOVING BOUNDARY; LINEAR STREAM; MIXTURES AB The evolving composition of evaporating ethanol-water droplets (initially 32.6 or 45.3 mu m radius) is probed by stimulated Raman scattering over the period 0.2 to 3 ms following droplet generation and with a surrounding nitrogen gas pressure in the range 10 to 100 kPa. The dependence of the evaporation rate on the relative humidity of the surrounding gas phase is also reported. The measured data are compared with both a quasi-steady state model and with numerical simulations of the evaporation process. Results from the numerical simulations are shown to agree closely with the measurements when the stimulated signal is assumed to arise from an outer shell with a probe depth of 2.9 +/- 0.4% of the droplet radius, consistent with a previous determination. Further, the time-dependent measurements are shown to be sensitive to the development of concentration gradients within evaporating droplets. This represents the first direct measurement of the spatial gradients in composition that arise during the evaporation of aerosol droplets and allows the influence of liquid phase diffusion within the condensed phase on droplet evaporation to be examined. C1 [Homer, Christopher J.; Reid, Jonathan P.] Univ Bristol, Sch Chem, Bristol BS8 1TS, Avon, England. [Jiang, Xingmao; Brinker, C. Jeffrey] Univ New Mexico, Ctr Microengineered Mat, Albuquerque, NM 87106 USA. [Ward, Timothy L.; Brinker, C. Jeffrey] Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87106 USA. [Ward, Timothy L.; Brinker, C. Jeffrey] Univ New Mexico, Dept Mol Genet & Microbiol, Albuquerque, NM 87106 USA. [Brinker, C. Jeffrey] Sandia Natl Labs, Albuquerque, NM 87106 USA. RP Reid, JP (reprint author), Univ Bristol, Sch Chem, Cantocks Close, Bristol BS8 1TS, Avon, England. RI Reid, Jonathan/D-9411-2013; jiang, xingmao /H-3554-2013 FU NERC; EPSRC; NSF [EEC-0210835]; Air Force Office [F49620-01-0168]; DOD [318651]; DOE Basic Energy Sciences [DE-FG03-02ER15368] FX CJH acknowledges the NERC for studentship funding to support this project. JPR acknowledges the EPSRC for financial support for this research and for Advanced Research Fellowship funding for JPR. CJB acknowledges NSF NIRT Grant EEC-0210835, the Air Force Office of Scientific Research Award F49620-01-0168, the DOD MURI Program Contract 318651, and the DOE Basic Energy Sciences Program NSET Grant DE-FG03-02ER15368 for the financial supports. NR 52 TC 7 Z9 7 U1 2 U2 19 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2009 VL 11 IS 36 BP 7780 EP 7791 DI 10.1039/b904070f PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 491AD UT WOS:000269548300003 PM 19727484 ER PT J AU Herich, H Tritscher, T Wiacek, A Gysel, M Weingartner, E Lohmann, U Baltensperger, U Cziczo, DJ AF Herich, Hanna Tritscher, Torsten Wiacek, Aldona Gysel, Martin Weingartner, Ernest Lohmann, Ulrike Baltensperger, Urs Cziczo, Daniel J. TI Water uptake of clay and desert dust aerosol particles at sub- and supersaturated water vapor conditions SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID MINERAL DUST; ICE NUCLEATION; CLOUDS; CLIMATE; NUCLEI; PRECIPITATION; GROWTH; DISTRIBUTIONS; SURFACES; CHAMBER AB Airborne mineral dust particles serve as cloud condensation nuclei (CCN), thereby influencing the formation and properties of warm clouds. It is therefore of atmospheric interest how dust aerosols with different mineralogy behave when exposed to high relative humidity (RH) or supersaturation (SS) with respect to liquid water. In this study the subsaturated hygroscopic growth and the supersaturated cloud condensation nucleus activity of pure clays and real desert dust aerosols were determined using a hygroscopicity tandem differential mobility analyzer (HTDMA) and a cloud condensation nuclei counter (CCNC), respectively. Five different illite, montmorillonite and kaolinite clay samples as well as three desert dust samples (Saharan dust (SD), Chinese dust (CD) and Arizona test dust (ATD)) were investigated. Aerosols were generated both with a wet and a dry disperser. The water uptake was parameterized via the hygroscopicity parameter kappa. The hygroscopicity of dry generated dust aerosols was found to be negligible when compared to processed atmospheric aerosols, with CCNC derived kappa values between 0.00 and 0.02 (the latter corresponds to a particle consisting of 96.7% by volume insoluble material and similar to 3.3% ammonium sulfate). Pure clay aerosols were generally found to be less hygroscopic than natural desert dust particles. The illite and montmorillonite samples had kappa similar to 0.003. The kaolinite samples were less hygroscopic and had kappa = 0.001. SD (kappa = 0.023) was found to be the most hygroscopic dry-generated desert dust followed by CD (kappa = 0.007) and ATD (kappa = 0.003). Wet-generated dust showed an increased water uptake when compared to dry-generated samples. This is considered to be an artifact introduced by redistribution of soluble material between the particles. Thus, the generation method is critically important when presenting such data. These results indicate any atmospheric processing of a fresh mineral dust particle which leads to the addition of more than similar to 3% soluble material will significantly enhance its hygroscopicity and CCN activity. C1 [Herich, Hanna; Wiacek, Aldona; Lohmann, Ulrike; Cziczo, Daniel J.] ETH, Inst Atmospher & Climate Sci, CH-8092 Zurich, Switzerland. [Tritscher, Torsten; Gysel, Martin; Weingartner, Ernest; Baltensperger, Urs] Paul Scherrer Inst, Lab Atmospher Chem, CH-5232 Villigen, Switzerland. RP Cziczo, DJ (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. RI Gysel, Martin/C-3843-2008; Weingartner, Ernest/B-6793-2009; Lohmann, Ulrike/B-6153-2009 OI Gysel, Martin/0000-0002-7453-1264; Weingartner, Ernest/0000-0002-2427-4634; Lohmann, Ulrike/0000-0001-8885-3785 FU ETH internal research funding; PNNL Aerosol Initiative; European Union FX This work was supported by ETH internal research funding, the PNNL Aerosol Initiative and the European Union FP6 infrastructure project EUSAAR (European Supersites for Atmospheric Aerosol Research). We thank Paul DeMott for useful discussions. NR 46 TC 46 Z9 46 U1 4 U2 45 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2009 VL 11 IS 36 BP 7804 EP 7809 DI 10.1039/b901585j PG 6 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 491AD UT WOS:000269548300005 PM 19727486 ER PT J AU Che, DL Smith, JD Leone, SR Ahmed, M Wilson, KR AF Che, Dung L. Smith, Jared D. Leone, Stephen R. Ahmed, Musahid Wilson, Kevin R. TI Quantifying the reactive uptake of OH by organic aerosols in a continuous flow stirred tank reactor SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID GAS-PHASE REACTIONS; RATE CONSTANTS; HETEROGENEOUS OXIDATION; ATMOSPHERIC AEROSOLS; HYDROXYL RADICALS; SURFACES; KINETICS; PARTICLES; OZONOLYSIS; ALKANES AB Here we report a new method for measuring the heterogeneous chemistry of sub-micron organic aerosol particles using a continuous flow stirred tank reactor. This approach is designed to quantify the real time heterogeneous kinetics, using a relative rate method, under conditions of low oxidant concentration and long reaction times that more closely mimic the real atmosphere than the conditions used in a typical flow tube reactor. A general analytical expression, which couples the aerosol chemistry with the flow dynamics in the chamber is developed and applied to the heterogeneous oxidation of squalane particles by hydroxyl radicals (OH) in the presence of O(2). The particle phase reaction is monitored via photoionization aerosol mass spectrometry and yields a reactive uptake coefficient of 0.51 +/- 0.10, using OH concentrations of 1-7 x 10(8) molecule cm(-3) and reaction times of 1.5-3 h. In general, this approach provides a new way to connect the chemical aging of organic particles measured at short reaction times and high oxidant concentrations in flow tubes with the long reaction times and low oxidant conditions in smog chambers and the real atmosphere. C1 [Che, Dung L.; Smith, Jared D.; Leone, Stephen R.; Ahmed, Musahid; Wilson, Kevin R.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Che, Dung L.; Leone, Stephen R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Che, Dung L.; Leone, Stephen R.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RP Wilson, KR (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM krwilson@lbl.gov RI Ahmed, Musahid/A-8733-2009 FU Director, Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the US Department of Energy [DE-AC02-05CH11231]; National Aeronautics and Space Administration [NASA-NNG06GGF26G]; Morris Belkin Visiting Professorship FX This work was supported by the Director, Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the US Department of Energy under Contract No. DE-AC02-05CH11231. J. D. S. is supported by the Camille and Henry Dreyfus foundation postdoctoral program in environmental chemistry. D. L. C. is grateful to the National Aeronautics and Space Administration for support on Grant NASA-NNG06GGF26G. S. R. L. acknowledges the support of a Morris Belkin Visiting Professorship at the Weizmann Institute of Science. The authors wish to acknowledge the technical contributions of Dr Christophe Nicolas (SOLEIL) and Dr Erin Mysak (LBNL) to the construction of the CFSTR. NR 48 TC 31 Z9 31 U1 3 U2 43 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2009 VL 11 IS 36 BP 7885 EP 7895 DI 10.1039/b904418c PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 491AD UT WOS:000269548300015 PM 19727496 ER PT J AU Bateman, AP Nizkorodov, SA Laskin, J Laskin, A AF Bateman, Adam P. Nizkorodov, Sergey A. Laskin, Julia Laskin, Alexander TI Time-resolved molecular characterization of limonene/ozone aerosol using high-resolution electrospray ionization mass spectrometry SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID SECONDARY ORGANIC AEROSOL; TERPENE OXIDATION-PRODUCTS; BIOGENIC HYDROCARBONS; HETEROGENEOUS REACTION; CHEMICAL-COMPOSITION; ALPHA-PINENE; GASEOUS HNO3; PARTICLES; OLIGOMERS; OZONOLYSIS AB Molecular composition of limonene/O(3) secondary organic aerosol (SOA) was investigated using high-resolution electrospray ionization mass spectrometry (HR-ESI-MS) as a function of reaction time. SOA was generated by ozonation of D-limonene in a reaction chamber and sampled at different time intervals using a cascade impactor. The SOA samples were extracted into acetonitrile and analyzed using a HR-ESI-MS instrument with a resolving power of 100 000 (m/Delta m). The resulting mass spectra provided detailed information about the extent of oxidation inferred from the O : C ratios, double bond equivalency (DBE) factors, and aromaticity index (AI) values in hundreds of identified individual SOA species. The chemical composition of SOA was approximately the same for all size-fractionated samples studied in this experiment (0.05 to 0.5 mu m range). The SOA constituents quickly reached an average O : C ratio of 0.43, which grew to 0.46 after one hour of additional oxidation of particles by the excess ozone. The dominant mechanism of oligomerization, inferred from high resolution ESI-MS data, was reaction between Criegee intermediates and stable first-generation products of limonene ozonolysis. Although the SOA composition was dominated by various oxidized aliphatic compounds, a small fraction of products appeared to contain aromatic rings. SOA generation was also studied in the presence of UV radiation and at elevated relative humidity (RH). The presence of UV radiation had a negligible effect on the SOA composition. The presence of water vapor resulted in a slight redistribution of peak intensities in the mass spectrum likely arising from hydration of certain SOA constituents. The data are consistent with fast production of the first-generation SOA constituents, including oligomers, followed by very slow aging processes that have a relatively small effect on the average molecular composition on the timescale of our experiments. C1 [Bateman, Adam P.; Nizkorodov, Sergey A.] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA. [Laskin, Julia] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. [Laskin, Alexander] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Nizkorodov, SA (reprint author), Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA. EM nizkorod@uci.edu RI Laskin, Julia/H-9974-2012; Bateman, Adam/G-2804-2015; Laskin, Alexander/I-2574-2012; Nizkorodov, Sergey/I-4120-2014 OI Laskin, Julia/0000-0002-4533-9644; Bateman, Adam/0000-0003-3514-0727; Laskin, Alexander/0000-0002-7836-8417; Nizkorodov, Sergey/0000-0003-0891-0052 FU NSF [ATM-0831518, CHE-0431312]; Chemical Sciences Division, Office of Basic Energy Sciences of the US Department of Energy (DOE) [DE-AC06-76RL0 1830]; DOE Global Change Education Program; OBER DOE FX The UCI group acknowledges support provided by the NSF Atmospheric Chemistry program, ATM-0831518 and also by the EMSI program, CHE-0431312. The PNNL group acknowledges support provided by the intramural research and development program of the W. R. Wiley Environmental Molecular Sciences Laboratory (EMSL) and funding by the Chemical Sciences Division, Office of Basic Energy Sciences of the US Department of Energy (DOE). APB acknowledges sponsorship provided by the DOE Global Change Education Program. This work was performed at EMSL, a national scientific user facility sponsored by OBER DOE and located at PNNL. PNNL is operated for US DOE by Battelle Memorial Institute under Contract No. DE-AC06-76RL0 1830. NR 54 TC 43 Z9 43 U1 5 U2 55 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2009 VL 11 IS 36 BP 7931 EP 7942 DI 10.1039/b905288g PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 491AD UT WOS:000269548300019 PM 19727500 ER PT J AU Kroll, JH Smith, JD Che, DL Kessler, SH Worsnop, DR Wilson, KR AF Kroll, Jesse H. Smith, Jared D. Che, Dung L. Kessler, Sean H. Worsnop, Douglas R. Wilson, Kevin R. TI Measurement of fragmentation and functionalization pathways in the heterogeneous oxidation of oxidized organic aerosol SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID MASS-SPECTROMETER; HIGH-RESOLUTION; HYDROXYL RADICALS; RATE CONSTANTS; ALPHA-PINENE; NO3 RADICALS; PART 1; SECONDARY; PARTICLES; PRODUCTS AB The competition between the addition of polar, oxygen-containing functional groups (functionalization) and the cleavage of C-C bonds (fragmentation) has a governing influence on the change in volatility of organic species upon atmospheric oxidation, and hence on the loading of tropospheric organic aerosol. However the relative importance of these two channels is generally poorly constrained for oxidized organics. Here we determine fragmentation-functionalization branching ratios for organics spanning a range of oxidation levels, using the heterogeneous oxidation of squalane (C30H62) as a model system. Squalane particles are exposed to high concentrations of OH in a flow reactor, and measurements of particle mass and elemental ratios enable the determination of absolute elemental composition (number of oxygen, carbon, and hydrogen atoms) of the oxidized particles. At low OH exposure, the oxygen content of the organics increases, indicating that functionalization dominates, whereas for more oxidized organics the amount of carbon in the particles decreases, indicating the increasing importance of fragmentation processes. Once the organics are moderately oxidized (O/C approximate to 0.4), fragmentation completely dominates, and the increase in O/C ratio upon further oxidation is due to the loss of carbon rather than the addition of oxygen. These results suggest that fragmentation reactions may be key steps in the formation and evolution of oxygenated organic aerosol (OOA). C1 [Smith, Jared D.; Che, Dung L.; Wilson, Kevin R.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Kroll, Jesse H.] MIT, Dept Civil & Environm Engn, Cambridge, MA 02139 USA. [Kroll, Jesse H.; Kessler, Sean H.] MIT, Dept Chem Engn, Cambridge, MA 02139 USA. [Kroll, Jesse H.; Worsnop, Douglas R.] Aerodyne Res Inc, Ctr Aerosol & Cloud Chem, Billerica, MA 01821 USA. [Che, Dung L.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Wilson, KR (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM KRWilson@lbl.gov RI Worsnop, Douglas/D-2817-2009 OI Worsnop, Douglas/0000-0002-8928-8017 FU Director, Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the U. S. Department of Energy [DE-AC02-05CH11231]; Camille and Henry Dreyfus foundation; National Aeronautics and Space Administration [NASA-NNG06GGF26G] FX Part of this work was supported by the Director, Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the U. S. Department of Energy under Contract No. DE-AC02-05CH11231. J.D.S. is supported by the Camille and Henry Dreyfus foundation postdoctoral program in environmental chemistry. D. L. C. is grateful to the National Aeronautics and Space Administration for support on Grant NASA-NNG06GGF26G. NR 49 TC 149 Z9 150 U1 9 U2 76 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2009 VL 11 IS 36 BP 8005 EP 8014 DI 10.1039/b905289e PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 491AD UT WOS:000269548300026 PM 19727507 ER PT J AU Jiang, DE Dai, S AF Jiang, De-en Dai, Sheng TI Cis-trans conversion of the CH3S-Au-SCH3 complex on Au(111) SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID TOTAL-ENERGY CALCULATIONS; THIOLATE-PROTECTED AU-38; AUGMENTED-WAVE METHOD; ELECTRONIC-STRUCTURE; GOLD NANOPARTICLE; CRYSTAL-STRUCTURE; METAL-SURFACES; BASIS-SET; CLUSTER; ALKANETHIOLS AB The RS-Au-SR complex (RS- being an alkylthiolate group) has been determined to be an important structural motif at the interface of self-assembled monolayers (SAMs) of thiolate on gold. We investigate the conversion between two stable con. gurations (cis and trans) of the CH3S-Au-SCH3 complex on Au(111) by applying density functional theory. We show that this cis-trans conversion has a barrier of only 0.5 eV, indicating that the two geometrical isomers can easily interchange on Au(111) to facilitate packing of the CH3S-Au-SCH3 complexes on Au(111). We further examine how this conversion connects two stable structural models recently predicted for the well known c(4 x 2) superstructure of SAMs on Au(111). C1 [Jiang, De-en; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Dai, Sheng] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Jiang, DE (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM Jiangd@ornl.gov RI Jiang, De-en/D-9529-2011; Dai, Sheng/K-8411-2015 OI Jiang, De-en/0000-0001-5167-0731; Dai, Sheng/0000-0002-8046-3931 FU U.S. Department of Energy [DE-AC05-00OR22725, DE-AC02-05CH11231] FX This work was supported by Office of Basic Energy Sciences, U.S. Department of Energy under Contract No. DE-AC05-00OR22725 with UT-Battelle, LLC. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U. S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 41 TC 18 Z9 18 U1 0 U2 6 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2009 VL 11 IS 38 BP 8601 EP 8605 DI 10.1039/b902966d PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 498KL UT WOS:000270138700026 PM 19774293 ER PT J AU Casanova, D Head-Gordon, M AF Casanova, David Head-Gordon, Martin TI Restricted active space spin-flip configuration interaction approach: theory, implementation and examples SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID COUPLED-CLUSTER METHOD; SELF-CONSISTENT-FIELD; QUANTUM RENORMALIZATION-GROUPS; ELECTRONIC GROUND-STATE; EXCITED-STATES; BOND-BREAKING; EXCITATION-ENERGIES; SIZE-CONSISTENT; OPEN-SHELL; MULTIREFERENCE METHODS AB A new formulation of the spin-flip (SF) method is presented. The electronic wave function is specified by the definition of an active space and through alpha-to-beta excitations from a Hartree-Fock reference. The method belongs to the restricted active space (RAS) family, where the CI expansion is restricted by classifying the molecular orbitals in three subspaces. Properties such as spin completeness, variationality, size consistency, size intensivity, and orbital invariance are discussed. The implementation and applications use a particular truncation of the wave function, with the inclusion of hole and particle contributions such that for fixed active space size, the number of amplitudes is linear in molecular size. This approach is used to investigate single and double bond-breaking, the singlet-triplet gap of linear acenes, electronic transitions in three Ni(II) octahedral complexes, the low-lying states of the 2,5-didehydrometaxylylene (DDMX) tetraradical and the ground state multiplicity of 28 non-Kekule structures. The results suggest that this approach can provide a quite well balanced description of nearly degenerate electronic states at moderate computational cost. C1 [Casanova, David] Univ Barcelona, Inst Quim Teor Computac IQTCUB, E-08028 Barcelona, Spain. [Head-Gordon, Martin] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Head-Gordon, Martin] Univ Calif Berkeley, Div Chem Sci, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Casanova, D (reprint author), Univ Barcelona, Inst Quim Teor Computac IQTCUB, Marti & Franques 1-11, E-08028 Barcelona, Spain. EM davidcasanovacasas@ub.edu RI Casanova, David/F-9752-2011 OI Casanova, David/0000-0002-8893-7089 FU U.S. Department of Energy through the LBL Ultrafast Center [DE-AC0376SF00098]; Fulbright Fellowship FX This work has been supported by the Office of Basic Energy Sciences of the U.S. Department of Energy through the LBL Ultrafast Center, with additional support from the Director, Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the U.S. Department of Energy under Contract DE-AC0376SF00098, and supercomputer time from NERSC. D. C. acknowledges financial support from a Fulbright Fellowship. NR 93 TC 79 Z9 79 U1 2 U2 19 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2009 VL 11 IS 42 BP 9779 EP 9790 DI 10.1039/b911513g PG 12 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 509QM UT WOS:000271033200021 PM 19851557 ER PT J AU Averkiev, BB Wang, LM Huang, W Wang, LS Boldyrev, AI AF Averkiev, Boris B. Wang, Lei-Ming Huang, Wei Wang, Lai-Sheng Boldyrev, Alexander I. TI Experimental and theoretical investigations of CB8-: towards rational design of hypercoordinated planar chemical species SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID ELECTRON PROPAGATOR CALCULATIONS; TRANSITION-METAL-COMPLEXES; AB-INITIO; HEXACOORDINATE CARBON; BORON CLUSTERS; TETRACOORDINATE CARBON; PHOTOELECTRON-SPECTROSCOPY; GENETIC-ALGORITHM; CYCLIC (B6C)(-2); GENERAL STRATEGY AB We demonstrated in our joint photoelectron spectroscopic and ab initio study that wheel-type structures with a boron ring are not appropriate for designing planar molecules with a hypercoordinate central carbon based on the example of CB8, and CB8- clusters. We presented a chemical bonding model, derived from the adaptive natural density partitioning analysis, capable of rationalizing and predicting planar structures either with a boron ring or with a carbon atom occupying the central hypercoordinate position. According to our chemical bonding model, in the wheel-type structures the central atom is involved in delocalized bonding, while peripheral atoms are involved in both delocalized bonding and two-center two-electron (2c-2e) sigma-bonding. Since carbon is more electronegative than boron it favors peripheral positions where it can participate in 2c-2e sigma-bonding. To design a chemical species with a central hypercoordinate carbon atom, one should consider electropositive ligands, which would have lone pairs instead of 2c-2e peripheral bonds. Using our extensive chemical bonding model that considers both sigma- and pi-bonding we also discuss why the AlB9 and FeB9- species with octacoordinate Al and Fe are the global minima or low-lying isomers, as well as why carbon atom fits well into the central cavity of CAl42- and CAl5+. This represents the first step toward rational design of nano- and subnano-structures with tailored properties. C1 [Wang, Lei-Ming; Huang, Wei; Wang, Lai-Sheng] Washington State Univ, Dept Phys, Richland, WA 99354 USA. [Averkiev, Boris B.; Boldyrev, Alexander I.] Utah State Univ, Dept Chem & Biochem, Logan, UT 84322 USA. [Wang, Lei-Ming; Huang, Wei; Wang, Lai-Sheng] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. RP Wang, LS (reprint author), Washington State Univ, Dept Phys, 2710 Univ Dr, Richland, WA 99354 USA. EM ls.wang@pnl.gov; a.i.boldyrev@usu.edu RI Wang, Leiming/A-3937-2011; Boldyrev, Alexander/C-5940-2009 OI Boldyrev, Alexander/0000-0002-8277-3669 FU National Science Foundation [CHE-0714851, CTS-0321170, DMR-0503383]; Utah State University; American Chemical Society [46275-AC6]; DOE's Office of Biological and Environmental Research FX The theoretical work done at Utah State University was supported by the National Science Foundation (CHE-0714851). Computer time from the Center for High Performance Computing at Utah State University is gratefully acknowledged. The computational resource, the Uinta cluster supercomputer, was provided through the National Science Foundation under Grant CTS-0321170 with matching funds provided by Utah State University. The experimental work done at Washington State University was supported by the National Science Foundation (DMR-0503383) and partly by the donors of the Petroleum Research Fund (ACS PRF# 46275-AC6) administered by the American Chemical Society and was performed at the W. R. Wiley Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by DOE's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, which is operated for DOE by Battelle. NR 65 TC 53 Z9 53 U1 1 U2 20 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2009 VL 11 IS 42 BP 9840 EP 9849 DI 10.1039/b908973j PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 509QM UT WOS:000271033200028 PM 19851564 ER PT J AU Zakzeski, J Burton, S Behn, A Head-Gordon, M Bell, AT AF Zakzeski, Joseph Burton, Sarah Behn, Andrew Head-Gordon, Martin Bell, Alexis T. TI Spectroscopic investigation of the species involved in the rhodium-catalyzed oxidative carbonylation of toluene to toluic acid SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID NUCLEAR-MAGNETIC-RESONANCE; TRIFLUOROACETIC-ACID; NMR-SPECTROSCOPY; SINGLE-CRYSTALS; COMPLEXES; DENSITY; ABSORPTION; SPECTRA; POTASSIUM; CHEMISTRY AB A spectroscopic investigation of complexes used to catalyze the oxidative carbonylation of toluene to p-toluic acid was conducted. Rhodium complexes were analyzed by (103)Rh and (13)C NMR, UV-visible spectroscopy, and infrared spectroscopy. In the presence of vanadium and oxygen, the resting state of the Rh-catalyst was found to exist as a Rh(III) complex with carbonyl and trifluoroacetate ligands, consistent with the structure Rh(CO)(2)(TFA)(3). The (13)C NMR spectrum of Rh((13)CO)(2)(TFA)(3) complex exhibited a carbonyl peak with an unusual degree of shielding, which resulted in the appearance of the carbonyl peak at an unprecedented upfield position in the (13)C NMR spectrum. This shielding was caused by interaction of the carbonyl group with the trifluoroacetate ligand. In the absence of oxygen, the Rh(III) complex reduced to Rh( I), and the reduced form exhibited properties resembling the catalyst precursor. Structures and spectroscopic properties calculated using density functional theory agreed closely with the experimental results. The vanadium co-catalyst used to reoxidize Rh(I) to Rh(III) was similarly characterized by (51)V NMR and UV-visible spectroscopy. The oxidized species corresponded to [(VO(2))(TFA)](2), whereas the reduced species corresponded to (VO)(TFA)(2). The spectroscopic results obtained in this study confirm the identity of the species that have been proposed to be involved in the Rh-catalyzed oxidative carbonylation of toluene to toluic acid. C1 [Zakzeski, Joseph; Behn, Andrew; Bell, Alexis T.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. [Burton, Sarah] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA. [Head-Gordon, Martin] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Bell, AT (reprint author), Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. EM bell@cchem.berkeley.edu OI Bell, Alexis/0000-0002-5738-4645 FU BP; Department of Energy's Office of Biological and Environmental Research FX This work was supported by the Methane Conversion Cooperative, funded by BP. A portion of the research was performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. NR 28 TC 5 Z9 5 U1 1 U2 5 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2009 VL 11 IS 42 BP 9903 EP 9911 DI 10.1039/b906883j PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 509QM UT WOS:000271033200034 PM 19851570 ER PT J AU Lozano, JM Clark, DL Conradson, SD Den Auwer, C Fillaux, C Guilaumont, D Keogh, DW de Leon, JM Palmer, PD Simoni, E AF Lozano, Janeth M. Clark, David L. Conradson, Steven D. Den Auwer, Christophe Fillaux, Clara Guilaumont, Dominique Keogh, D. Webster Mustre de Leon, Jose Palmer, Phillip D. Simoni, Eric TI Influence of the local atomic structure in the X-ray absorption near edge spectroscopy of neptunium oxo ions SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID URANYL-ION; MOLECULAR-DYNAMICS; L-III; XANES; APPROXIMATION; HEXAVALENT; SPECTRA; URANIUM; ENERGY; OXIDES AB Experimental L-III X-ray absorption near edge structure (XANES) spectra of the distorted octahedral neptunium oxo ions NpO2(OH)(4)(2), NpO4(OH)(2)(3), and NpO66 are interpreted using relativistic full multiple scattering calculations of the X-ray absorption process. In this series of compounds, the neptunium cation exhibits two different oxidation states, VI and VII, with coordination spheres from di- to tetra oxo for the first two compounds. The comparison between calculated XANES spectra using the feff code and experimental ones shows that the main features in the spectra are determined by the local coordination around the actinide metal center. Furthermore, the projected density of electronic states (DOS) calculated from the XANES simulations using the feff code are compared to calculations using ADF code. They are both discussed in terms of molecular orbitals and qualitative evolution of bonding within this series of compounds. C1 [Lozano, Janeth M.; Den Auwer, Christophe; Fillaux, Clara; Guilaumont, Dominique] CEA Marcoule, DEN, DRCP, SCPS, F-30207 Bagnols Sur, France. [Lozano, Janeth M.; Mustre de Leon, Jose] Cinvestav Merida, Dept Fis Aplicada, Merida 97310, Yuc, Mexico. [Clark, David L.] Los Alamos Natl Lab, GT Seaborg Inst Transactinium Sci, Los Alamos, NM 87544 USA. [Conradson, Steven D.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87544 USA. [Keogh, D. Webster; Palmer, Phillip D.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87544 USA. [Simoni, Eric] Univ Paris 11, IPN Orsay, F-91405 Orsay, France. RP Den Auwer, C (reprint author), CEA Marcoule, DEN, DRCP, SCPS, F-30207 Bagnols Sur, France. EM christophe.denauwer@cea.fr RI Clark, David/A-9729-2011; Guillaumont, Dominique/H-2508-2015 OI Guillaumont, Dominique/0000-0002-9329-5623 FU US department of Energy [W-7405-ENG-36]; CONACyT-Mexico [48771]; CEA/DEN; CHSOL_RB program FX We would like to thank J.J. Rehr for providing us with an unreleased version of the full multiple scattering calculation program feff82. Measurements were performed at the Stanford Synchrotron Radiation Laboratory (SSRL), which is operated by the Department of Energy, Office of Basic Energy Sciences and the authors would like to acknowledge J. Bargar for its help. This work was supported by the office of Basic Energy Sciences, Division of Chemical Sciences, US department of Energy under contract No. W-7405-ENG-36 with the University of California; CONACyT-Mexico grant No. 48771 and CEA/DEN, CHSOL_RB program. We would like to acknowledge the hospitality of the Seaborg Institute for Transactinium Science at LANL. NR 30 TC 5 Z9 5 U1 2 U2 23 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2009 VL 11 IS 44 BP 10396 EP 10402 DI 10.1039/b911731h PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 515MR UT WOS:000271476400020 PM 19890525 ER PT J AU Zador, J Jasper, AW Miller, JA AF Zador, Judit Jasper, Ahren W. Miller, James A. TI The reaction between propene and hydroxyl SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID TRANSITION-STATE THEORY; PHENOMENOLOGICAL RATE COEFFICIENTS; RADICAL-MOLECULE REACTIONS; POTENTIAL-ENERGY SURFACE; LOW-TEMPERATURE KINETICS; WELL MASTER EQUATION; RATE CONSTANTS; OH-RADICALS; AB-INITIO; LASER FLUORESCENCE AB Stationary points on the C(3)H(7)O potential energy surface relevant to the title reaction are calculated employing RQCISD(T)/cc-pV infinity Z//B3LYP/6-311+ +G(d,p) quantum chemical calculations. Rate coefficients at 50-3000 K temperature and from zero to infinite pressure are calculated using an RRKM-based multiwell master equation. Due to the topography of the entrance channel an effective two-transition-state model is used to calculate accurate association rate coefficients. Our calculations are in excellent agreement with the available experimental data. We predict similar to 5% vinyl alcohol branching above 1000 K, the allyl radical formation being the main channel at high temperatures. C1 [Zador, Judit; Jasper, Ahren W.; Miller, James A.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. RP Zador, J (reprint author), Sandia Natl Labs, Combust Res Facil, MS 9055, Livermore, CA 94551 USA. EM jzador@sandia.gov; jamille@sandia.gov RI Jasper, Ahren/A-5292-2011; Zador, Judit/A-7613-2008 OI Zador, Judit/0000-0002-9123-8238 FU Division of Chemical Sciences, Geosciences, and Biosciences, the Office of Basic Energy Sciences, the U.S. Department of Energy [DE-AC04-94-AL85000] FX The authors thank Yuri Georgievskii for providing the VaReCoF code for the direct VRC-TST calculations. This work is supported by the Division of Chemical Sciences, Geosciences, and Biosciences, the Office of Basic Energy Sciences, the U.S. Department of Energy. Sandia is a multi- program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the National Nuclear Security Administration under contract DE-AC04-94-AL85000. NR 67 TC 56 Z9 56 U1 2 U2 45 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2009 VL 11 IS 46 BP 11040 EP 11053 DI 10.1039/b915707g PG 14 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 522DR UT WOS:000271978500029 PM 19924340 ER PT J AU Gordon, WO Xu, Y Mullins, DR Overbury, SH AF Gordon, Wesley O. Xu, Ye Mullins, David R. Overbury, Steven H. TI Temperature evolution of structure and bonding of formic acid and formate on fully oxidized and highly reduced CeO2(111) SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID WATER-GAS SHIFT; DENSITY-FUNCTIONAL THEORY; INITIO MOLECULAR-DYNAMICS; CERIUM OXIDE SURFACES; SPECTROSCOPIC IDENTIFICATION; INFRARED-SPECTRA; CEO2 SURFACES; ADSORPTION; DECOMPOSITION; TIO2(110) AB Adsorption of formate on oxide surfaces plays a role in water-gas shift (WGS) and other reactions related to H-2 production and CO2 utilization. CeO2 is of particular interest because its reducibility affects the redox of organic molecules. In this work, the adsorption and thermal evolution of formic acid and formate on highly ordered films of fully oxidized CeO2(111) and highly reduced CeOx(111) surfaces have been studied using reflection absorption infrared spectroscopy (RAIRS) under ultra-high vacuum conditions, and the experimental results are combined with density functional theory (DFT) calculations to probe the identity, symmetry, and bonding of the surface intermediates. Disordered ice, ordered alpha-polymorph and molecular formic acid bonded through the carbonyl are observed at low temperatures. By 250 K, desorption and deprotonation lead to formate coexisting with hydroxyl on CeO2(111), identified to be a bridging bidentate formate species that is coordinated to Ce cations in nearly C-2v symmetry and interacting strongly with neighboring H. Changes in the spectra at higher temperatures are consistent with additional tilting of the formate, resulting in C-s(2) or lower symmetry. This change in bonding is caused primarily by interaction with oxygen vacancies introduced by water desorption at 300 K. On reduced CeOx, multiple low-symmetry formate states exist likewise due to interactions with oxygen vacancies. Isotopic studies demonstrate that the formyl hydrogen does not contribute to H incorporated in hydroxyl on the surface, and that both formate oxygen atoms may exchange with lattice oxygen at 400 K. The combined experimental and theoretical results thus provide important insights on the surface reaction pathways of formic acid on ceria. C1 [Gordon, Wesley O.; Xu, Ye; Mullins, David R.; Overbury, Steven H.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN USA. RP Overbury, SH (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN USA. EM overburysh@ornl.gov RI Xu, Ye/B-5447-2009; Overbury, Steven/C-5108-2016 OI Xu, Ye/0000-0002-6406-7832; Overbury, Steven/0000-0002-5137-3961 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U. S. Department of Energy with Oak Ridge National Laboratory (ORNL) [DE-AC05-00OR22725] FX This research is sponsored by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, U. S. Department of Energy, under Contract DE-AC05-00OR22725 with Oak Ridge National Laboratory (ORNL), which is managed and operated by UT-Battelle, LLC, and has used computing resources provided by ORNL and the National Center for Computational Sciences. WOG is sponsored by an appointment to the ORNL Postdoctoral Research Associates Program administered jointly by the Oak Ridge Institute for Science and Education and ORNL. NR 59 TC 32 Z9 32 U1 5 U2 53 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2009 VL 11 IS 47 BP 11171 EP 11183 DI 10.1039/b913310k PG 13 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 525DM UT WOS:000272193800013 PM 20024386 ER PT J AU Thom, AJW Sundstrom, EJ Head-Gordon, M AF Thom, Alex J. W. Sundstrom, Eric J. Head-Gordon, Martin TI LOBA: a localized orbital bonding analysis to calculate oxidation states, with application to a model water oxidation catalyst SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID ELECTRONIC POPULATION ANALYSIS; MOLECULAR WAVE FUNCTIONS; CAMBRIDGE STRUCTURAL DATABASE; DENSITY-FUNCTIONAL THEORY; OXYGEN-EVOLVING COMPLEX; QUANTUM-THEORY; BASIS-SETS; COORDINATION CHEMISTRY; O-2-EVOLVING COMPLEX; PHOTOSYSTEM-II AB We propose a method for calculation of oxidation states in transition metal complexes, utilizing a bonding analysis based on localized molecular orbitals in conjunction with traditional population analyses. The localized orbital bonding analysis (LOBA) is seen to accurately produce both the oxidation state and chemically intuitive views of bonding in the complexes studied. This is in contrast to simple population analyses where the oxidation states are not reproduced for even simple systems and more complex analyses which break down on problematic systems. We report the application to a manganese complex with potential activity as oxygen-evolving catalyst, determining the location of the oxidations. C1 [Thom, Alex J. W.; Sundstrom, Eric J.; Head-Gordon, Martin] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Head-Gordon, Martin] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Thom, AJW (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM alex.thom@berkeley.edu OI Sundstrom, Eric/0000-0002-9970-0319 NR 68 TC 20 Z9 20 U1 1 U2 11 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 EI 1463-9084 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2009 VL 11 IS 47 BP 11297 EP 11304 DI 10.1039/b915364k PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 525DM UT WOS:000272193800025 PM 20024398 ER PT J AU Kim, YH Sun, YY Choi, WI Kang, J Zhang, SB AF Kim, Yong-Hyun Sun, Y. Y. Choi, Woon Ih Kang, Joongoo Zhang, S. B. TI Enhanced dihydrogen adsorption in symmetry-lowered metal-porphyrin-containing frameworks SO PHYSICAL CHEMISTRY CHEMICAL PHYSICS LA English DT Article ID ORGANIC FRAMEWORKS; HYDROGEN STORAGE; SITES; HEMOGLOBIN; COMPLEXES; BINDING; HEME AB Porphyrin is a very important component of natural and artificial catalysis and oxygen delivery in blood. Here, we report that, based on first-principles density-functional calculations, a hydrogen molecule can be adsorbed non-dissociatively onto Ti-, V-, and Fe-porphyrins, similar to oxygen adsorption in heme-containing proteins, with a significant energy gain, greater than 0.3 eV per H(2). The dihydrogen-heme complex will be non-magnetic, as is oxyhemoglobin. In contrast to the backward electron donation of Fe(III)-O(2)(-) in oxyhemoglobin, the dihydrogen binding originates from electron donation from H(2) to the Fe(II). We have identified that the local symmetry of the transition metal center of porphyrins uniquely determines the binding strength, and, thus, one can even manipulate the strength by intentionally and systematically breaking symmetry. C1 [Kim, Yong-Hyun; Choi, Woon Ih; Kang, Joongoo] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Kim, Yong-Hyun] Korea Adv Inst Sci & Technol, Grad Sch Nanosci & Technol WCU, Taejon 305701, South Korea. [Sun, Y. Y.; Zhang, S. B.] Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA. RP Kim, YH (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM yong.hyun.kim@kaist.ac.kr RI Choi, Woon Ih/H-4499-2011; Kim, Yong-Hyun/C-2045-2011; Krausnick, Jennifer/D-6291-2013; Zhang, Shengbai/D-4885-2013; Sun, Yi-Yang/H-4029-2014 OI Kim, Yong-Hyun/0000-0003-4255-2068; Zhang, Shengbai/0000-0003-0833-5860; FU DOE/OS/BES and DOE/EERE [DE-AC36-08GO28308]; Ministry of Education, Science and Technology [R31-2008-000-10071-0] FX We thank W. Choe for encouraging us to study porphyrin systems. The work was supported by DOE/OS/BES and DOE/EERE under Contract No. DE-AC36-08GO28308. Y.-H. K. was also supported by WCU (World Class University) program through the Korea Science and Engineering Foundation funded by the Ministry of Education, Science and Technology (grant number: R31-2008-000-10071-0). NR 25 TC 17 Z9 17 U1 4 U2 23 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9076 J9 PHYS CHEM CHEM PHYS JI Phys. Chem. Chem. Phys. PY 2009 VL 11 IS 48 BP 11400 EP 11403 DI 10.1039/b913711d PG 4 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 526EV UT WOS:000272271400005 PM 20024409 ER PT J AU Karaulanov, T Graf, MT English, D Rochester, SM Rosen, YJ Tsigutkin, K Budker, D Alexandrov, EB Balabas, MV Kimball, DFJ Narducci, FA Pustelny, S Yashchuk, VV AF Karaulanov, T. Graf, M. T. English, D. Rochester, S. M. Rosen, Y. J. Tsigutkin, K. Budker, D. Alexandrov, E. B. Balabas, M. V. Kimball, D. F. Jackson Narducci, F. A. Pustelny, S. Yashchuk, V. V. TI Controlling atomic vapor density in paraffin-coated cells using light-induced atomic desorption SO PHYSICAL REVIEW A LA English DT Article DE atom-surface impact; caesium; organic compounds; photon stimulated desorption; potassium; radiation effects; rubidium; sodium ID GROUND-STATE; INDUCED EJECTION; POTASSIUM ATOMS; MAGNETIC-FIELD; RB ATOMS; RELAXATION; MAGNETOMETER; FILM; GAS; SENSITIVITY AB Atomic-vapor density change due to light induced atomic desorption (LIAD) is studied in paraffin-coated rubidium, cesium, sodium, and potassium cells. In the present experiment, low-intensity probe light is used to obtain an absorption spectrum and measure the vapor density, while light from an argon-ion laser, array of light emitting diodes, or discharge lamp is used for desorption. Potassium is found to exhibit significantly weaker LIAD from paraffin compared to Rb and Cs, and we were unable to observe LIAD with sodium. A simple LIAD model is applied to describe the observed vapor-density dynamics, and the role of the cell's stem is explored through the use of cells with lockable stems. Stabilization of Cs vapor density above its equilibrium value over 25 min is demonstrated. The results of this work could be used to assess the use of LIAD for vapor-density control in magnetometers, clocks, and gyroscopes utilizing coated cells. C1 [Karaulanov, T.; Graf, M. T.; English, D.; Rochester, S. M.; Rosen, Y. J.; Tsigutkin, K.; Budker, D.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Alexandrov, E. B.; Balabas, M. V.] SI Vavilov State Opt Inst, St Petersburg 199034, Russia. [Kimball, D. F. Jackson] Calif State Univ E Bay, Dept Phys, Hayward, CA 94542 USA. [Narducci, F. A.] US Naval Air Syst Command, EO Sensors Div, Patuxent River, MD 20670 USA. [Pustelny, S.] Jagiellonian Univ, M Smoluchowski Inst Phys, Ctr Badan Magnetooptycznych, PL-30059 Krakow, Poland. [Yashchuk, V. V.] Lawrence Berkeley Natl Lab, Adv Light Source Div, Berkeley, CA 94720 USA. RP Karaulanov, T (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM karaulanov@berkeley.edu; budker@berkeley.edu RI Balabas, Mikhail/A-5273-2012; Budker, Dmitry/F-7580-2016 OI Balabas, Mikhail/0000-0002-5383-7897; Budker, Dmitry/0000-0002-7356-4814 FU Office of Naval Research [N00014-97-1-0214]; Russian Foundation for Basic Research [03-02-17509 RFBR]; National Science Foundation; Cal-Space Mini-grant; NURI [HM158208-1-0006]; Lawrence Berkeley National Laboratory's Nuclear Science Division; University of California at Berkeley's Undergraduate Research Apprenticeship Program FX The authors would like to thank Joseph W. Tringe for providing the Blak-Ray discharge lamp and Luxco Wax for providing wax samples. This research was supported by the Office of Naval Research ( Grants No. N00014-97-1-0214 and No. SBIR ), the Russian Foundation for Basic Research ( Grant No. 03-02-17509 RFBR ), the National Science Foundation, a Cal-Space Mini-grant, NURI Grant No. HM158208-1-0006, Lawrence Berkeley National Laboratory's Nuclear Science Division, and the University of California at Berkeley's Undergraduate Research Apprenticeship Program. NR 58 TC 32 Z9 32 U1 5 U2 26 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 2469-9926 EI 2469-9934 J9 PHYS REV A JI Phys. Rev. A PD JAN PY 2009 VL 79 IS 1 AR 012902 DI 10.1103/PhysRevA.79.012902 PG 9 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 401YE UT WOS:000262979000102 ER PT J AU Mathey, L Vishwanath, A Altman, E AF Mathey, L. Vishwanath, A. Altman, E. TI Noise correlations in low-dimensional systems of ultracold atoms SO PHYSICAL REVIEW A LA English DT Article DE boson systems; fermion systems; fluctuations; long-range order; noise; optical lattices ID TONKS-GIRARDEAU GAS; OPTICAL LATTICE; LIQUIDS AB We derive relations between standard order parameter correlations and the noise correlations in time of flight images, which are valid for systems with long-range order as well as low-dimensional systems with algebraic decay of correlations. Both bosonic and fermionic systems are considered. For one-dimensional Fermi systems we show that the noise correlations are equally sensitive to spin, charge, and pairing correlations and may be used to distinguish between fluctuations in the different channels. This is in contrast to linear response experiments, such as Bragg spectroscopy, which are only sensitive to fluctuations in the particle-hole channel (spin or charge). For bosonic systems we find a sharp peak in the noise correlation at opposite momenta that signals pairing correlations in the depletion cloud. In a condensate with true long-range order, this peak is a delta function and we can use Bogoliubov theory to study its temperature dependence. Interestingly we find that it is enhanced with temperature in the low-temperature limit. In one-dimensional condensates with only quasi-long-range (i.e., power-law) order the peak in the noise correlations also broadens to a power-law singularity. C1 [Mathey, L.] Natl Inst Stand & Technol, Joint Quantum Inst, Gaithersburg, MD 20899 USA. [Mathey, L.] Univ Maryland, Gaithersburg, MD 20899 USA. [Vishwanath, A.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Vishwanath, A.] Lawrence Berkeley Natl Labs, Div Mat Sci, Berkeley, CA 94720 USA. [Altman, E.] Weizmann Inst Sci, Dept Condensed Matter Phys, IL-76100 Rehovot, Israel. RP Mathey, L (reprint author), Natl Inst Stand & Technol, Joint Quantum Inst, Gaithersburg, MD 20899 USA. RI Altman, Ehud/C-1514-2010; Mathey, Ludwig/A-9644-2009 FU U. S.-Israel Binational Science Foundation; Israeli Science Foundation FX We thank E. Demler for stimulating discussions. This work was supported by the U. S.-Israel Binational Science Foundation (E.A.) and the Israeli Science Foundation (E.A.). NR 26 TC 14 Z9 14 U1 0 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1050-2947 J9 PHYS REV A JI Phys. Rev. A PD JAN PY 2009 VL 79 IS 1 AR 013609 DI 10.1103/PhysRevA.79.013609 PG 13 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 401YE UT WOS:000262979000137 ER PT J AU Tao, L McCurdy, CW Rescigno, TN AF Tao, Liang McCurdy, C. W. Rescigno, T. N. TI Grid-based methods for diatomic quantum scattering problems: A finite-element discrete-variable representation in prolate spheroidal coordinates SO PHYSICAL REVIEW A LA English DT Article DE bound states; finite element analysis; hydrogen neutral molecules; molecule-photon collisions; photoionisation ID COULOMB 2-CENTER PROBLEM; CONTINUUM WAVE-FUNCTIONS; SMALL MOLECULES; PHOTOIONIZATION; INTEGRALS; ORBITALS AB We show how to combine finite elements and the discrete-variable representation in prolate spheroidal coordinates to develop a grid-based approach for quantum mechanical studies involving diatomic molecular targets. Prolate spheroidal coordinates are a natural choice for diatomic systems and have been used previously in a variety of bound-state applications. The use of exterior complex scaling in the present implementation allows for a transparently simple way of enforcing Coulomb boundary conditions and therefore straightforward application to electronic continuum problems. Illustrative examples involving the bound and continuum states of H(2)(+), as well as the calculation of photoionization cross sections, show that the speed and accuracy of the present approach offer distinct advantages over methods based on single-center expansions. C1 [Tao, Liang; McCurdy, C. W.; Rescigno, T. N.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [McCurdy, C. W.] Univ Calif Davis, Dept Appl Sci, Davis, CA 95616 USA. [McCurdy, C. W.] Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. RP Tao, L (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. FU US Department of Energy [DE-AC02-05CH11231]; NSF [PHY-0604628] FX The authors have benefited from stimulating discussions with Professor Brett Esry on the treatment of boundary conditions with the DVR. This work was performed under the auspices of the US Department of Energy by the University of California Lawrence Berkeley National Laboratory under Contract No. DE-AC02-05CH11231 and was supported by the U. S. DOE Office of Basic Energy Sciences, Division of Chemical Sciences. C. W. M. acknowledges support from the NSF (Contract No. PHY-0604628). NR 30 TC 43 Z9 43 U1 2 U2 13 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1050-2947 J9 PHYS REV A JI Phys. Rev. A PD JAN PY 2009 VL 79 IS 1 AR 012719 DI 10.1103/PhysRevA.79.012719 PG 9 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 401YE UT WOS:000262979000100 ER PT J AU Zhang, JF Cucchietti, FM Chandrashekar, CM Laforest, M Ryan, CA Ditty, M Hubbard, A Gamble, JK Laflamme, R AF Zhang, Jingfu Cucchietti, Fernando M. Chandrashekar, C. M. Laforest, Martin Ryan, Colm A. Ditty, Michael Hubbard, Adam Gamble, John K. Laflamme, Raymond TI Direct observation of quantum criticality in Ising spin chains SO PHYSICAL REVIEW A LA English DT Article DE antiferrimagnetism; critical points; Ising model; magnetic transitions; nuclear magnetic resonance ID NUCLEAR-MAGNETIC-RESONANCE; PHASE-TRANSITIONS; TRANSVERSE-FIELD; SYSTEMS; DYNAMICS; ENERGY; SPACE; MODEL AB We use NMR quantum simulators to study antiferromagnetic Ising spin chains undergoing quantum phase transitions. Taking advantage of the sensitivity of the systems near criticality, we detect the critical points of the transitions using a direct measurement of the Loschmidt echo. We test our simulators for spin chains of even and odd numbers of spins, and compare the experimental results to theoretical predictions. C1 [Zhang, Jingfu; Chandrashekar, C. M.; Laforest, Martin; Ryan, Colm A.; Ditty, Michael; Hubbard, Adam; Laflamme, Raymond] Univ Waterloo, Inst Quantum Comp, Waterloo, ON N2L 3G1, Canada. [Zhang, Jingfu; Chandrashekar, C. M.; Laforest, Martin; Ryan, Colm A.; Ditty, Michael; Hubbard, Adam; Laflamme, Raymond] Univ Waterloo, Dept Phys, Waterloo, ON N2L 3G1, Canada. [Gamble, John K.] Coll Wooster, Dept Phys, Wooster, OH 44691 USA. [Laflamme, Raymond] Perimeter Inst Theoret Phys, Waterloo, ON N2J 2W9, Canada. [Cucchietti, Fernando M.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Zhang, JF (reprint author), Univ Waterloo, Inst Quantum Comp, Waterloo, ON N2L 3G1, Canada. EM j87zhang@iqc.ca; fernando@cucchietti.com; laflamme@iqc.ca RI Chandrashekar, C M /F-2057-2010; Cucchietti, Fernando/C-7765-2016 OI Chandrashekar, C M /0000-0003-4820-2317; Cucchietti, Fernando/0000-0002-9027-1263 FU DOE-LDRD; NSF-REU; Los Alamos Summer School programs FX We thank D. Suter, J. P. Paz, C. Batista, G. Ortiz, T.-C. Wei, M. Zwolak, and H. T. Quan for helpful discussions. F. M. C. acknowledges support from DOE-LDRD programs. J. K. G. acknowledges support from the NSF-REU and Los Alamos Summer School programs. NR 68 TC 55 Z9 58 U1 1 U2 12 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1050-2947 J9 PHYS REV A JI Phys. Rev. A PD JAN PY 2009 VL 79 IS 1 AR 012305 DI 10.1103/PhysRevA.79.012305 PG 12 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 401YE UT WOS:000262979000040 ER PT J AU Zhang, WX Zhuang, J AF Zhang, Wenxian Zhuang, Jun TI Dynamical control of two-level system decay and long time freezing SO PHYSICAL REVIEW A LA English DT Article DE matrix algebra; numerical analysis; phase modulation; quantum theory ID DECOHERENCE AB We investigate with exact numerical calculation coherent control of a two-level quantum system's decay by subjecting the two-level system to many periodic ideal 2 pi phase modulation pulses. For three spectrum intensities (Gaussian, Lorentzian, and exponential), we find both suppression and acceleration of the decay of the two-level system, depending on difference between the spectrum peak position and the eigen frequency of the two-level system. Most interestingly, the decay of the two-level system freezes after many control pulses if the pulse delay is short. The decay freezing value is half of the decay in the first pulse delay. C1 [Zhang, Wenxian; Zhuang, Jun] Fudan Univ, Dept Opt Sci & Engn, State Key Lab Adv Mat & Devices, Shanghai 200433, Peoples R China. [Zhang, Wenxian] Iowa State Univ, Ames, IA 50011 USA. [Zhang, Wenxian] Ames Lab, Ames, IA 50011 USA. RP Zhang, WX (reprint author), Fudan Univ, Dept Opt Sci & Engn, State Key Lab Adv Mat & Devices, Shanghai 200433, Peoples R China. RI Zhang, Wenxian/A-4274-2010 FU U.S. Department of Energy by Iowa State University [W-7405-82]; Director of the Office of Science, Office of Basic Energy Research of the U. S. Department of Energy FX W.Z. is grateful for many helpful discussions with V. V. Dobrovitski, S. Y. Zhu, and T. Yu. This work was partially carried out at the Ames Laboratory, which is operated for the U.S. Department of Energy by Iowa State University under Contract No. W-7405-82 and was supported by the Director of the Office of Science, Office of Basic Energy Research of the U. S. Department of Energy. Part of the calculations was performed at the National High Performance Computing Center of Fudan University. NR 27 TC 8 Z9 8 U1 0 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 1050-2947 J9 PHYS REV A JI Phys. Rev. A PD JAN PY 2009 VL 79 IS 1 AR 012310 DI 10.1103/PhysRevA.79.012310 PG 6 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 401YE UT WOS:000262979000045 ER EF