FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Jiang, W Fu, QQ Fan, HY Wang, W AF Jiang, Wei Fu, Qingquan Fan, Hongyou Wang, Wei TI An NBD fluorophore-based sensitive and selective fluorescent probe for zinc ion SO CHEMICAL COMMUNICATIONS LA English DT Article ID AQUEOUS-SOLUTION; ZN2+; SENSORS; DESIGN; RECOGNITION; CHEMOSENSOR; CHROMOPHORE; ANISOTROPY; CHEMISTRY; EMISSION AB A novel NBD-derived fluorescent probe for Zn2+ is described; the probe features ready availability, good water solubility, high sensitivity and selectivity, and ability to quantify the concentration of Zn2+. C1 [Jiang, Wei; Fu, Qingquan; Wang, Wei] Univ New Mexico, Dept Chem & Chem Biol, Albuquerque, NM 87131 USA. [Fan, Hongyou] Sandia Natl Labs, Ceram Proc & Inorgan Mat Dept, Albuquerque, NM 87185 USA. RP Wang, W (reprint author), Univ New Mexico, Dept Chem & Chem Biol, Albuquerque, NM 87131 USA. EM wwang@unm.edu FU NCRR NIH HHS [P20 RR016480] NR 38 TC 85 Z9 88 U1 1 U2 22 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2008 IS 2 BP 259 EP 261 DI 10.1039/b712377a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 243BU UT WOS:000251770700044 PM 18092106 ER PT J AU Custelcean, R AF Custelcean, Radu TI Crystal engineering with urea and thiourea hydrogen-bonding groups SO CHEMICAL COMMUNICATIONS LA English DT Article ID METAL-ORGANIC FRAMEWORKS; MOLECULAR TECTONICS; SELECTIVE CRYSTALLIZATION; SUPRAMOLECULAR SYNTHESIS; COORDINATION POLYMERS; ANION COORDINATION; COUNTER-ANIONS; NEUTRAL UREA; DESIGN; NETWORKS AB The utilization of N, N'-disubstituted ureas and thioureas as design elements in the synthesis of crystalline organic solids is reviewed. These hydrogen-bonding units are versatile yet predictable building blocks that can be rationally employed in both crystal assembly and functionalization. C1 Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Custelcean, R (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM custelceanr@ornl.gov RI Custelcean, Radu/C-1037-2009 OI Custelcean, Radu/0000-0002-0727-7972 NR 88 TC 184 Z9 184 U1 5 U2 58 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2008 IS 3 BP 295 EP 307 DI 10.1039/b708921j PG 13 WC Chemistry, Multidisciplinary SC Chemistry GA 247TU UT WOS:000252106300002 PM 18401890 ER PT J AU Yang, JB Liu, DJ Kariuki, NN Chen, LX AF Yang, Junbing Liu, Di-Jia Kariuki, Nancy N. Chen, Lin X. TI Aligned carbon nanotubes with built-in FeN4 active sites for electrocatalytic reduction of oxygen SO CHEMICAL COMMUNICATIONS LA English DT Article ID FUEL-CELL CONDITIONS; CATALYSTS; ELECTROLYTE; PYROLYSIS AB The electrocatalytic site FeN4, which is active towards the oxygen reduction reaction, is incorporated into the graphene layer of aligned carbon nanotubes prepared through a chemical vapour deposition process, as is confirmed by X-ray absorption spectroscopy and other characterization techniques. C1 [Yang, Junbing; Liu, Di-Jia; Kariuki, Nancy N.; Chen, Lin X.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Liu, DJ (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM djliu@anl.gov RI Yang, Junbing/E-4316-2010 NR 17 TC 120 Z9 122 U1 8 U2 68 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2008 IS 3 BP 329 EP 331 DI 10.1039/b713096a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 247TU UT WOS:000252106300010 PM 18399197 ER PT J AU Del Sesto, RE McCleskey, TM Burrell, AK Baker, GA Thompson, JD Scott, BL Wilkes, JS Williams, P AF Del Sesto, Rico E. McCleskey, T. Mark Burrell, Anthony K. Baker, Gary A. Thompson, Joe D. Scott, Brian L. Wilkes, John S. Williams, Peg TI Structure and magnetic behavior of transition metal based ionic liquids SO CHEMICAL COMMUNICATIONS LA English DT Article ID CHLORIDE MOLTEN-SALT; SPECTROSCOPIC CHARACTERIZATION; CHLOROALUMINATE MELTS; PHYSICAL-PROPERTIES; IRON(III); ELECTROCHEMISTRY; COMPLEXES; COPPER(I); MIXTURES; SPECTRA AB A series of ionic liquids containing different paramagnetic anions have been prepared and all show paramagnetic behavior with potential applications for magnetic and electrochromic switching as well as novel magnetic transport; also, the tetraalkylphosphonium-based ionic liquids reveal anomalous magnetic behavior. C1 [Del Sesto, Rico E.; McCleskey, T. Mark; Burrell, Anthony K.; Scott, Brian L.] Los Alamos Natl Lab, MPA MC, Los Alamos, NM 87545 USA. [Baker, Gary A.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. [Thompson, Joe D.] Los Alamos Natl Lab, MPA 10, Los Alamos, NM 87545 USA. [Wilkes, John S.; Williams, Peg] USAF Acad, Dept Chem, Colorado Springs, CO 80840 USA. RP Del Sesto, RE (reprint author), Los Alamos Natl Lab, MPA MC, Los Alamos, NM 87545 USA. EM ricod@lanl.gov RI McCleskey, Thomas/J-4772-2012; Baker, Gary/H-9444-2016; Scott, Brian/D-8995-2017; OI Baker, Gary/0000-0002-3052-7730; Scott, Brian/0000-0003-0468-5396; Mccleskey, Thomas/0000-0003-3750-3245 NR 26 TC 151 Z9 152 U1 14 U2 104 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2008 IS 4 BP 447 EP 449 DI 10.1039/b711189d PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 249UD UT WOS:000252254500006 PM 18188463 ER PT J AU Pallan, PS Ittig, D Heroux, A Wawrzak, Z Leumann, CJ Egli, M AF Pallan, Pradeep S. Ittig, Damian Heroux, Annie Wawrzak, Zdzislaw Leumann, Christian J. Egli, Martin TI Crystal structure of tricyclo-DNA: an unusual compensatory change of two adjacent backbone torsion angles SO CHEMICAL COMMUNICATIONS LA English DT Article ID BASE-PAIRING PROPERTIES; BIOPHYSICAL PROPERTIES; IONS; FORM; RNA; REPLACEMENT; RESISTANCE; ANALOGS; SYSTEM; DUPLEX AB The crystal structure of a DNA duplex with tricyclo-DNA (tc-DNA) residues explains the increased RNA affinity of tc-DNA relative to DNA and tc-DNA's superior resistance to nucleases. C1 [Pallan, Pradeep S.; Egli, Martin] Vanderbilt Univ, Dept Biochem, Sch Med, Nashville, TN 37232 USA. [Ittig, Damian; Leumann, Christian J.] Univ Bern, Dept Chem & Biochem, CH-3012 Bern, Switzerland. [Heroux, Annie] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. [Wawrzak, Zdzislaw] Argonne Natl Lab, Adv Photon Source, DND CAT Synchrotron Res Ctr, Argonne, IL 60439 USA. RP Egli, M (reprint author), Vanderbilt Univ, Dept Biochem, Sch Med, Nashville, TN 37232 USA. EM martin.egli@vanderbilt.edu OI Leumann, Christian/0000-0002-7996-7083 FU NIGMS NIH HHS [GM 55237] NR 31 TC 21 Z9 21 U1 1 U2 4 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 EI 1364-548X J9 CHEM COMMUN JI Chem. Commun. PY 2008 IS 7 BP 883 EP 885 DI 10.1039/b716390h PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 259SE UT WOS:000252958700025 PM 18253536 ER PT J AU Fan, HY AF Fan, Hongyou TI Nanocrystal-micelle: synthesis, self-assembly and application SO CHEMICAL COMMUNICATIONS LA English DT Article ID SEMICONDUCTOR QUANTUM DOTS; IN-SITU FORMATION; GOLD NANOPARTICLES; MESOPOROUS SILICA; THIN-FILMS; MAGNETIC NANOPARTICLES; FEPT NANOPARTICLES; SCALING BEHAVIOR; BLOCK-COPOLYMERS; ROOM-TEMPERATURE AB Nanocrystals (NCs) are one of the important building blocks for fabrication of nanostructured arrays for wide range of optical, electronic, magnetic, catalytic and biosensing applications. Here, our recent advances in the synthesis, self-assembly and application of NC-micelles are highlighted. The NCs are encapsulated inside the core of surfactant micelles in a rapid, interfacially driven micro-emulsion process. The flexible surface chemistry of the NC-micelles causes them to be water-soluble and allows further self-assembly into two- and three-dimensional ordered arrays. The NC-micelles are biocompatible, of interest for bio-labeling. Finally, integration of the ordered arrays and charge transport property are discussed. C1 [Fan, Hongyou] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA. [Fan, Hongyou] Univ New Mexico, NSF Ctr Microengineered Mat, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. RP Fan, HY (reprint author), Sandia Natl Labs, Adv Mat Lab, 1001 Univ Blvd SE, Albuquerque, NM 87106 USA. EM hfan@sandia.gov NR 84 TC 47 Z9 47 U1 4 U2 38 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2008 IS 12 BP 1383 EP 1394 DI 10.1039/b711251n PG 12 WC Chemistry, Multidisciplinary SC Chemistry GA 274DZ UT WOS:000253983300001 PM 18338033 ER PT J AU Gandon, V Aubert, C Malacria, M Vollhardt, KPC AF Gandon, Vincent Aubert, Corinne Malacria, Max Vollhardt, K. Peter C. TI Cobalt-mediated regio- and stereoselective assembly of dienamides by hydroaminative alkyne coupling of alpha,omega-diynes SO CHEMICAL COMMUNICATIONS LA English DT Article ID DIELS-ALDER REACTIONS; 2+2+2 CYCLOADDITION REACTIONS; N-H ACTIVATION; C-H; PYRAZINONES; ENAMIDES; ALKENES AB In the presence of CpCo(C(2)H(4))(2), alpha,omega-diynes undergo hydro-aminative coupling with amides to furnish new dienamides with control of regio- and stereochemistry. C1 [Gandon, Vincent; Vollhardt, K. Peter C.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Gandon, Vincent; Vollhardt, K. Peter C.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Gandon, Vincent; Aubert, Corinne; Malacria, Max] Univ Paris 06, Inst Chim Mol FR2769, Chim Organ Lab, UMR 7611, F-75252 Paris, France. RP Vollhardt, KPC (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM kpcv@berkeley.edu RI Gandon, Vincent/C-1942-2014 OI Gandon, Vincent/0000-0003-1108-9410 NR 28 TC 16 Z9 16 U1 1 U2 4 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2008 IS 13 BP 1599 EP 1601 DI 10.1039/b716841a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 277DU UT WOS:000254193700025 PM 18354812 ER PT J AU Scott, BL McCleskey, TM Chaudhary, A Hong-Geller, E Gnanakaran, S AF Scott, Brian L. McCleskey, T. Mark Chaudhary, Anu Hong-Geller, Elizabeth Gnanakaran, S. TI The bioinorganic chemistry and associated immunology of chronic beryllium disease SO CHEMICAL COMMUNICATIONS LA English DT Article ID NECROSIS-FACTOR-ALPHA; ALUMINUM CITRATE; AQUEOUS-SOLUTION; LUNG-DISEASE; T-CELLS; LYMPHOCYTE-PROLIFERATION; COORDINATION CHEMISTRY; ALVEOLAR MACROPHAGES; FIBROBLAST GROWTH; SARCOIDOSIS AB Chronic beryllium disease (CBD) is a debilitating, incurable, and often fatal disease that is caused by the inhalation of beryllium particulates. The growing use of beryllium in the modern world, in products ranging from computers to dental prosthetics (390 tons of beryllium in the US in the year 2000) necessitates a molecular based understanding of the disease in order to prevent and cure CBD. We have investigated the molecular basis of CBD at Los Alamos National Laboratory during the past six years, employing a multidisciplinary approach of bioinorganic chemistry and immunology. The results of this work, including speciation, inhalation and dissolution, and immunology will be discussed. C1 [Scott, Brian L.; McCleskey, T. Mark] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87544 USA. [Chaudhary, Anu; Hong-Geller, Elizabeth] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. [Gnanakaran, S.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Scott, BL (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat Div, POB 1663, Los Alamos, NM 87544 USA. EM bscott@lanl.gov; tmark@lanl.gov; anu@lanl.gov; ehong@lanl.gov; gnana@lanl.gov RI McCleskey, Thomas/J-4772-2012; Scott, Brian/D-8995-2017; OI Scott, Brian/0000-0003-0468-5396; Gnanakaran, S/0000-0002-9368-3044; Mccleskey, Thomas/0000-0003-3750-3245 FU NIGMS NIH HHS [R01 GM076570] NR 73 TC 29 Z9 30 U1 0 U2 6 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2008 IS 25 BP 2837 EP 2847 DI 10.1039/b718746g PG 11 WC Chemistry, Multidisciplinary SC Chemistry GA 316BS UT WOS:000256924500001 PM 18566702 ER PT J AU Johnson, JA Baskin, JM Bertozzi, CR Koberstein, JT Turro, NJ AF Johnson, Jeremiah A. Baskin, Jeremy M. Bertozzi, Carolyn R. Koberstein, Jeffrey T. Turro, Nicholas J. TI Copper-free click chemistry for the in situ crosslinking of photodegradable star polymers SO CHEMICAL COMMUNICATIONS LA English DT Article ID 1,3-DIPOLAR CYCLOADDITIONS; TERMINAL ALKYNES; LIVING SYSTEMS; MODEL NETWORKS; AZIDES; HYDROGELS; LIGATION; ATRP AB Bifunctional,fluorinated cyclooctynes were used for the in situ "click'' crosslinking of azide-terminated photodegradable star polymers, yielding photodegradable polymeric model networks with well-defined structures and tunable gelation times. C1 [Johnson, Jeremiah A.; Turro, Nicholas J.] Columbia Univ, Dept Chem, New York, NY 10027 USA. [Baskin, Jeremy M.; Bertozzi, Carolyn R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Baskin, Jeremy M.; Bertozzi, Carolyn R.] Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. [Baskin, Jeremy M.; Bertozzi, Carolyn R.] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. [Bertozzi, Carolyn R.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Koberstein, Jeffrey T.; Turro, Nicholas J.] Columbia Univ, Dept Chem Engn, New York, NY 10027 USA. RP Turro, NJ (reprint author), Columbia Univ, Dept Chem, 3000 Broadway,MC3157, New York, NY 10027 USA. EM njt3@columbia.edu RI Johnson, Jeremiah/A-8403-2016; OI Johnson, Jeremiah/0000-0001-9157-6491; Baskin, Jeremy/0000-0003-2939-3138 FU NIGMS NIH HHS [GM058867, R01 GM058867, R01 GM058867-11, R37 GM058867] NR 21 TC 111 Z9 111 U1 3 U2 47 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2008 IS 26 BP 3064 EP 3066 DI 10.1039/b803043j PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 320LS UT WOS:000257236600029 PM 18688349 ER PT J AU Wu, ZL Zhou, SH Zhu, HG Dai, S Overbury, SH AF Wu, Zili Zhou, Shenghu Zhu, Haoguo Dai, Sheng Overbury, Steven H. TI Oxygen-assisted reduction of Au species on Au/SiO(2) catalyst in room temperature CO oxidation SO CHEMICAL COMMUNICATIONS LA English DT Article ID CARBON-MONOXIDE; GOLD CATALYSTS; SUPPORTED GOLD; AU/TIO2; FTIR; ADSORPTION; CLUSTERS; TIO2; AU/GAMMA-AL2O3; SIZE AB An unexpected oxygen-assisted reduction of cationic Au species by CO was found on a Au/SiO(2) catalyst at room temperature and the produced metallic Au species plays an essential role in CO oxidation on Au/SiO(2). C1 [Overbury, Steven H.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Overbury, SH (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM overburysh@ornl.gov RI Wu, Zili/F-5905-2012; Overbury, Steven/C-5108-2016; Dai, Sheng/K-8411-2015 OI Wu, Zili/0000-0002-4468-3240; Overbury, Steven/0000-0002-5137-3961; Dai, Sheng/0000-0002-8046-3931 NR 30 TC 29 Z9 29 U1 4 U2 31 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2008 IS 28 BP 3308 EP 3310 DI 10.1039/b803834a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 324XM UT WOS:000257552700025 PM 18622453 ER PT J AU Fang, XK Kogerler, P AF Fang, Xikui Koegerler, Paul TI A polyoxometalate-based manganese carboxylate cluster SO CHEMICAL COMMUNICATIONS LA English DT Article ID SINGLE-MOLECULE MAGNETS; METAL-LANTHANIDE COMPLEXES; HIGH-SPIN MOLECULES; OXIDATION-STATES; POLYOXOANIONS; CATALYSIS; SURFACES; ELEMENTS AB The functionalization of a pre-formed, high oxidation state {(CeMn6IV)-Mn-IV} cluster with a lacunary phosphotungstate, [alpha-P2W15O56](12-), exemplifies a straightforward route for grafting redox-active building blocks to existing Mn-carboxylate clusters and modeling their deposition onto metal oxide surfaces. C1 [Fang, Xikui; Koegerler, Paul] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Koegerler, Paul] Rhein Westfal TH Aachen, Inst Inorgan Chem, D-52074 Aachen, Germany. RP Kogerler, P (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. EM kogerler@ameslab.gov RI Kogerler, Paul/H-5866-2013 OI Kogerler, Paul/0000-0001-7831-3953 NR 33 TC 87 Z9 87 U1 2 U2 18 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 EI 1364-548X J9 CHEM COMMUN JI Chem. Commun. PY 2008 IS 29 BP 3396 EP 3398 DI 10.1039/b804111c PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 327IL UT WOS:000257722700013 PM 18633501 ER PT J AU Yin, HF Wang, C Zhu, HG Overbury, SH Sun, SH Dai, S AF Yin, Hongfeng Wang, Chao Zhu, Haoguo Overbury, Steven H. Sun, Shouheng Dai, Sheng TI Colloidal deposition synthesis of supported gold nanocatalysts based on Au-Fe3O4 dumbbell nanoparticles SO CHEMICAL COMMUNICATIONS LA English DT Article ID TEMPERATURE CO OXIDATION; AU CATALYSTS; TITANIA; SILICA; TIO2 AB Highly active Au catalysts with a dumbbell-like heterostructure for CO oxidation were prepared through colloidal deposition method: both activities and stabilities were investigated under different experimental conditions. C1 [Wang, Chao; Sun, Shouheng] Brown Univ, Dept Chem, Providence, RI 02912 USA. [Yin, Hongfeng; Zhu, Haoguo; Overbury, Steven H.; Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Sun, SH (reprint author), Brown Univ, Dept Chem, Providence, RI 02912 USA. EM ssun@brown.edu; dais@ornl.gov RI Wang, Chao/F-4558-2012; Overbury, Steven/C-5108-2016; Dai, Sheng/K-8411-2015 OI Wang, Chao/0000-0001-7398-2090; Overbury, Steven/0000-0002-5137-3961; Dai, Sheng/0000-0002-8046-3931 FU Office of Basic Energy Sciences; US Department of Energy; US DOE [DE-AC05-00OR22725]; NSF/DMR [0606264] FX The work at ORNL was supported by the Office of Basic Energy Sciences, US Department of Energy. The Oak Ridge National Laboratory is managed by UT-Battelle. LLC for the US DOE under contract DE-AC05-00OR22725. This research was supported in part by the appointment for H. Yin to the ORNL Research Associates Program. administered jointly by ORNL and the Oak Ridge Associated Universities. The work at Brown was supported by NSF/DMR 0606264. NR 24 TC 73 Z9 74 U1 9 U2 103 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 EI 1364-548X J9 CHEM COMMUN JI Chem. Commun. PY 2008 IS 36 BP 4357 EP 4359 DI 10.1039/b807591c PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 350VG UT WOS:000259381100035 PM 18802569 ER PT J AU Spencer, LP Gdula, RL Hayton, TW Scott, BL Boncella, JM AF Spencer, Liam P. Gdula, Robyn L. Hayton, Trevor W. Scott, Brian L. Boncella, James M. TI Synthesis and reactivity of bis(imido) uranium(VI) cyclopentadienyl complexes SO CHEMICAL COMMUNICATIONS LA English DT Article ID F-BLOCK METALS; CRYSTAL-STRUCTURE; IMIDO ANALOGS; URANYL-ION; CATALYSIS; CHEMISTRY; CHLORIDE AB The bis(imido) uranium(VI)-C(5)H(5) and -C(5)Me(5) complexes (C(5)H(5))(2)U(N(t)Bu)(2), (C(5)Me(5))(2)U(N(t)Bu)(2), (C(5)H(5))U(N(t)Bu)(2)(I)-(dmpe), and (C(5)H(5))(2)U(N(t)Bu)(2)(dmpe) can be synthesized from reactions between U(N(t)Bu)(2)(I)(2)(L)(x) (L = THF, x = 2; L = dmpe, x = 1) and Na(C(5)R(5)) (R = H, Me); these complexes represent the first structurally characterized C(5)H(5)-compounds of uranium(VI) and they further highlight the differences between UO(2)(2+) and the bis(imido) fragment. C1 [Spencer, Liam P.; Gdula, Robyn L.; Scott, Brian L.; Boncella, James M.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. [Hayton, Trevor W.] Univ Calif Santa Barbara, Dept Chem & Biochem, Santa Barbara, CA 93106 USA. RP Spencer, LP (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. EM boncella@lanl.gov RI Scott, Brian/D-8995-2017; OI Scott, Brian/0000-0003-0468-5396; Boncella, James/0000-0001-8393-392X FU Seaborg Institute; Division of Chemical Sciences; Office of Basic Energy Sciences; US Department of Energy FX LPS, RLG, and TWH thank the Seaborg Institute for their post-doctoral fellowships. This work was also partially supported by the Division of Chemical Sciences, Office of Basic Energy Sciences, US Department of Energy under the Heavy Element Chemistry Program at LANL. NR 19 TC 36 Z9 36 U1 2 U2 13 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2008 IS 40 BP 4986 EP 4988 DI 10.1039/b806075d PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 365MP UT WOS:000260411000037 PM 18931761 ER PT J AU Lei, CH Hu, DH Ackerman, EJ AF Lei, Chenghong Hu, Dehong Ackerman, Eric J. TI Single-molecule fluorescence spectroelectrochemistry of cresyl violet SO CHEMICAL COMMUNICATIONS LA English DT Article ID INTERFACIAL ELECTRON-TRANSFER; HORSERADISH-PEROXIDASE; TRANSFER DYNAMICS; SPECTROSCOPY; SYSTEMS AB Here we report a new path to study single molecule electron transfer dynamics by coupling scanning fluorescence microscopy with a potentiostat via a conventional electrochemical cell to enable single-molecule fluorescence spectroelectrochemistry of cresyl violet in aqueous solution, demonstrating that the single-molecule fluorescence intensity of cresyl violet is modulated synchronously with the cyclic voltammetric potential scanning. C1 [Lei, Chenghong; Hu, Dehong; Ackerman, Eric J.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Ackerman, EJ (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM Chenghong.Lei@pnl.gov; Dehong.Hu@pnl.gov; Eric.Ackerman@pnl.gov RI Hu, Dehong/B-4650-2010 OI Hu, Dehong/0000-0002-3974-2963 NR 20 TC 41 Z9 41 U1 4 U2 31 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2008 IS 43 BP 5490 EP 5492 DI 10.1039/b812161c PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 370PR UT WOS:000260775000003 PM 18997928 ER PT J AU Carter, TG Yantasee, W Sangvanich, T Fryxell, GE Johnson, DW Addleman, RS AF Carter, Timothy G. Yantasee, Wassana Sangvanich, Thanapon Fryxell, Glen E. Johnson, Darren W. Addleman, R. Shane TI New functional materials for heavy metal sorption: "Supramolecular'' attachment of thiols to mesoporous silica substrates SO CHEMICAL COMMUNICATIONS LA English DT Article ID SELF-ASSEMBLED MONOLAYERS; SUPPORTS SAMMS; NANOPARTICLES; EXTRACTION; SEPARATION; CHEMISTRY; MECHANISM; REMOVAL; DESIGN; FAMILY AB A new class of sorbent material, which exhibits exceptional metal capture from contaminated natural water, features aromatic thiol ligands reversibly bound to functionalized mesoporous silica through non-covalent interactions and have the potential of being regenerable. C1 [Carter, Timothy G.; Johnson, Darren W.] Univ Oregon, Dept Chem, Eugene, OR 97403 USA. [Carter, Timothy G.; Johnson, Darren W.] Univ Oregon, Inst Mat Sci, Eugene, OR 97403 USA. [Carter, Timothy G.; Johnson, Darren W.] Univ Oregon, ONAMI, Eugene, OR 97403 USA. [Yantasee, Wassana; Sangvanich, Thanapon; Fryxell, Glen E.; Addleman, R. Shane] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Johnson, DW (reprint author), Univ Oregon, Dept Chem, Eugene, OR 97403 USA. EM dwj@uoregon.edu; raymond.addleman@pnl.gov FU University of Oregon [CHE-0545206]; NIEHS [1R21ES015620-01A1]; National Science Foundation (NSF) [DGE-0549503] FX Support from the University of Oregon, an NSF-CAREER award (CHE-0545206) and NIEHS (grant #1R21ES015620-01A1) are gratefully acknowledged. D.W.J is a Cottrell Scholar of Research Corporation. T. G. C. acknowledges the National Science Foundation (NSF) for an Integrative Graduate Education and Research Traineeship (No DGE-0549503) and Dr Ngoc Nguyen of the University of Oregon for assistance with the PXRD data collection. NR 25 TC 26 Z9 27 U1 0 U2 12 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2008 IS 43 BP 5583 EP 5585 DI 10.1039/b810576f PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 370PR UT WOS:000260775000034 PM 18997959 ER PT J AU Xiong, ZT Chua, YS Wu, GT Xu, WL Chen, P Shaw, W Karkamkar, A Linehan, J Smurthwaite, T Autrey, T AF Xiong, Zhitao Chua, Yong Shen Wu, Guotao Xu, Weiliang Chen, Ping Shaw, Wendy Karkamkar, Abhi Linehan, John Smurthwaite, Tricia Autrey, Thomas TI Interaction of lithium hydride and ammonia borane in THF SO CHEMICAL COMMUNICATIONS LA English DT Article ID CHEMICAL HYDROGEN STORAGE; THERMAL-DECOMPOSITION; DEHYDROGENATION; RELEASE; IMIDES AB The two-step reaction between LiH and NH(3)BH(3) in THF leads to the production of more than 14 wt% of hydrogen at 40 degrees C. C1 [Xiong, Zhitao; Wu, Guotao; Chen, Ping] Dalian Inst Chem Phys, Dalian 116023, Peoples R China. [Xiong, Zhitao; Chen, Ping] Natl Univ Singapore, Dept Phys, Singapore 117542, Singapore. [Chua, Yong Shen; Xu, Weiliang; Chen, Ping] Natl Univ Singapore, Dept Chem, Singapore 117542, Singapore. [Shaw, Wendy; Karkamkar, Abhi; Linehan, John; Smurthwaite, Tricia; Autrey, Thomas] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Chen, P (reprint author), Dalian Inst Chem Phys, Dalian 116023, Peoples R China. EM pchen@dicp.ac.cn; tom.autrey@pnl.gov RI Chua, Yong Shen/J-3551-2016; OI Yang, Shuman/0000-0002-9638-0890; Chua, Yong Shen/0000-0002-9207-5776 FU Dalian Institute of Chemical Physics, China; National University of Singapore; U.S. DOE CoE in Chemical Hydrogen Storage FX The authors wish to acknowledge supports from the Dalian Institute of Chemical Physics, China, the National University of Singapore, Singapore, and the U.S. DOE CoE in Chemical Hydrogen Storage. This work was performed as a collaboration established by the IPHE project "Combination of Amine Boranes with MgH2 & LiNH2 for High Capacity Reversible Hydrogen Storage.'' A portion of the research described in this paper was performed in the Environmental Molecular Sciences Laboratory, a national scientific user facility located at PNNL. PNNL is operated for the DOE by Battelle. NR 21 TC 59 Z9 59 U1 0 U2 17 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2008 IS 43 BP 5595 EP 5597 DI 10.1039/b812576g PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 370PR UT WOS:000260775000038 PM 18997963 ER PT J AU Zou, GF Jain, M Zhou, HH Luo, HM Baily, SA Civale, L Bauer, E McCleskey, TM Burrell, AK Jia, QX AF Zou, Guifu Jain, Menka Zhou, Honghui Luo, Hongmei Baily, Scott A. Civale, Leonardo Bauer, Eve McCleskey, T. Mark Burrell, Anthony K. Jia, Quanxi TI Ultrathin epitaxial superconducting niobium nitride films grown by a chemical solution technique SO CHEMICAL COMMUNICATIONS LA English DT Article ID POLYMER-ASSISTED DEPOSITION; SINGLE-CRYSTAL; SIS MIXERS; NBN; JUNCTIONS AB Ultrathin epitaxial superconducting NbN (18 nm) films, exhibiting a superconducting transition temperature of 14 K and a critical current density as high as 5.2 MA cm(-2) at 5 K under zero magnetic field, were grown on SrTiO(3) (STO) by a chemical solution technique, polymer assisted deposition (PAD). C1 [Zou, Guifu; Jain, Menka; Zhou, Honghui; Luo, Hongmei; Baily, Scott A.; Civale, Leonardo; Bauer, Eve; McCleskey, T. Mark; Burrell, Anthony K.; Jia, Quanxi] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. RP Zou, GF (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat Div, POB 1663, Los Alamos, NM 87545 USA. EM gfzou@lanl.gov; qxjia@lanl.gov RI ZOU, GUIFU/C-8498-2011; McCleskey, Thomas/J-4772-2012; Jia, Q. X./C-5194-2008; OI Jain, Menka/0000-0002-2264-6895; Civale, Leonardo/0000-0003-0806-3113; Mccleskey, Thomas/0000-0003-3750-3245 FU U. S. Department of Energy (DOE) FX We gratefully acknowledge the support of the U. S. Department of Energy (DOE) through the LANL/LDRD Program and the DOE EE-RE Solid State Lighting Program. NR 12 TC 17 Z9 17 U1 2 U2 19 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2008 IS 45 BP 6022 EP 6024 DI 10.1039/b815066d PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 376GB UT WOS:000261171000041 PM 19030573 ER PT J AU Liang, Y Guo, P Pingali, SV Pabit, S Thiyagarajan, P Berland, KM Lynn, DG AF Liang, Yan Guo, Peng Pingali, Sai Venkatesh Pabit, Suzette Thiyagarajan, Pappannan Berland, Keith M. Lynn, David G. TI Light harvesting antenna on an amyloid scaffold SO CHEMICAL COMMUNICATIONS LA English DT Article ID RESONANCE ENERGY-TRANSFER; PHOTOSYNTHETIC REACTION CENTERS; RHODOBACTER-SPHAEROIDES; SELF-ORGANIZATION; PROTEIN; MEMBRANE; FIBRILS; PEPTIDE; COMPLEX; ASSEMBLIES AB A pigment array has been constructed within a paracrystalline amyloid nanotube and Forster energy transfer along the nanotube surface has been demonstrated to self-assembled acceptor dyes. C1 [Pingali, Sai Venkatesh; Thiyagarajan, Pappannan] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Liang, Yan; Lynn, David G.] Emory Univ, Dept Chem, Ctr Fundamental & Appl Mol Evolut, Emory Ctr BioInspired Renewable Energy, Atlanta, GA 30322 USA. [Liang, Yan; Lynn, David G.] Emory Univ, Dept Biol, Ctr Fundamental & Appl Mol Evolut, Emory Ctr BioInspired Renewable Energy, Atlanta, GA 30322 USA. [Guo, Peng; Pabit, Suzette; Berland, Keith M.] Emory Univ, Dept Phys, Atlanta, GA 30322 USA. RP Thiyagarajan, P (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. EM dlynn2@emory.edu RI Guo, Peng/E-9858-2015; OI Pingali, Sai Venkatesh/0000-0001-7961-4176 FU Apkarian Microscopy Center; APS [DE-AC02-06CH11357]; DOE [ER15377]; NSF [CRC-CHE-0404677, CBC-CHE-0739189] FX The work benefited from the Apkarian Microscopy Center at EU, assistance from Dr Soenke Seifert at the APS under contract number DE-AC02-06CH11357 between UChicago Argonne, LLC and the Department of Energy, support from DOE (ER15377), NSF (CRC-CHE-0404677), and NSF (CBC-CHE-0739189), and for CD instrumentation from NSF (CHE-0131013). NR 33 TC 17 Z9 17 U1 1 U2 14 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2008 IS 48 BP 6522 EP 6524 DI 10.1039/b814262a PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 384KA UT WOS:000261742500014 PM 19057766 ER PT J AU Pons, V Baker, RT Szymczak, NK Heldebrant, DJ Linehan, JC Matus, MH Grant, DJ Dixon, DA AF Pons, Vincent Baker, R. Tom Szymczak, Nathaniel K. Heldebrant, David J. Linehan, John C. Matus, Myrna H. Grant, Daniel J. Dixon, David A. TI Coordination of aminoborane, NH2BH2, dictates selectivity and extent of H-2 release in metal-catalysed ammonia borane dehydrogenation SO CHEMICAL COMMUNICATIONS LA English DT Article ID THERMAL-DECOMPOSITION; HYDROGEN STORAGE AB In situ B-11 NMR monitoring, computational modeling, and external trapping studies show that selectivity and extent of H-2 release in metal-catalysed dehydrogenation of ammonia borane, NH3BH3, are determined by coordination of reactive aminoborane, NH2BH2, to the metal center. C1 [Pons, Vincent; Baker, R. Tom] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Szymczak, Nathaniel K.; Heldebrant, David J.; Linehan, John C.] Pacific NW Natl Lab, Fundamental Sci Directorate, Richland, WA 99354 USA. [Matus, Myrna H.; Grant, Daniel J.; Dixon, David A.] Univ Alabama, Dept Chem, Tuscaloosa, AL 35487 USA. RP Baker, RT (reprint author), Univ Ottawa, Dept Chem, Ottawa, ON K1N 6N5, Canada. EM rbaker@uottawa.ca NR 27 TC 115 Z9 116 U1 3 U2 37 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-7345 J9 CHEM COMMUN JI Chem. Commun. PY 2008 IS 48 BP 6597 EP 6599 DI 10.1039/b809190k PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 384KA UT WOS:000261742500039 PM 19057791 ER PT J AU Kitchin, JR Miller, SD Sholl, DS AF Kitchin, John R. Miller, Spencer D. Sholl, David S. BE Hinchliffe, A TI Density functional theory studies of alloys in heterogeneous catalysis SO CHEMICAL MODELLING: APPLICATIONS AND THEORY, VOL 5: A REVIEW OF THE LITERATURE PUBLISHED BETWEEN JUNE 2005 AND MAY 2007 SE Chemical Modelling Applications and Theory-Specialist Periodical Report LA English DT Article; Book Chapter ID BIMETALLIC RHCU(111) SURFACES; POLAR SEMICONDUCTOR SURFACES; 1ST PRINCIPLES ANALYSIS; AB-INITIO METHODS; OXYGEN REDUCTION; CO OXIDATION; HYDROGEN EVOLUTION; PHASE-TRANSITIONS; MGO(100) SURFACE; 1ST-PRINCIPLES CALCULATIONS C1 [Kitchin, John R.; Miller, Spencer D.; Sholl, David S.] Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. [Kitchin, John R.; Sholl, David S.] 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 OI Kitchin, John/0000-0003-2625-9232 NR 138 TC 3 Z9 3 U1 1 U2 4 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, CAMBRIDGE CB4 4WF, CAMBS, ENGLAND BN 978-1-84755-889-3 J9 CHEM MODEL APPL THEO PY 2008 VL 5 BP 150 EP 181 DI 10.1039/b608782p D2 10.1039/9781847558893 PG 32 WC Chemistry, Physical; Computer Science, Interdisciplinary Applications; Mathematics, Applied SC Chemistry; Computer Science; Mathematics GA BKZ69 UT WOS:000269696400005 ER PT J AU Kauffman, DR Star, A AF Kauffman, Douglas R. Star, Alexander TI Electronically monitoring biological interactions with carbon nanotube field-effect transistors SO CHEMICAL SOCIETY REVIEWS LA English DT Review ID MASS-SPECTROMETRY; DNA ANALYSIS; SINGLE; BIOSENSORS; DEVICES; FUNCTIONALIZATION; PERFORMANCE; ADSORPTION; MECHANISM; PROTEINS AB The year 2008 marks the 10th anniversary of the carbon nanotube field-effect transistor (NTFET). In the past decade a vast amount of effort has been placed on the development of NTFET based sensors for the detection of both chemical and biological species. Towards this end, NTFETs show great promise because of their extreme environmental sensitivity, small size, and ultra-low power requirements. Despite the great progress NTFETs have shown in the field of biological sensing, debate still exists over the mechanistic origins underlying the electronic response of NTFET devices, specifically whether analyte species interact with the carbon nanotube conduction channel or if interaction with the NTFET electrodes actually triggers device response. In this tutorial review, we describe the fabrication of NTFET devices, and detail several reports that illustrate recent advances in biological detection using NTFET devices, while highlighting the suggested mechanisms explaining the device response to analyte species. In doing this we hope to show that NTFET technology has the potential for low-cost and portable bioanalytical platforms. C1 [Kauffman, Douglas R.; Star, Alexander] Univ Pittsburgh, Dept Chem, Pittsburgh, PA 15260 USA. [Kauffman, Douglas R.; Star, Alexander] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Star, A (reprint author), Univ Pittsburgh, Dept Chem, Pittsburgh, PA 15260 USA. EM astar@pitt.edu RI Star, Alexander/C-3399-2013; OI Kauffman, Douglas/0000-0002-7855-3428 NR 51 TC 117 Z9 117 U1 2 U2 40 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 0306-0012 J9 CHEM SOC REV JI Chem. Soc. Rev. PY 2008 VL 37 IS 6 BP 1197 EP 1206 DI 10.1039/b709567h PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA 304NA UT WOS:000256115000011 PM 18497932 ER PT J AU Allendorf, MD Besmann, TM Kee, RJ Swihart, MT AF Allendorf, Mark D. Besmann, Theodore. M. Kee, Robert J. Swihart, Mark T. BE Jones, AC Hitchman, ML TI Modeling CVD Processes SO CHEMICAL VAPOUR DEPOSITION: PRECURSORS, PROCESSES AND APPLICATIONS LA English DT Article; Book Chapter ID CHEMICAL-VAPOR-DEPOSITION; DENSITY-FUNCTIONAL THEORY; AB-INITIO CALCULATIONS; CL-H SYSTEM; DISCRETIZED POPULATION BALANCE; SILICON NANOPARTICLE FORMATION; SINTERABLE CERAMIC POWDERS; SURFACE-REACTION MECHANISM; TOTAL-ENERGY CALCULATIONS; ATOMIC LAYER DEPOSITION C1 [Allendorf, Mark D.] Sandia Natl Labs, Livermore, CA 94551 USA. [Besmann, Theodore. M.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Kee, Robert J.] Colorado Sch Mines, Div Engn, Golden, CO 80401 USA. [Swihart, Mark T.] SUNY Buffalo, Dept Biol & Chem Engn, Buffalo, NY 14260 USA. RP Allendorf, MD (reprint author), Sandia Natl Labs, POB 969 MS 9291, Livermore, CA 94551 USA. RI Swihart, Mark/A-3182-2008 OI Swihart, Mark/0000-0002-9652-687X NR 225 TC 1 Z9 1 U1 0 U2 8 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, CAMBRIDGE CB4 4WF, CAMBS, ENGLAND BN 978-1-84755-879-4 PY 2008 BP 93 EP 157 DI 10.1039/9781847558794-00093 D2 10.1039/9781847558794 PG 65 WC Chemistry, Applied; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA BKZ43 UT WOS:000269685700004 ER PT J AU Carlson, CN Veauthier, JM John, KD Morris, DE AF Carlson, Christin N. Veauthier, Jacqueline M. John, Kevin D. Morris, David E. TI Electronic and magnetic properties of bimetallic ytterbocene complexes: The impact of bridging ligand geometry SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE magnetic properties; metallocenes; UV/Vis spectroscopy; ytterbium ID MOLECULAR WIRES; 2,3,5,6-TETRA(2-PYRIDYL)PYRAZINE TPPZ; ANTIFERROMAGNETIC EXCHANGE; COORDINATION CHEMISTRY; SUPPORTING ELECTROLYTE; LANTHANIDE COMPLEXES; CRYSTAL-STRUCTURES; ENERGY-TRANSFER; PYRAZINE TPPZ; MIXED-VALENCY AB Bimetallic ytterbocene complexes with bridging N-heterocylic ligands have been studied extensively in recent years due to their potential applications ranging from molecular wires to single-molecule magnets. Herein, we review our recent results for a series of ytterbocene polypyridyl bimetallic complexes to highlight the versatility and tunability of these systems based on simple changes in bridging ligand geometry. Our work has involved structural, electrochemical, optical, and magnetic measurements with the goal of better understanding the electronic and magnetic communication between the two ytterbium metal centers in this new class of bimetallics. C1 [Carlson, Christin N.; Veauthier, Jacqueline M.; John, Kevin D.; Morris, David E.] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP John, KD (reprint author), Los Alamos Natl Lab, Div Chem, POB 1663, Los Alamos, NM 87545 USA. EM kdjohn@lanl.gov; demorris@lanl.gov RI Morris, David/A-8577-2012; OI Veauthier, Jacqueline/0000-0003-2206-7786; John, Kevin/0000-0002-6181-9330 NR 59 TC 17 Z9 17 U1 0 U2 6 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0947-6539 J9 CHEM-EUR J JI Chem.-Eur. J. PY 2008 VL 14 IS 2 BP 422 EP 431 DI 10.1002/chem.200700986 PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA 252PE UT WOS:000252457600002 PM 17924595 ER PT J AU Justus, E Rischka, M Wishart, JF Werner, K Gabel, D AF Justus, Eugen Rischka, Mans Wishart, James F. Werner, Kristina Gabel, Detlef TI Trialkylammoniododecaborates: Anions for ionic liquids with potassium, lithium and protons as cations SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE boranes; boron; conducting materials; ionic liquids; lithium; pulse radiolysis ID WEAKLY COORDINATING ANIONS; ROOM-TEMPERATURE; CARBORANE ANIONS; SALTS; SOLVENTS; DERIVATIVES; CATALYSIS; CHEMISTRY; B10H10-2; BORANES AB Herein we report a new class of low-melting ionic liquids (IL) that consist of N,N,N-trialkylammonioundecahydrododecaborates(1-) as the anion and a range of cations. The cations include the common cations of conventional ILs such as tetraalkylammonium, N-alkylpyridinium, and N-methyl-N ''-alkylimidazolium. In addition, their salts with lithium, potassium, and proton cations also exist as ILs. Pulse radiolysis studies indicate that the anions do not react with solvated electrons. C1 [Justus, Eugen; Werner, Kristina; Gabel, Detlef] Univ Bremen, Dept Chem, D-28334 Bremen, Germany. [Rischka, Mans] Fraunhofer Inst Mfg Engn, D-28359 Bremen, Germany. [Rischka, Mans] Appl Mat Res IFAM, D-28359 Bremen, Germany. [Wishart, James F.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Gabel, D (reprint author), Univ Bremen, Dept Chem, POB 330 440, D-28334 Bremen, Germany. EM gabel@chemie.uni-bremen.de RI Wishart, James/L-6303-2013 OI Wishart, James/0000-0002-0488-7636 NR 38 TC 32 Z9 32 U1 1 U2 21 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0947-6539 J9 CHEM-EUR J JI Chem.-Eur. J. PY 2008 VL 14 IS 6 BP 1918 EP 1923 DI 10.1002/chem.200701427 PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA 266XK UT WOS:000253470900025 PM 18067114 ER PT J AU Berthoud, R Baudouin, A Fenet, B Lukens, W Pelzer, K Basset, JM Candy, JP Coperet, C AF Berthoud, Romain Baudouin, Anne Fenet, Bernard Lukens, Wayne Pelzer, Katrin Basset, Jean-Marie Candy, Jean-Pierre Coperet, Christophe TI Mononuclear ruthenium hydride species versus ruthenium nanoparticles: The effect of silane functionalities on silica surfaces SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article ID C-H BOND; ORGANOMETALLIC CHEMISTRY; HETEROGENEOUS CATALYSIS; ORGANOSILANE FRAGMENTS; F-TEST; X-RAY; COMPLEXES; CRYSTAL; METAL; ACTIVATION C1 [Berthoud, Romain; Baudouin, Anne; Basset, Jean-Marie; Candy, Jean-Pierre; Coperet, Christophe] Univ Lyon, Inst Chim, C2P2 LCOMS ESCPE, F-69616 Villeurbanne, France. [Fenet, Bernard] Univ Lyon 1, Ctr RMN, ESCPE, F-69616 Villeurbanne, France. [Lukens, Wayne] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Pelzer, Katrin] Max Planck Soc, Fritz Haber Inst, Dept Inorgan Chem, D-14195 Berlin, Germany. RP Berthoud, R (reprint author), Univ Lyon, Inst Chim, C2P2 LCOMS ESCPE, 43 Bd 11 Nov, F-69616 Villeurbanne, France. EM coperet@cpe.fr RI Baudouin, Anne/B-2228-2010; OI basset, jean marie/0000-0003-3166-8882 NR 32 TC 13 Z9 13 U1 1 U2 12 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0947-6539 J9 CHEM-EUR J JI Chem.-Eur. J. PY 2008 VL 14 IS 12 BP 3523 EP 3526 DI 10.1002/chem.200800174 PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 298QS UT WOS:000255702800004 PM 18338411 ER PT J AU Martinson, ABF Hamann, TW Pellin, MJ Hupp, JT AF Martinson, Alex B. F. Hamann, Thomas W. Pellin, Michael J. Hupp, Joseph T. TI New architectures for dye-senstized solar cells SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE atomic layer; charge dynamics; dyes/pigments; nanoparticles; photovoltaic ID INTERFACIAL ELECTRON-TRANSFER; NANOCRYSTALLINE TIO2; CHARGE-TRANSFER; POLYPYRIDYL COMPLEXES; ENERGY CONVERSION; BLOCKING LAYERS; RATE CONSTANTS; RECOMBINATION; TRANSPORT; SEMICONDUCTOR AB Modern dye-sensitized solar cell (DSSC) technology was built upon nanoparticle wide bandgap semiconductor photoanodes. While versatile and robust, the sintered nanoparticle architecture exhibits exceedingly slow electron transport that ultimately restricts the diversity of feasible redox mediators. The small collection of suitable mediators limits both our understanding of an intriguing heterogeneous system and the performance of these promising devices. Recently, a number of pseudo-1D photoanodes that exhibit accelerated charge transport and greater materials flexibility were fabricated. The potential of these alternative photoanode architectures for advancing, both directly and indirectly, the performance of DSSCs is explored. C1 [Martinson, Alex B. F.; Hamann, Thomas W.; Hupp, Joseph T.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Martinson, Alex B. F.; Pellin, Michael J.] Argonne Natl Lab, Dept Mat Sci, Argonne, IL 60439 USA. RP Hupp, JT (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA. EM j-hupp@northwestern.edu RI Pellin, Michael/B-5897-2008; Hupp, Joseph/K-8844-2012; OI Pellin, Michael/0000-0002-8149-9768; Hupp, Joseph/0000-0003-3982-9812; Martinson, Alex/0000-0003-3916-1672 NR 58 TC 212 Z9 214 U1 1 U2 84 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0947-6539 J9 CHEM-EUR J JI Chem.-Eur. J. PY 2008 VL 14 IS 15 BP 4458 EP 4467 DI 10.1002/chem.200701667 PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA 306IO UT WOS:000256241700001 PM 18366042 ER PT J AU Huang, JS Sumpter, BG Meunier, V AF Huang, Jingsong Sumpter, Bobby G. Meunier, Vincent TI A universal model for nanoporous carbon supercapacitors applicable to diverse pore regimes, carbon materials, and electrolytes SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE carbon; density functional calculations; electric double layer; mesoporous materials; supercapacitors ID DOUBLE-LAYER CAPACITANCE; CARBIDE-DERIVED CARBON; ELECTROCHEMICAL CAPACITORS; ACTIVATED CARBONS; PROPYLENE CARBONATE; GAMMA-BUTYROLACTONE; NANOTUBE ELECTRODES; SURFACE-AREA; SLIT-LIKE; IONS AB Supercapacitors, 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. In response to the latest experimental breakthrough in nanoporous carbon supercapacitors, we propose a heuristic theoretical model that takes pore curvature into account as a replacement for the EDLC model, which is based on a traditional parallel-plate capacitor. When the pore size is in the mesopofe regime (2-50 nm), counterions enter mesoporous carbon materials 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) at which pores are large enough so that pore curvature is no longer significant, the EDCC model can be reduced naturally to the EDLC model. We present density functional theory calculations and detailed analyses of available experimental data in various pore regimes, which show the significant effects of pore curvature on the supercapacitor properties of nanoporous carbon materials. It is shown that the EDCC/EWCC model is universal for carbon supercapacitors with diverse carbon materials, including activated carbon materials, template carbon materials, and novel carbide-derived carbon materials, and with diverse electrolytes, including organic electrolytes, such as tetraethylammonium tetrafluoroborate (TEABF(4)) and tetraethylammonium methylsulfonate (TEAMS) in acetonitrile, aqueous H2SO4 and KOH electrolytes, and even an ionic liquid electrolyte, such as 1-ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide (EMI-TFSI). The EDCC/EWCC model allows the supercapacitor properties to be correlated with pore size, specific surface area, Debye length, electrolyte concentration and dielectric constant, and solute ion size It may lend support for the systematic optimization of the properties of carbon supercapacitors through experiments. On the basis of the insight obtained from the new model, we also discuss the effects of the kinetic solvation/desolvation process, multimodal (versus unimodal) pore size distribution, and exohedral (versus endohedral) capacitors on the electrochemical properties of supercapacitors. 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. EM huangj3@ornl.gov RI Huang, Jingsong/A-2789-2008; Meunier, Vincent/F-9391-2010; Sumpter, Bobby/C-9459-2013 OI Huang, Jingsong/0000-0001-8993-2506; Meunier, Vincent/0000-0002-7013-179X; Sumpter, Bobby/0000-0001-6341-0355 NR 75 TC 259 Z9 268 U1 44 U2 344 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0947-6539 J9 CHEM-EUR J JI Chem.-Eur. J. PY 2008 VL 14 IS 22 BP 6614 EP 6626 DI 10.1002/chem.200800639 PG 13 WC Chemistry, Multidisciplinary SC Chemistry GA 334JB UT WOS:000258217000008 PM 18576455 ER PT J AU Verat, AY Fan, HJ Pink, M Chen, YS Caulton, KG AF Verat, Alexander Y. Fan, Hongjun Pink, Maren Chen, Y. -S. Caulton, Kenneth G. TI Spin state, structure, and reactivity of terminal oxo and dioxygen complexes of the (PNP)Rh moiety SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE C-H activation; dioxygen ligands; nitrous oxide; oxo ligands; rhodium ID C-H BONDS; O-O; METAL; HYDROXO; THERMODYNAMICS; ENERGIES; LIGANDS; O-2; RH AB [Rh(III)H{(tBu(2)PCH(2)SiMe(2)-NSiMe(2)CH(2)PtBu{CMe(2)CH(2)})}], ([RhH-(PNP*)]), reacts with O(2) in the time taken to mix the reagents to form a 1:1 eta(2)-O(2) adcluct, for which O - O bond length is discussed with reference to the reducing power of [RhH(PNP*)]; DFT calculations faithfully replicate the observed O - O distance, and are used to understand the oxidation state of this coordinated O(2). The reactivity of [Rh(O(2))(PNP)] towards H(2), CO, N(2), and O(2) is tested and compared to the associated DFT reaction energies. Three different reagents effect single oxygen atom transfer to [RhH(PNP*)]. The resulting [RhO(PNP)]. characterized at and above -60 degrees C and by DFT calculations, is a ground-state triplet, is nonplanar, and reacts, above about +15 degrees C, with its own tBu C - H bond, to cleanly form a diamagnetic complex, [Rh(OH){N(SiMe(2)CH(2)PtBu(2))(SiMe(2-)CH(2)PtBu{CMe(2)CH(2)})}]. C1 [Caulton, Kenneth G.] Indiana Univ, Dept Chem, Bloomington, IN 47405 USA. Argonne Natl Lab, Argonne, IL 60439 USA. RP Caulton, KG (reprint author), Indiana Univ, Dept Chem, Bloomington, IN 47405 USA. EM caulton@indiana.edu FU National Science Foundation [NSF-CHE-0544829]; DOE [CHE0087817]; DOE-BES [W-31-109-Eng-38] FX This work was supported by the National Science Foundation (NSF-CHE-0544829) and by the DOE under grant number CHE0087817, and by the DOE-BES under contract number W-31-109-Eng-38 at the Advanced Photon Source. NR 26 TC 31 Z9 31 U1 1 U2 9 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0947-6539 J9 CHEM-EUR J JI Chem.-Eur. J. PY 2008 VL 14 IS 25 BP 7680 EP 7686 DI 10.1002/chem.200800573 PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA 346OZ UT WOS:000259079400032 PM 18680118 ER PT J AU Schelter, EJ Veauthier, JM Graves, CR John, KD Scott, BL Thompson, JD Pool-Davis-Tournear, JA Morris, DE Kiplinger, JL AF Schelter, Eric J. Veauthier, Jacqueline M. Graves, Christopher R. John, Kevin D. Scott, Brian L. Thompson, Joe D. Pool-Davis-Tournear, Jaime A. Morris, David E. Kiplinger, Jaqueline L. TI 1,4-dicyanobenzene as a scaffold for the preparation of bimetallic actinide complexes exhibiting metal-metal communication SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE actinides; bimetallic complexes; electrochemistry; electronic communication; magnetic properties ID SQUARE-WAVE VOLTAMMETRY; BIS(KETIMIDO) COMPLEXES; URANIUM(IV) COMPLEXES; ELECTRONIC-STRUCTURE; MAGNETIC-BEHAVIOR; CRYSTAL-STRUCTURE; EXCITED-STATES; CU-II; U-IV; COORDINATION AB Reaction of two equivalents of [(C(5)Me(4)Et)(2)U(CH(3))(Cl)] (6) or [(C(5)Me(5))(2)Th(CH(3))(Br)] (7) with 1.4-dicyanobenzene leads to the formation of the novel 1,4-phenytenediketimide-bridged bimetallic organoactinide complexes [1(C(5)Me(4)Et)(2)(Cl)U](2)(mu-{N=C(CH(3))-C(6)H(4)-(CH(3))C=N})] (8) and [{(C(5)Me(5))(2)(Br)-Th}(2)(mu-{N=C(CH(3))-C(6)H(4)(CH(3))C=N})] (9). respectively. These complexes were structurally characterized by single-crystal X-ray diffraction and NMR spectroscopy. Metal-metal interactions in these isovalent bimetallic systems were assessed by means of cyclic voltammetry, UV-visible/NIR absorption spectroscopy, and variable-temperature magnetic susceptibility Although evidence for magnetic coupling between metal centers in the bimetallic U(IV)/U(IV) (5f(2)-5f(2)) complex is ambiguous, the complex displays appreciable electronic communication between the metal centers through the T system of the dianionic diketimide bridging ligand, as judged by voltammetry. The transition intensities of the f-f bands for the bimetallic U(IV)/U(IV) system decrease substantially compared to the related monometallic ketimide chloride complex, [(C(5)Me(5))(2)U(Cl){-N= C(CH(3))-(3,4,5-F(3)-C(6)H(2))}] (11). Also reported herein are new synthetic routes to the actinide starting materials [(C(5)Me(4)Et)(2)U(CH(3))(Cl)] (6) and [(C(5)Me(5))(2)Th(CH(3))(Br)] (7) in addition to the syntheses and structures of the monometallic uranium complexes [(C(5)Me(4)Et)(2)UCl(2)] (3). [(C(5)Me(4)Et)(2)U- (CH(3))(2)] (4), [(C(5)Me(4)Et)(2)U{-N=C(CH(3))-C(6)H(4)-C=N}(2)] (10). and 11. C1 [Schelter, Eric J.; Veauthier, Jacqueline M.; Graves, Christopher R.; John, Kevin D.; Scott, Brian L.; Thompson, Joe D.; Pool-Davis-Tournear, Jaime A.; Morris, David E.; Kiplinger, Jaqueline L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Kiplinger, JL (reprint author), Los Alamos Natl Lab, Mail Stop J514, Los Alamos, NM 87545 USA. EM kiplinger@lanl.gov RI Schelter, Eric/E-2962-2013; Morris, David/A-8577-2012; Kiplinger, Jaqueline/B-9158-2011; Scott, Brian/D-8995-2017; OI Kiplinger, Jaqueline/0000-0003-0512-7062; Scott, Brian/0000-0003-0468-5396; Veauthier, Jacqueline/0000-0003-2206-7786; John, Kevin/0000-0002-6181-9330 FU Los Alamos National Laboratory; LANL G. T. Seaborg Institute; LANL Laboratory Directed Research & Development program; Division of Chemical Sciences, Office of Basic Energy Sciences, Heavy Element Chemistry program FX For financial support of the work, we acknowledge Los Alamos National Laboratory (Frederick Reines PD Fellowship to E.J.S. & Director's PD Fellowship to E.J.S., C.R.G. and J.A.P.D.T), the LANL G. T. Seaborg Institute (PD Fellowships to E.J.S. and C.R.G.), the LANL Laboratory Directed Research & Development program, and the Division of Chemical Sciences, Office of Basic Energy Sciences, Heavy Element Chemistry program. Jim Cruz (Los Alamos National Laboratory) is acknowledged for the cover picture artwork. NR 64 TC 28 Z9 28 U1 2 U2 11 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0947-6539 J9 CHEM-EUR J JI Chem.-Eur. J. PY 2008 VL 14 IS 26 BP 7782 EP 7790 DI 10.1002/chem.200800585 PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 352US UT WOS:000259523500009 PM 18688839 ER PT J AU Liu, GD Wang, J Barry, R Petersen, C Timchalk, C Gassman, PL Lin, YH AF Liu, Guodong Wang, Jun Barry, Richard Petersen, Catherine Timchalk, Charles Gassman, Paul L. Lin, Yuehe TI Nanoparticle-Based Electrochemical Immunosensor for the Detection of Phosphorylated Acetylcholinesterase: An Exposure Biomarker of Organophosphate Pesticides and Nerve Agents SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE acetylcholinesterase; immunochemistry; nanoparticles; organophosphate pesticides; sensors ID MASS-SPECTROMETRIC ANALYSIS; CHEMICAL WARFARE AGENTS; BISMUTH FILM ELECTRODE; RETROSPECTIVE DETECTION; METHYLPHOSPHONIC ACID; DEGRADATION-PRODUCTS; HYDROLYTIC ENZYMES; PARAOXON DETECTION; SULFUR MUSTARD; INHIBITION AB A nanoparticle-based electrochemical immunosensor has been developed for the detection of phosphorylated acetylcholinesterase (AChE), which is a potential biomarker of exposure to organophosphate (OP) pesticides and chemical warfare nerve agents. Zirconia nanoparticles (ZrO2, NPs) were used as selective sorbents to capture the phosphorylated AChE adduct, and quantum dots (ZnS@CdS, QDs) were used as tags to label monoclonal anti-AChE antibody to quantify the immunorecognition events. The sandwich-like immunoreactions were performed among the ZrO2 NPs, which were pre-coated on a screen printed electrode (SPE) by electrodeposition, phosphorylated AChE and QD-anti-AChE. The captured OD tags were determined on the SPE by electrochemical stripping analysis of its metallic component (cadmium) after an acid-dissolution step. Paraoxon was used as the model OP insecticide to prepare the phosphorylated AChE adducts to demonstrate proof of principle for the sensor. The phosphorylated AChE adduct was characterized by Fourier transform infrared spectroscopy (FTIR) and mass spectroscopy. The binding affinity of anti-AChE to the phosphorylated AChE was validated with an enzyme-linked immunosorbent assay. The parameters (e.g., amount of ZrO2 NP, QD-anti-AChE concentration,) that govern the electrochemical response of immunosensors were optimized. The voltammetric response of the immunosensor is highly linear over the range of 10 pm to 4 nm phosphorylated AChE, and the limit of detection is estimated to be 8.0 pm. The immunosensor also successfully detected phosphorylated AChE in human plasma. This new nanoparticle-based electrochemical immunosensor provides an opportunity to develop field-deployable, sensitive, and quantitative biosensors for monitoring exposure to a variety of OP pesticides and nerve agents. C1 [Liu, Guodong; Wang, Jun; Barry, Richard; Petersen, Catherine; Timchalk, Charles; Gassman, Paul L.; Lin, Yuehe] Pacific NW Natl Lab, Richland, WA 99352 USA. [Liu, Guodong] N Dakota State Univ, Dept Chem & Mol Biol, Fargo, ND 58105 USA. RP Lin, YH (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM yuehe.lin@pnl.gov RI Lin, Yuehe/D-9762-2011 OI Lin, Yuehe/0000-0003-3791-7587 FU National Institutes of Health Counter-ACT Program through the National Institute of Neurological Disorders and Strokes [NS058161-01]; CDC/NIOSH [R01 OH008173-01]; Environmental Molecular Sciences Laboratory; Environmental Research and located at Pacific Northwest National Laboratory [DE-AC05-76 L01830] FX This work was supported by the National Institutes of Health Counter-ACT Program through the National Institute of Neurological Disorders and Strokes (award No. NS058161-01) and partially by CDC/NIOSH Grant R01 OH008173-01. We thank Andrea Busby for performing the Ellman assays in this study. The research described in this paper was performed at the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by DOE's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, which is operated by Battelle for DOE under Contract DE-AC05-76 L01830. Its contents are solely the responsibility of the authors and do not necessarily represent the official views of the federal government. NR 48 TC 77 Z9 79 U1 4 U2 64 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0947-6539 EI 1521-3765 J9 CHEM-EUR J JI Chem.-Eur. J. PY 2008 VL 14 IS 32 BP 9951 EP 9959 DI 10.1002/chem.20080041.2 PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 374WQ UT WOS:000261074800019 PM 18942695 ER PT J AU Sponer, JE Sumpter, BG Leszczynski, J Sponer, J Fuentes-Cabrera, M AF Sponer, Judit E. Sumpter, Bobby G. Leszczynski, Jerzy Sponer, Jiri Fuentes-Cabrera, Miguel TI Theoretical Study on the Factors Controlling the Stability of the Borate Complexes of Ribose, Arabinose, Lyxose, and Xylose SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE borates; carbohydrates; density functional calculations; genetic material; RNA ID GAS-PHASE; ENERGIES; RNA; EVOLUTION; SUGARS; MODEL AB Recent experimental studies suggest that complexation with borate minerals stabilizes ribose, and that the borate complex of ribose is more stable than those of related aldopentoses, that is, arabinose, lyxose, and xylose. These findings have revived the debate on the plausibility of the RNA-world theory, because the), provide an explanation for the stabilization and selection of ribose in prebiotic conditions. In this paper we unravel the factors that make the ribose-borate complex the most stable one. For this purpose, we have investigated the structure and stability of the ribose-, arabinose-, lyxose-, and xylose-borate complexes using density functional theory and a continuum solvent approach. The computed results reveal that in the aldopentose-borate complexes, the electrostatic field of the borate is strong enough to change the orientation of the nearby hydroxyl groups compared to noncomplexed aldopentoses. In addition, we show that the distinct stability of the ribose-borate 2:1 complex can be attributed to 1) a strong hydrogen bond between the ribose 3-OH and one of the negatively charged borate oxygen atoms, and 2) a favorable contact between the aqueous medium and the 5-CH2OH group due to the space separation between the 5-CH2OH group and the borate anion. C1 [Sponer, Judit E.; Sponer, Jiri] Acad Sci Czech Republic, Inst Biophys, CS-61265 Brno, Czech Republic. [Sumpter, Bobby G.; Fuentes-Cabrera, Miguel] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Sumpter, Bobby G.; Fuentes-Cabrera, Miguel] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. [Leszczynski, Jerzy] Jackson State Univ, Dept Chem, Computat Ctr Mol Struct & Interact, Jackson, MS 39217 USA. RP Sponer, JE (reprint author), Acad Sci Czech Republic, Inst Biophys, Kralovopolska 135, CS-61265 Brno, Czech Republic. EM judit@ncbr.chemi.muni.cz; fuentecscabma@ornl.gov RI Sponer, Jiri/D-9467-2012; Sponer, Judit/D-9918-2012; Sumpter, Bobby/C-9459-2013; Fuentes-Cabrera, Miguel/Q-2437-2015 OI Sumpter, Bobby/0000-0001-6341-0355; Fuentes-Cabrera, Miguel/0000-0001-7912-7079 FU Academy of Sciences of the Czech Republic [IAA400550701, IAA400040802, 1QS500040581, AVOZ50040507, AVOZ50040702]; Ministry of Education of the Czech Republic [LC06030]; NSF Chemical Bonding Center [0739189]; Center for Nanophase Materials Sciences; Division of Scientific User Facilities; U.S Department of Energy (USDOE) (BGS, MFC) FX This contribution was supported by the Grant Agency of the Academy of Sciences of the Czech Republic, grants IAA400550701, IAA400040802, 1QS500040581, by the Academy of Sciences of the Czech Republic, grants AVOZ50040507 and AVOZ50040702, the Ministry of Education of the Czech Republic, grant LC06030, as well as NSF Chemical Bonding Center, grant 0739189. Work at Oak Ridge National Laboratory (ORNL) was supported by the Center for Nanophase Materials Sciences, sponsored by the Division of Scientific User Facilities, U.S Department of Energy (USDOE) (BGS, MFC). NR 27 TC 21 Z9 21 U1 2 U2 18 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 0947-6539 EI 1521-3765 J9 CHEM-EUR J JI Chem.-Eur. J. PY 2008 VL 14 IS 32 BP 9990 EP 9998 DI 10.1002/chem.200800961 PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 374WQ UT WOS:000261074800023 PM 18810746 ER PT J AU Neville, SM Leita, BA Halder, GJ Kepert, CJ Moubaraki, B Letard, JF Murray, KS AF Neville, Suzanne M. Leita, Benjamin A. Halder, Gregory J. Kepert, Cameron J. Moubaraki, Boujemaa Letard, Jean-Francois Murray, Keith S. TI Understanding the Two-Step Spin-Transition Phenomenon in Iron(II) 1D Chain Materials SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE 1D chain; chain structures; iron; magnetic properties; spin crossover ID MOLECULAR-BASED MATERIALS; CROSSOVER COMPLEXES; COORDINATION POLYMERS; CRITICAL-TEMPERATURE; FRAMEWORK MATERIAL; PHASE-TRANSITIONS; CRYSTAL-STRUCTURE; SPACER LENGTH; COMPOUND; LIGHT AB Three analogous one dimensional (1D) polymeric iron(II) spin crossover (SCO) materials containing the new ligand 4,6-bis(2',2"-pyridyl)pyrazine (bdpp) have been comprehensively characterised magnetically (thermal and light-induced) and structurally. Within this series are two polymorphs of the formula [Fe(NCS)(2)(bdpp)], 1 and 2a, which differ magnetically in that phase 1. undergoes a full two-step SCO (T(1/2(1)) = 135K and T(1/2(2)) = 90 K) whereas phase 2a remains high spin (HS) over all temperatures. The central distinction between these two materials lies in the presence of intermolecular pi-pi interactions generated by the crystal packing in 1, which are absent in 2a. The isostructural selenocyanate analogue of 2a, [Fe(NCSe)(2)(bdpp)], 2b, undergoes a full two-step SCO (T(1/2(1)) = 200K and T(1/2(2)) = 125 K). Structural analyses of 1 and 2b at a range of temperatures provide deep insight into their two-step SCO nature. Structural analysis of 1 at 25 K (1(LS-LS)), 123 K (1(LS-HS)) and 250 K (1(HS-HS)) reveals two distinct iron(II) centres at each temperature, with ordered, alternating HS and LS (low spin) sites at the intermediate plateau (1P) temperatures. In contrast, structural analysis of 2b at 90 K (2b(LS)), 150 K (2b(LS/HS)) and 250 K (2b(HS)) reveals one unique iron(II) centre at each temperature with an "averaged" LS/HS character at the IP temperature. Weak planes of diffuse scattering in the single-crystal X-ray diffraction patterns were observed for this phase at 90 and 150 K, indicating that ID long range ordering of alternating HS/LS iron(II) centres occurs along the ID coordination chains, but that there is no correlation between chains. The lack of observable diffuse scattering at 250 K suggests that the onset of the 1D structural ordering in the chain direction corresponds to the first step of the SCO and that this structural transition is electronically driven. The photomagnetic properties of both 1 and 2b have been investigated and show approximate to 62 and 53% photo-excitation of a HS metastable state at low temperatures and T(LIESST) values of 55 and 49 K, respectively. Relaxation studies on the HS fraction in 2b fitted well to a stretched exponential model with kinetic parameters indicative of weak cooperativity. C1 [Neville, Suzanne M.; Leita, Benjamin A.; Moubaraki, Boujemaa; Murray, Keith S.] Monash Univ, Sch Chem, Clayton, Vic 3800, Australia. [Halder, Gregory J.; Kepert, Cameron J.] Univ Sydney, Sch Chem, Sydney, NSW 2006, Australia. [Halder, Gregory J.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Letard, Jean-Francois] Univ Bordeaux 1, CNRS,UPR 9048, ICMCB, Lab Sci Mol, F-33608 Pessac, France. RP Neville, SM (reprint author), Monash Univ, Sch Chem, Bldg 23, Clayton, Vic 3800, Australia. EM keith.murray@sci.monash.edu.au RI neville, suzanne/B-4531-2013; Halder, Gregory/C-5357-2013; neville, suzanne/B-2254-2016; OI neville, suzanne/0000-0003-4237-4046; Kepert, Cameron/0000-0002-6105-9706 FU The Australian Research Council, ARC; LIESST; French-Australia FAST/DEST FX The Australian Research Council, ARC. is thanked for providing a Discovery Grant to Support this work. Financial support for the photomagnetic LIESST work was kindly provided by a French-Australia FAST/DEST grant and this allowed the Australian participants to travel to Bordeaux to carry out measurements. The authors Would also like to thank the Aquitaine Region for supporting the development of the international platform of photomagnetism. NR 61 TC 69 Z9 69 U1 1 U2 28 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0947-6539 J9 CHEM-EUR J JI Chem.-Eur. J. PY 2008 VL 14 IS 32 BP 10123 EP 10133 DI 10.1002/chem.200800886 PG 11 WC Chemistry, Multidisciplinary SC Chemistry GA 374WQ UT WOS:000261074800037 PM 18803203 ER PT J AU Koshkakaryan, G Parimal, K He, JM Zhang, XY Abliz, Z Flood, AH Liu, Y AF Koshkakaryan, Gayane Parimal, Kumar He, Jiuming Zhang, Xiyun Abliz, Zeper Flood, Amar H. Liu, Yi TI pi-Stacking Enhanced Dynamic and Redox-Switchable Self-Assembly of Donor-Acceptor Metallo-[2]Catenanes from Diimide Derivatives and Crown Ethers SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Review DE catenanes; coordination; donor-acceptor system; stacking interactions; supramolecular chemistry ID MOLECULAR INFORMATION RATCHET; RING-CLOSING METATHESIS; TEMPLATED SYNTHESIS; TETRATHIAFULVALENE UNIT; COMBINATORIAL LIBRARIES; PHOTOCHEMICALLY DRIVEN; THERMODYNAMIC CONTROL; BISTABLE ROTAXANES; OLEFIN METATHESIS; ELECTRON-TRANSFER C1 [Koshkakaryan, Gayane; Liu, Yi] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Parimal, Kumar; Flood, Amar H.] Indiana Univ, Dept Chem, Bloomington, IN 47405 USA. [He, Jiuming; Abliz, Zeper] Chinese Acad Med Sci, Inst Mat Med, Beijing 100050, Peoples R China. [He, Jiuming; Abliz, Zeper] Peking Union Med Coll, Beijing 100050, Peoples R China. [Zhang, Xiyun] Codexis Inc, Redwood City, CA 94063 USA. RP Liu, Y (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM yliu@lbl.gov RI Liu, yi/A-3384-2008; Flood, Amar/B-3863-2016 OI Liu, yi/0000-0002-3954-6102; FU U. S. Department of Energy [DE-AC02-05 CH11231] 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. NR 125 TC 34 Z9 34 U1 0 U2 19 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0947-6539 J9 CHEM-EUR J JI Chem.-Eur. J. PY 2008 VL 14 IS 33 BP 10211 EP 10218 DI 10.1002/chem.20081590 PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA 381TS UT WOS:000261559400006 PM 18855953 ER PT J AU Aromi, G Bouwman, E Burzuri, E Carbonera, C Krzystek, J Luis, F Schlegel, C van Slageren, J Tanase, S Teat, SJ AF Aromi, Guillem Bouwman, Elisabeth Burzuri, Enrique Carbonera, Chiara Krzystek, J. Luis, Fernando Schlegel, Christoph van Slageren, Joris Tanase, Stefania Teat, Simon J. TI A Novel Ni-4 Complex Exhibiting Microsecond Quantum Tunneling of the Magnetization SO CHEMISTRY-A EUROPEAN JOURNAL LA English DT Article DE cluster compounds; magnetic properties; nickel; quantum tunneling; relaxation ID SINGLE-MOLECULE MAGNETS; GEM-DIOL FORM; CRYSTAL-STRUCTURES; SPIN CLUSTERS; COPPER(II) COMPLEXES; DI-2-PYRIDYL KETONE; CUBANE COMPLEXES; LOW-TEMPERATURES; NICKEL; LIGANDS AB A highly asymmetric N-II cluster [Ni-4(OH)(OMe)(3)(Hphpz)(4)(MeOH)(3)](MeOH) (1) (H(2)phpz = 3-methyl-5-(2-hydroxyphenyl)pyrazole) has been prepared and its structure determined by means of single-crystal X-ray diffraction by using synchrotron radiation. Variable-temperature bulk-magnetization measurements show that the complex exhibits intramolecular ferromagnetic interactions leading to a spin ground state S=4 with close-lying excited states. Magnetization and high-frequency EPR measurements suggest the presence of sizable Ising-type magnetic anisotropy, with zero-field splitting parameters D = -0.263 cm(-1) and E = 0.04 cm(-1) for the spin ground state, and an isotropic g value of 2.25. The presence of both axial and transverse anisotropy was confirmed through low-temperature specific heat determinations down to 300 mK, but no slow relaxation of the magnetization was observed by AC measurements down to 1.8 K. Interestingly, AC susceptibility measurements down to temperatures as low as 23 mK showed no indication of slow relaxation of the magnetization in 1. Thus, despite the presence of an anisotropy barrier (U approximate to 4.21 cm(-1) for the purely axial limit), the magnetization relaxation remains extremely fast down to the lowest temperatures. The estimated quantum tunneling rate, Gamma > 0.667 MHz, makes this complex a prime candidate for observation of coherent tunneling of the magnetization. C1 [Aromi, Guillem] Univ Barcelona, Fac Quim, Dept Quim Inorgan, E-08028 Barcelona, Spain. [Bouwman, Elisabeth; Tanase, Stefania] Leiden Univ, Leiden Inst Chem, Gorlaeus Labs, NL-2300 RA Leiden, Netherlands. [Burzuri, Enrique; Carbonera, Chiara; Luis, Fernando] Univ Zaragoza, CSIC, Inst Ciencia Mat Aragon, E-50009 Zaragoza, Spain. [Burzuri, Enrique; Carbonera, Chiara; Luis, Fernando] Dept Fis Mat Condensada, Zaragoza 50009, Spain. [Krzystek, J.] Florida State Univ, Natl High Magnet Field Lab, Tallahassee, FL 32310 USA. [Schlegel, Christoph; van Slageren, Joris] Univ Stuttgart, Inst Phys 1, D-70550 Stuttgart, Germany. [van Slageren, Joris] Univ Nottingham, Sch Chem, Nottingham NG7 2RD, England. [Teat, Simon J.] SERC, Daresbury Lab, Warrington WA4 4AD, Cheshire, England. [Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Light Source, Berkeley, CA 94720 USA. RP Aromi, G (reprint author), Univ Barcelona, Fac Quim, Dept Quim Inorgan, Diagonal 647, E-08028 Barcelona, Spain. EM guillem.aromi@qi.ub.cs; Joris.Van.Slageren@nottingham.ac.uk RI LUIS, Fernando/E-9108-2011; Aromi, Guillem/I-2483-2015; Tanase, Stefania/E-9933-2010; Bouwman, Elisabeth/D-1637-2010; OI LUIS, Fernando/0000-0001-6284-0521; Aromi, Guillem/0000-0002-0997-9484; Bouwman, Elisabeth/0000-0001-7762-3968; Burzuri, Enrique/0000-0001-7906-7192 FU German Science Foundation (DFG); German Academic Exchange Service (DAAD); NAMESBI; MOLBIT; Integrated Action between Spain and Germany [HA2006-0051]; Network of Excellence MAGMANet; National Science Foundation [DMR 0654119]; State of Florida FX Financial support from the following sources is gratefully acknowledged: German Science Foundation (DFG), German Academic Exchange Service (DAAD), Project NAMESBI (Spanish Strategic Action on Nanoscience and Nanotechnology), Project MOLBIT (Spanish Ministry of Science and Education), Integrated Action between Spain and Germany (HA2006-0051), and Network of Excellence MAGMANet. NHMFL is supported by the National Science Foundation (Cooperative Agreement DMR 0654119) and the State of Florida. We thank A. Ozarowski and S. Stoll for the EPR simulation software. NR 65 TC 27 Z9 27 U1 3 U2 20 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0947-6539 EI 1521-3765 J9 CHEM-EUR J JI Chem.-Eur. J. PY 2008 VL 14 IS 35 BP 11158 EP 11166 DI 10.1002/chem.200801450 PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 387DX UT WOS:000261933000034 PM 18972463 ER PT J AU Zhu, YH Lee, C Kemp, RA Hosmane, NS Maguire, JA AF Zhu, Yinghuai Lee, Cjin Nong Kemp, Richard A. Hosmane, Narayan S. Maguire, John A. TI Latest developments in the catalytic application of nanoscaled neutral Group 8-10 metals SO CHEMISTRY-AN ASIAN JOURNAL LA English DT Review DE C-C coupling; ionic liquids; isotopic labeling; nanostructures; transition metals ID IMIDAZOLIUM IONIC LIQUIDS; SUPPORTED PALLADIUM NANOPARTICLES; STABILIZED RH(0) NANOCLUSTERS; MODIFIED MESOPOROUS SILICA; CROSS-COUPLING REACTIONS; WALLED CARBON NANOTUBE; FUEL-CELL APPLICATIONS; PLATINUM NANOPARTICLES; PD NANOPARTICLES; ENANTIOSELECTIVE HYDROGENATION AB In the last few decades, the synthesis and catalytic application of nanoscaled particles prepared from Group 8-10 (formerly Group VIIIB) elements have been widely explored and have achieved promising results. The innovative use of these nanoparticle catalysts may provide new opportunities in the efficient combination of conventionally used homogenous and heterogeneous catalysts. Conventional homogeneous catalysts pose extraction and recycling difficulties when dealing with metal complexes and/or ligands, whereas heterogeneous catalysts generally require more pressing experimental conditions, such as high temperatures and high pressures, to be effective. Therefore, to solve these problems, the synthesis and use of nanoparticle catalysts as replacements for conventional catalytic systems is a breakthrough owing to their improved handling and environmental and economic aspects. This Focus Review primarily addresses the catalytic applications of neutral Group 8-10 nanoparticles with an average size of less than 10 nm, and also includes a discussion of commonly used synthetic methodology. C1 [Zhu, Yinghuai; Lee, Cjin Nong] ICES, Singapore 627833, Singapore. [Kemp, Richard A.] Univ New Mexico, Dept Chem & Chem Biol, Albuquerque, NM 87131 USA. [Kemp, Richard A.] Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA. [Hosmane, Narayan S.] No Illinois Univ, Dept Chem & Chem Biol, De Kalb, IL 60115 USA. [Maguire, John A.] So Methodist Univ, Dept Chem, Dallas, TX 75275 USA. RP Zhu, YH (reprint author), ICES, 1 Pesek Rd, Singapore 627833, Singapore. EM zhuz_inghuai@ices.a-star.edu.sg NR 157 TC 31 Z9 31 U1 1 U2 25 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1861-4728 J9 CHEM-ASIAN J JI Chem.-Asian J. PY 2008 VL 3 IS 4 BP 650 EP 662 DI 10.1002/asia.200800005 PG 13 WC Chemistry, Multidisciplinary SC Chemistry GA 293QG UT WOS:000255349200001 PM 18348146 ER PT J AU Monnard, PA Ziock, H AF Monnard, Pierre-Alain Ziock, Hans TI Eutectic phase in water-ice: A self-assembled environment conducive to metal-catalyzed non-enzymatic RNA polymerization SO CHEMISTRY & BIODIVERSITY LA English DT Article; Proceedings Paper CT 13th International Conference on Biological Inorganic Chemistry CY JUL 15-20, 2007 CL Vienna, AUSTRIA ID TEMPLATE-DIRECTED SYNTHESIS; HAIRPIN OLIGONUCLEOTIDES; MONTMORILLONITE CATALYSIS; PREBIOTIC SYNTHESIS; COLD ORIGIN; LIFE; LIGATION; NUCLEOTIDES; RESIDUES; WORLD AB Information and catalytic polymers play an essential role in Contemporary cellular life, and their emergence must have been crucial during the complex processes that led to the assembly of the first living systems. Polymerization reactions producing these Molecules Would have had to occur in aqueous medium, which is known to disfavor such reactions. Thus. it was Proposed early on that these polymerizations had to be Supported by particular environments, such as mineral Surfaces and eutectic phases in water-ice, which would have led to the concentration of the monomers out of the bulk aqueous medium and their condensation. This review presents the work conducted to understand how the eutectic phases in water-ice might have promoted RNA Polymerization, thereby Presumably contributing to the emergence of the ancient information and catalytic system envisioned by the 'RNA-World' hypothesis. C1 [Monnard, Pierre-Alain; Ziock, Hans] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Monnard, PA (reprint author), Univ So Denmark, Dept Chem & Phys, Ctr Fundamental Living Technol FLinT, Campusvej 55, DK-5230 Odense M, Denmark. EM monnard@ifk.sdu.dk NR 62 TC 14 Z9 15 U1 0 U2 13 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1612-1872 J9 CHEM BIODIVERS JI Chem. Biodivers. PY 2008 VL 5 IS 8 BP 1521 EP 1539 DI 10.1002/cbdv.200890141 PG 19 WC Biochemistry & Molecular Biology; Chemistry, Multidisciplinary SC Biochemistry & Molecular Biology; Chemistry GA 345CL UT WOS:000258973500009 PM 18729089 ER PT J AU Luo, W D'Angelo, EM Coyne, MS AF Luo, Wensui D'Angelo, Efisa M. Coyne, Mark S. TI Organic carbon effects on aerobic polychlorinated biphenyl removal and bacterial community composition in soils and sediments SO CHEMOSPHERE LA English DT Article DE biphenyl; salicylic acid; glucose; PCB; denaturing gradient gel electrophoresis ID GEL-ELECTROPHORESIS ANALYSIS; DEGRADING BACTERIA; BIODEGRADATION; METABOLITES; INDUCTION; DIVERSITY AB Certain organic compounds, including biphenyl and salicylic acid, stimulate polychlorinated biphenyl (PCB) degradation by microorganisms in some environments. However, the usefulness of these amendments for improving PCB removal by microorganisms from diverse habitats has not been extensively explored. This study evaluated the effects of biphenyl, salicylic acid, and glucose on changes in aerobic PCB removal and bacterial communities from an agricultural soil, a wetland peat soil, a river sediment, and a mixture of these samples. PCB removal patterns were significantly different between soils and sediments amended with carbon compounds: (i) terrestrial soil microorganisms removed more PCBs than river sediment microorganisms, particularly with regard to PCBs with >4 chlorine substituents, (ii) glucose-supplemented, agricultural soil microorganisms removed more hexachlorobiphenyl than unsupplemented samples, (iii) biphenyl-supplemented, river sediment microorganisms removed more di- and tri-chlorobiphenyls than unamended samples. Carbon amendments also caused unique shifts in soil and sediment bacterial communities, as determined by specific changes in bacterial 16S rRNA denaturing gradient gel electrophoresis banding patterns. These results indicate that organic carbon amendments had site-specific effects on bacterial populations and PCB removal. Further work is needed to more accurately characterize PCB degrading communities and functional gene expression in diverse types of environments to better understand how they respond to bioremediation treatments. (C) 2007 Elsevier Ltd. All rights reserved. C1 [Luo, Wensui; D'Angelo, Efisa M.; Coyne, Mark S.] Univ Kentucky, Dept Plant & Soil Sci, Soil & Water Biogeochem Lab, Lexington, KY 40546 USA. [Luo, Wensui] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Luo, W (reprint author), Univ Kentucky, Dept Plant & Soil Sci, Soil & Water Biogeochem Lab, Lexington, KY 40546 USA. EM wensuil@yahoo.com NR 27 TC 21 Z9 24 U1 0 U2 19 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0045-6535 J9 CHEMOSPHERE JI Chemosphere PD JAN PY 2008 VL 70 IS 3 BP 364 EP 373 DI 10.1016/j.chemosphere.2007.07.022 PG 10 WC Environmental Sciences SC Environmental Sciences & Ecology GA 261YH UT WOS:000253115400004 PM 17870145 ER PT J AU Shiju, NR Guliants, VV Overbury, SH Rondinone, AJ AF Shiju, N. Raveendran Guliants, Vadim V. Overbury, Steven H. Rondinone, Adam J. TI Toward Environmentally Benign Oxidations: Bulk Mixed Mo-V-(Te-Nb)-O M1 Phase Catalysts for the Selective Ammoxidation of Propane SO CHEMSUSCHEM LA English DT Article DE C3 feedstocks; heterogeneous catalysis; oxidation; structure elucidation ID (AMM)OXIDATION CATALYSTS; MOVTE(SB)NBO CATALYSTS; OXIDE CATALYSTS; ACTIVE-CENTERS; ACRYLIC-ACID; O-X; M2 C1 [Shiju, N. Raveendran; Guliants, Vadim V.] Univ Cincinnati, Dept Chem & Mat Engn, Cincinnati, OH 45221 USA. [Overbury, Steven H.; Rondinone, Adam J.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Shiju, NR (reprint author), Univ Cincinnati, Dept Chem & Mat Engn, Cincinnati, OH 45221 USA. EM rondinoneaj@ornl.gov RI Rondinone, Adam/F-6489-2013; Overbury, Steven/C-5108-2016; OI Rondinone, Adam/0000-0003-0020-4612; Overbury, Steven/0000-0002-5137-3961; Raveendran, Shiju/0000-0001-7943-5864 FU Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy [DE-FG02-04ER15604] FX This research was supported by the Chemical Sciences, Geosciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy (grant no. DE-FG02-04ER15604). This research was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Division of Scientific User Facilities, U.S. Department of Energy. NR 19 TC 9 Z9 9 U1 1 U2 19 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1864-5631 J9 CHEMSUSCHEM JI ChemSusChem PY 2008 VL 1 IS 6 BP 519 EP 523 DI 10.1002/cssc.200800039 PG 5 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA 443LR UT WOS:000265912100005 PM 18702149 ER PT J AU Liu, J Cao, GZ Yang, ZG Wang, DH Dubois, D Zhou, XD Graff, GL Pederson, LR Zhang, JG AF Liu, Jun Cao, Guozhong Yang, Zhenguo Wang, Donghai Dubois, Dan Zhou, Xiaodong Graff, Gordon L. Pederson, Larry R. Zhang, Ji-Guang TI Oriented Nanostructures for Energy Conversion and Storage SO CHEMSUSCHEM LA English DT Review DE energy conversion; energy storage; materials science; nanostructures ID SENSITIZED SOLAR-CELLS; TIO2 NANOTUBE-ARRAYS; LITHIUM-ION BATTERIES; MULTIPLE EXCITON GENERATION; ZNO NANOWIRE ARRAYS; DIMENSIONAL THERMOELECTRIC-MATERIALS; ACCEPTOR CONJUGATED POLYMERS; MULTIWALLED CARBON NANOTUBES; NANOCRYSTALLINE RUTILE TIO2; HYDROUS RUTHENIUM OXIDE AB Recently, the role of nonostructured materials in addressing the challenges in energy and natural resources has attracted wide attention. In particular, oriented nonostructures demonstrate promising properties for energy harvesting, conversion, and storage. In this Review, we highlight the synthesis and application of oriented nanostructures in a few key areas of energy technologies, namely photovoltaics, batteries, supercapacitors, and thermoelectrics. Although the applications differ from field to field, a common fundamental challenge is to improve the generation and transport of electrons and ions. We highlight the role of high surface area to maximize the surface activity and discuss the importance of optimum dimension and architecture, controlled pore channels, and alignment of the nonocrystalline phase to optimize the transport of electrons and ions. Finally, we discuss the challenges in attaining integrated architectures to achieve the desired performance. Brief background information is provided for the relevant technologies, but the emphasis is focused mainly on the nanoscale effects of mostly inorganic-based materials and devices. C1 [Liu, Jun; Yang, Zhenguo; Wang, Donghai; Dubois, Dan; Zhou, Xiaodong; Graff, Gordon L.; Pederson, Larry R.; Zhang, Ji-Guang] Pacific NW Natl Lab, Richland, WA 99352 USA. [Cao, Guozhong] Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98195 USA. RP Liu, J (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM jun.liu@pnl.gov; gzcao@u.washington.edu; zgary.yang@pnl.gov RI Cao, Guozhong/E-4799-2011; Wang, Donghai/L-1150-2013 OI Wang, Donghai/0000-0001-7261-8510 FU Pacific Northwest National Laboratory; Office of Basic Energy Sciences; U.S. Deportment of Energy (DOE); Battelle Memorial Institute for the Deportment of Energy [DE-AC05-76 L01830]; University of Washington; National Science Foundation [DMI-0455994, DMR-0605159]; Air Force Office of Scientific Research [FA9550-06-1-032]; Department of Energy [DE-FG02-07ER46467]; Washington Technology Center; Washington Research Foundation; EnerG2, LLC FX The work performed at the Pacific Northwest National Laboratory (PNNL) was supported by the Laboratory-Directed Research and Development Program of the Pacific Northwest National Laboratory and by the Office of Basic Energy Sciences, U.S. Deportment of Energy (DOE). PNNL is a multiprogram laboratory operated by the Battelle Memorial Institute for the Deportment of Energy under contract DE-AC05-76 L01830. The work at the University of Washington was supported in port by the National Science Foundation (DMI-0455994 and DMR-0605159), Air Force Office of Scientific Research (AFOSR-MURI, FA9550-06-1-032), Department of Energy (DE-FG02-07ER46467), Washington Technology Center, Washington Research Foundation, and EnerG2, LLC. NR 306 TC 249 Z9 250 U1 35 U2 330 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1864-5631 J9 CHEMSUSCHEM JI ChemSusChem PY 2008 VL 1 IS 8-9 BP 676 EP 697 DI 10.1002/cssc.200800087 PG 22 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA 443LW UT WOS:000265912600002 PM 18693284 ER PT J AU Idriss, H Scott, M Llorca, J Chan, SC Chiu, W Sheng, PY Yee, A Blackford, MA Pas, SJ Hill, AJ Alamgir, FM Rettew, R Petersburg, C Senanayake, SD Barteau, MA AF Idriss, Hicham Scott, Morgan Llorca, Jordi Chan, Sze C. Chiu, William Sheng, Po-Yo Yee, Anna Blackford, Mark A. Pas, Steve J. Hill, Anita J. Alamgir, Faisal M. Rettew, Robert Petersburg, Cole Senanayake, Sanjaya D. Barteau, Mark A. TI A Phenomenological Study of the Metal-Oxide Interface: The Role of Catalysis in Hydrogen Production from Renewable Resources SO CHEMSUSCHEM LA English DT Article DE heterogeneous catalysis; hydrogen; interfaces; supported catalysts; transition metals ID LIFETIME SPECTRA; ETHANOL; HYDROCARBONS; STEAM; BOND C1 [Idriss, Hicham; Scott, Morgan; Chiu, William; Sheng, Po-Yo; Yee, Anna] Univ Auckland, Dept Chem, Auckland, New Zealand. [Idriss, Hicham] Univ Aberdeen, Dept Chem, Aberdeen AB24 3UE, Scotland. [Idriss, Hicham] Robert Gordon Univ, Aberdeen AB24 3UE, Scotland. [Llorca, Jordi] Tech Univ Catalonia, Ed ETSEIBC, Barcelona 08028, Spain. [Chan, Sze C.; Blackford, Mark A.] Univ Delaware, Dept Chem Engn, Newark, DE 19716 USA. [Blackford, Mark A.] Australian Nucl Sci & Technol Org, Inst Mat & Engn Sci, Menai, NSW 2234, Australia. [Pas, Steve J.; Hill, Anita J.] CSIRO Mat Sci & Engn, Clayton, Vic 3168, Australia. [Pas, Steve J.; Hill, Anita J.] Monash Univ, Sch Chem, Clayton, Vic 3800, Australia. [Pas, Steve J.; Hill, Anita J.] Monash Univ, Dept Mat Engn, Clayton, Vic 3800, Australia. [Alamgir, Faisal M.; Rettew, Robert; Petersburg, Cole] Georgia Inst Technol, Sch Mat Sci & Technol, Atlanta, GA 30319 USA. [Senanayake, Sanjaya D.] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. RP Idriss, H (reprint author), Univ Auckland, Dept Chem, Private Bag 92019, Auckland, New Zealand. EM h.idriss@auckland.ac.nz RI Hill, Anita/B-9231-2011; Pas, Steven/F-6516-2013; Llorca, Jordi/M-8134-2014; Senanayake, Sanjaya/D-4769-2009; OI Llorca, Jordi/0000-0002-7447-9582; Senanayake, Sanjaya/0000-0003-3991-4232; Alamgir, Faisal/0000-0002-0894-8096 FU Spanish Ministry of Science [PC12006-A7-0539] FX J.L. acknowledges a grant from the Spanish Ministry of Science (PC12006-A7-0539). This research was carried out in part at the National Synchrotron Light Source, Brookhaven National Laboratory, which is supported by the US Department of Energy, Division of Materials Sciences and Division of Chemical Sciences. NR 23 TC 59 Z9 59 U1 6 U2 25 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1864-5631 J9 CHEMSUSCHEM JI ChemSusChem PY 2008 VL 1 IS 11 BP 905 EP 910 DI 10.1002/cssc.200800196 PG 6 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA 443LZ UT WOS:000265912900004 PM 18988246 ER PT J AU Starrfield, S Iliadis, C Hix, WR AF Starrfield, Sumner Iliadis, Christian Hix, W. Raphael BE Bode, MF Evans, A TI Thermonuclear processes SO CLASSICAL NOVAE, 2ND EDITION SE Cambridge Astrophysics Series LA English DT Article; Book Chapter ID ACCRETING WHITE-DWARFS; HYDROGEN SHELL FLASHES; X-RAY SOURCES; POSSESSING ANGULAR-MOMENTUM; NUCLEAR-REACTION RATES; LARGE MAGELLANIC CLOUD; NOVA V1974 CYGNI; CLASSICAL NOVAE; IA SUPERNOVAE; EVOLUTIONARY SEQUENCES C1 [Starrfield, Sumner] Arizona State Univ, Sch Earth & Space Explorat, Tempe, AZ 85287 USA. [Iliadis, Christian] Univ N Carolina, Dept Phys & Astron, Chapel Hill, NC 27599 USA. [Hix, W. Raphael] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. RP Starrfield, S (reprint author), Arizona State Univ, Sch Earth & Space Explorat, POB 871404, Tempe, AZ 85287 USA. NR 104 TC 63 Z9 63 U1 0 U2 0 PU CAMBRIDGE UNIV PRESS PI CAMBRIDGE PA THE PITT BUILDING, TRUMPINGTON ST, CAMBRIDGE CB2 1RP, CAMBS, ENGLAND BN 978-0-521-84330-0 J9 CAM ASTROPH PY 2008 IS 43 BP 77 EP 101 PG 25 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BAO81 UT WOS:000304922900006 ER PT S AU Garg, A AF Garg, Arti CA SuperMACHO Collaboration BE BailerJones, CAL TI Determination of Microlensing Selection Criteria for the SuperMACHO Survey SO CLASSIFICATION AND DISCOVERY IN LARGE ASTRONOMICAL SURVEYS SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on Classification and Discovery in Large Astronomical Surveys CY OCT 14-17, 2008 CL Ringberg Castle, GERMANY SP Max Planck Inst Astron, Max Planck Gesell, DFG, Emmy Noether Programme DE Galactic Halo; Dark Matter; Supernovae; Time series analysis ID IMAGE SUBTRACTION; GALACTIC HALO; PHOTOMETRY AB The SuperMACHO project is a 5 year survey to determine the nature of the lens population responsible for the excess microlensing rate toward the Large Magellanic Cloud observed by the MACHO project [1]. The survey probes deeper than earlier surveys unveiling many more extra-galactic contaminants, particularly type la supernovae and active galactic nuclei. Using similar to 10(7) simulated light curves of both microlensing events and type la supernovae we determine selection criteria optimized to maximize the microlensing detection efficiency while minimizing the contamination rate from non-micorlensing events. We discuss these simulations and the selection criteria. C1 [Garg, Arti; SuperMACHO Collaboration] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Garg, A (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave,L-413, Livermore, CA 94550 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 978-0-7354-0613-1 J9 AIP CONF PROC PY 2008 VL 1082 BP 263 EP 267 PG 5 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BIT67 UT WOS:000262629900041 ER PT S AU Rest, A Garg, A AF Rest, Armin Garg, Arti CA SuperMACHO ESSENCE Collaborations BE BailerJones, CAL TI Detecting Rare Events in the Time-Domain SO CLASSIFICATION AND DISCOVERY IN LARGE ASTRONOMICAL SURVEYS SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on Classification and Discovery in Large Astronomical Surveys CY OCT 14-17, 2008 CL Ringberg Castle, GERMANY SP Max Planck Inst Astron, Max Planck Gesell, DFG, Emmy Noether Programme DE Galactic Halo; Dark Matter; Supernovae; Time series analysis ID LARGE-MAGELLANIC-CLOUD; LIGHT ECHOES; IMAGE SUBTRACTION; SUPERNOVAE; PHOTOMETRY AB One of the biggest challenges in current and future time-domain surveys is to extract the objects of interest from the immense data stream. There are two aspects to achieving this goal: detecting variable sources and classifying them. Difference imaging provides an elegant technique for identifying new transients or changes in source brightness. Much progress has been made in recent years toward refining the process. We discuss a selection of pitfalls that can afflict an automated difference imagine pipeline and describe some solutions. After identifying true astrophysical variables, we are faced with the challenge of classifying them. For rare events, such as supernovae and microlensing, this challenge is magnified because we must balance having selection criteria that select for the largest number of objects of interest against a high contamination rate. We discuss considerations and techniques for developing classification shemes. C1 [Rest, Armin] Harvard Univ, Dept Phys, 17 Oxford St, Cambridge, MA 02138 USA. [Garg, Arti; SuperMACHO ESSENCE Collaborations] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Rest, A (reprint author), Harvard Univ, Dept Phys, 17 Oxford St, Cambridge, MA 02138 USA. FU NOAO Goldberg fellowship program; NOAO Survey Program; STScI [GO-10583, GO-10903] FX AR thanks the NOAO Goldberg fellowship program for its support. The SuperMACHO and ESSENCE surveys was undertaken under the auspices of the NOAO Survey Program. AG's work prepared by LLNL under Contract DE-AC52-07NA27344. SuperMACHO is supported by the STScI grant GO-10583 and GO-10903. NR 11 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 978-0-7354-0613-1 J9 AIP CONF PROC PY 2008 VL 1082 BP 294 EP + PG 2 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BIT67 UT WOS:000262629900046 ER PT S AU Borne, K Becla, J Davidson, I Szalay, A Tyson, JA AF Borne, K. Becla, J. Davidson, I. Szalay, A. Tyson, J. A. BE BailerJones, CAL TI The LSST Data Mining Research Agenda SO CLASSIFICATION AND DISCOVERY IN LARGE ASTRONOMICAL SURVEYS SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on Classification and Discovery in Large Astronomical Surveys CY OCT 14-17, 2008 CL Ringberg Castle, GERMANY SP Max Planck Inst Astron, Max Planck Gesell, DFG, Emmy Noether Programme DE catalogs; surveys; methods: data analysis; astronomical data bases: miscellaneous ID PHOTOMETRIC REDSHIFTS; CLASSIFICATION; SKY AB We describe features of the LSST science database that are amenable to scientific data mining, object classification, outlier identification, anomaly detection, image quality assurance, and survey science validation. The data mining research agenda includes: scalability (at petabytes scales) of existing machine learning and data mining algorithms; development of grid-enabled parallel data mining algorithms; designing a robust system for brokering classifications from the LSST event pipeline (which may produce 10,000 or more event alerts per night); multi-resolution methods for exploration of petascale databases; indexing of multi-attribute multi-dimensional astronomical databases (beyond spatial indexing) for rapid querying of petabyte databases; and more. C1 [Borne, K.] George Mason Univ, Computat & Data Sci, MS 6A2, Fairfax, VA 22030 USA. [Becla, J.] Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. [Davidson, I.] Univ Calif Davis, Dept Comp Sci, Davis, CA 95616 USA. [Szalay, A.] Johns Hopkins Univ, Dept Phys & Astron, Catonsville, MD 21228 USA. [Tyson, J. A.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. RP Borne, K (reprint author), George Mason Univ, Computat & Data Sci, MS 6A2, Fairfax, VA 22030 USA. NR 27 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 978-0-7354-0613-1 J9 AIP CONF PROC PY 2008 VL 1082 BP 347 EP + PG 2 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BIT67 UT WOS:000262629900053 ER PT B AU Balachandran, U Lee, TH Dorris, SE Udovich, CA Scouten, CG Marshall, CL AF Balachandran, U. (Balu) Lee, T. H. Dorris, S. E. Udovich, C. A. Scouten, C. G. Marshall, C. L. BE Laudon, M Romanowicz, B Laird, DL TI Novel Membrane Technology for Green Ethylene Production SO CLEAN TECHNOLOGY 2008: BIO ENERGY, RENEWABLES, GREEN BUILDING, SMART GRID, STORAGE, AND WATER LA English DT Proceedings Paper CT Clean Technology and Sustainable Industries Conference and Trade Show CY JUN 01-05, 2008 CL Boston, MA SP Clean Technol & Sustainable Ind Org, Greenberg Traurig LLP, Jackson Walker LLP, IDA Ireland, Opportunity Houston, Alston & Bird LLP, K & L Gates, Buchanan Ingersoll & Rooney PC, Foley & Larder, LLP, Pacific Crest Securities, RockPort Capital Partners, Finnegan, Henderson, Farabow, Garrett & Dunner, LLP, Lehman Brothers, Nano Sci & Technol Inst, TechConnect, Cleantechnol & Sustainable Ind Events, Adv Mat Technol Pte Ltd, Adv Technol Ventures, ASCOMP GmbH, BP, Ecointesy, Life Cycle Syst, Energy Recovery, Inc, Kauffman Innovat Network, Inc, Motorola, Inc, Novomer, Oak Ridge Natl Lab, Taylor & Francis Group LLC, CRC Press, Penn State Univ, GlobalSpec, AllConferences Com, Battery Power Prod & Technol, BioBasedNews, BioDzl Com, Business Wire, Business Week, CLEAN, Soil, Air, Water, Design2Market, Fuel Cell Magazine, Inside Greentech, KCI Investing, Nature, R&D Magazine, Red Herring, Inc, Sci Magazine, Journal BioLaw & Business JB&B, Real Nanotech Investor AB This paper describes the use of a dense hydrogen transport membrane (HTM) in producing ethylene via dehydrogenation of ethane. The HTM drives the conversion of ethane by selectively removing hydrogen that is produced by the dehydrogenation reaction. Preliminary experiments show ethylene yields above the thermodynamic equilibrium limit at high ethane conversion. Moreover, this approach eliminates production of greenhouse gases in the reactor section and yields a much simpler product slate than is obtained from current pyrolysis technology. With a simpler product slate, the cost of "back end" purification could be reduced significantly. We present here preliminary results from ethane dehydrogenation experiments, and describe the development of HTMs suitable for ethylene production. C1 [Balachandran, U. (Balu); Lee, T. H.; Dorris, S. E.] Argonne Natl Lab, Div Energy Syst, Argonne, IL 60439 USA. RP Balachandran, U (reprint author), Argonne Natl Lab, Div Energy Syst, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Marshall, Christopher/D-1493-2015 OI Marshall, Christopher/0000-0002-1285-7648 NR 4 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 978-1-4200-8502-0 PY 2008 BP 31 EP 34 PG 4 WC Energy & Fuels SC Energy & Fuels GA BRC37 UT WOS:000282341400009 ER PT B AU Ocola, LE Li, H Uprety, KK Auciello, O AF Ocola, L. E. Li, Hao Uprety, K. K. Auciello, O. BE Laudon, M Romanowicz, B Laird, DL TI Enhanced Photocurrent in Transparent Lead Zirconate-Titanate Thin Film Capacitors Under Sun Light Illumination SO CLEAN TECHNOLOGY 2008: BIO ENERGY, RENEWABLES, GREEN BUILDING, SMART GRID, STORAGE, AND WATER LA English DT Proceedings Paper CT Clean Technology and Sustainable Industries Conference and Trade Show CY JUN 01-05, 2008 CL Boston, MA SP Clean Technol & Sustainable Ind Org, Greenberg Traurig LLP, Jackson Walker LLP, IDA Ireland, Opportunity Houston, Alston & Bird LLP, K & L Gates, Buchanan Ingersoll & Rooney PC, Foley & Larder, LLP, Pacific Crest Securities, RockPort Capital Partners, Finnegan, Henderson, Farabow, Garrett & Dunner, LLP, Lehman Brothers, Nano Sci & Technol Inst, TechConnect, Cleantechnol & Sustainable Ind Events, Adv Mat Technol Pte Ltd, Adv Technol Ventures, ASCOMP GmbH, BP, Ecointesy, Life Cycle Syst, Energy Recovery, Inc, Kauffman Innovat Network, Inc, Motorola, Inc, Novomer, Oak Ridge Natl Lab, Taylor & Francis Group LLC, CRC Press, Penn State Univ, GlobalSpec, AllConferences Com, Battery Power Prod & Technol, BioBasedNews, BioDzl Com, Business Wire, Business Week, CLEAN, Soil, Air, Water, Design2Market, Fuel Cell Magazine, Inside Greentech, KCI Investing, Nature, R&D Magazine, Red Herring, Inc, Sci Magazine, Journal BioLaw & Business JB&B, Real Nanotech Investor ID ELECTRODES AB (Pb)(Zr(0.52)Ti(0.48))O(3) films were fabricated on LaNiO(3) (LNO)/ In(2)O(3) 90%SnO(2)10% (ITO) layered transparent electrodes on glass substrates, using chemical solution deposition. The electrical and optical properties of transparent ITO/LNO/PZT/LNO/ITO capacitors fabricated on glass substrates were studied. The remnant polarization (P(r)) of the transparent ITO/LNO/PZT/LNO/ITO/glass capacitors was determined from P-E hysteresis loops measurements. Excellent optical transmittance was observed for the whole capacitor structure. The importance of a high performance transparent capacitor is that this structure may enable a new generation of high efficiency transparent electronic devices such as solar energy storage, photovoltaic, and intelligent windows, among others. C1 [Ocola, L. E.; Li, Hao; Uprety, K. K.; Auciello, O.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Ocola, LE (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 13 TC 0 Z9 0 U1 1 U2 3 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-8502-0 PY 2008 BP 105 EP 108 PG 4 WC Energy & Fuels SC Energy & Fuels GA BRC37 UT WOS:000282341400028 ER PT B AU Wise, A AF Wise, Alison BE Laudon, M Romanowicz, B Laird, DL TI Laying the Groundwork: Lessons Learned from the Telecommunications Industry for Distributed Generation SO CLEAN TECHNOLOGY 2008: BIO ENERGY, RENEWABLES, GREEN BUILDING, SMART GRID, STORAGE, AND WATER LA English DT Proceedings Paper CT Clean Technology and Sustainable Industries Conference and Trade Show CY JUN 01-05, 2008 CL Boston, MA SP Clean Technol & Sustainable Ind Org, Greenberg Traurig LLP, Jackson Walker LLP, IDA Ireland, Opportunity Houston, Alston & Bird LLP, K & L Gates, Buchanan Ingersoll & Rooney PC, Foley & Larder, LLP, Pacific Crest Securities, RockPort Capital Partners, Finnegan, Henderson, Farabow, Garrett & Dunner, LLP, Lehman Brothers, Nano Sci & Technol Inst, TechConnect, Cleantechnol & Sustainable Ind Events, Adv Mat Technol Pte Ltd, Adv Technol Ventures, ASCOMP GmbH, BP, Ecointesy, Life Cycle Syst, Energy Recovery, Inc, Kauffman Innovat Network, Inc, Motorola, Inc, Novomer, Oak Ridge Natl Lab, Taylor & Francis Group LLC, CRC Press, Penn State Univ, GlobalSpec, AllConferences Com, Battery Power Prod & Technol, BioBasedNews, BioDzl Com, Business Wire, Business Week, CLEAN, Soil, Air, Water, Design2Market, Fuel Cell Magazine, Inside Greentech, KCI Investing, Nature, R&D Magazine, Red Herring, Inc, Sci Magazine, Journal BioLaw & Business JB&B, Real Nanotech Investor DE clean energy; market transformation; distributed generation; telecommunications; public policy AB The telecommunications industry went through growing pains in the past that hold some interesting lessons for the growing distributed generation (DG) "industry." The technology shifts and stakeholders involved with the historic market transformation of the telecommunications sector mirror similar factors involved in distributed generation today. An examination of these factors may inform best practices when approaching the conduits necessary to accelerate the shifting of our nation's energy system to cleaner forms of generation and use. From a technical perspective, the telecom industry in the 1990s saw a shift from highly centralized systems that had no capacity for adaptation to highly adaptive, distributed network systems. From a management perspective, the industry shifted from small, private-company structures to big, capital-intensive corporations. This presentation will explore potential correlation and outline the lessons that we can take away from this comparison. C1 US DOE, Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Wise, A (reprint author), US DOE, Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM alison_wise@nrel.gov 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 978-1-4200-8502-0 PY 2008 BP 218 EP 221 PG 4 WC Energy & Fuels SC Energy & Fuels GA BRC37 UT WOS:000282341400057 ER PT B AU Fornasiero, F Park, HG Holt, JK Stadermann, M Kim, S Bin In, J Grigoropoulos, CP Noy, A Bakajin, O AF Fornasiero, Francesco Park, Hyung Gyu Holt, Jason K. Stadermann, Michael Kim, Sangil Bin In, Jung Grigoropoulos, Costas P. Noy, Aleksandr Bakajin, Olgica BE Laudon, M Romanowicz, B Laird, DL TI Nanofiltration of Electrolyte Solutions by Sub-2nm Carbon Nanotube Membranes SO CLEAN TECHNOLOGY 2008: BIO ENERGY, RENEWABLES, GREEN BUILDING, SMART GRID, STORAGE, AND WATER LA English DT Proceedings Paper CT Clean Technology and Sustainable Industries Conference and Trade Show CY JUN 01-05, 2008 CL Boston, MA SP Clean Technol & Sustainable Ind Org, Greenberg Traurig LLP, Jackson Walker LLP, IDA Ireland, Opportunity Houston, Alston & Bird LLP, K & L Gates, Buchanan Ingersoll & Rooney PC, Foley & Larder, LLP, Pacific Crest Securities, RockPort Capital Partners, Finnegan, Henderson, Farabow, Garrett & Dunner, LLP, Lehman Brothers, Nano Sci & Technol Inst, TechConnect, Cleantechnol & Sustainable Ind Events, Adv Mat Technol Pte Ltd, Adv Technol Ventures, ASCOMP GmbH, BP, Ecointesy, Life Cycle Syst, Energy Recovery, Inc, Kauffman Innovat Network, Inc, Motorola, Inc, Novomer, Oak Ridge Natl Lab, Taylor & Francis Group LLC, CRC Press, Penn State Univ, GlobalSpec, AllConferences Com, Battery Power Prod & Technol, BioBasedNews, BioDzl Com, Business Wire, Business Week, CLEAN, Soil, Air, Water, Design2Market, Fuel Cell Magazine, Inside Greentech, KCI Investing, Nature, R&D Magazine, Red Herring, Inc, Sci Magazine, Journal BioLaw & Business JB&B, Real Nanotech Investor DE carbon nanotube; membrane; ion exclusion; fast flow ID WATER; TRANSPORT; GROWTH AB Both MD simulations and experimental studies have shown that liquid and gas flow through carbon nanotubes with nanometer size diameter is exceptionally fast. For applications in separation technology, selectivity is required together with fast flow. In this work, we use pressure-driven filtration experiments to study ion exclusion in silicon nitride/sub-2-nm CNT composite membranes as a function of solution ionic strength, pH, and ion valence. We show that carbon nanotube membranes exhibit significant ion exclusion at low salt concentration. Our results support a rejection mechanism dominated by electrostatic interactions between fixed membrane charges and mobile ions, while steric and hydrodynamic effects appear to be less important. Comparison with commercial nanofiltration membranes for water softening reveals that our carbon nanotube membranes provides far superior water fluxes for similar ion rejection capabilities. C1 [Fornasiero, Francesco; Park, Hyung Gyu; Holt, Jason K.; Stadermann, Michael; Noy, Aleksandr; Bakajin, Olgica] LLNL, Biosci & Biotechnol Div, CMELS, Livermore, CA 94550 USA. RP Fornasiero, F (reprint author), LLNL, Biosci & Biotechnol Div, CMELS, Livermore, CA 94550 USA. RI Stadermann, Michael /A-5936-2012; Fornasiero, Francesco/I-3802-2012 OI Stadermann, Michael /0000-0001-8920-3581; NR 17 TC 0 Z9 0 U1 1 U2 7 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-1-4200-8502-0 PY 2008 BP 380 EP 383 PG 4 WC Energy & Fuels SC Energy & Fuels GA BRC37 UT WOS:000282341400100 ER PT B AU Bogart, KHA El-kady, I Grubbs, RK Rahimian, K Sanchez, AM Ellis, AR Wiwi, M McCormick, FB Shir, DJL Rogers, JA AF Bogart, K. H. A. El-kady, I. Grubbs, R. K. Rahimian, K. Sanchez, A. M. Ellis, A. R. Wiwi, M. McCormick, F. B. Shir, D. J. -L. Rogers, J. A. BE Laudon, M Romanowicz, B Laird, DL TI Simulation and Fabrication of Large-Area 3D Nanostructures SO CLEAN TECHNOLOGY 2008: BIO ENERGY, RENEWABLES, GREEN BUILDING, SMART GRID, STORAGE, AND WATER LA English DT Proceedings Paper CT Clean Technology and Sustainable Industries Conference and Trade Show CY JUN 01-05, 2008 CL Boston, MA SP Clean Technol & Sustainable Ind Org, Greenberg Traurig LLP, Jackson Walker LLP, IDA Ireland, Opportunity Houston, Alston & Bird LLP, K & L Gates, Buchanan Ingersoll & Rooney PC, Foley & Larder, LLP, Pacific Crest Securities, RockPort Capital Partners, Finnegan, Henderson, Farabow, Garrett & Dunner, LLP, Lehman Brothers, Nano Sci & Technol Inst, TechConnect, Cleantechnol & Sustainable Ind Events, Adv Mat Technol Pte Ltd, Adv Technol Ventures, ASCOMP GmbH, BP, Ecointesy, Life Cycle Syst, Energy Recovery, Inc, Kauffman Innovat Network, Inc, Motorola, Inc, Novomer, Oak Ridge Natl Lab, Taylor & Francis Group LLC, CRC Press, Penn State Univ, GlobalSpec, AllConferences Com, Battery Power Prod & Technol, BioBasedNews, BioDzl Com, Business Wire, Business Week, CLEAN, Soil, Air, Water, Design2Market, Fuel Cell Magazine, Inside Greentech, KCI Investing, Nature, R&D Magazine, Red Herring, Inc, Sci Magazine, Journal BioLaw & Business JB&B, Real Nanotech Investor DE nanostructure; lithography; quasicrystal; photonic; model ID PHASE MASKS AB Three-dimensional (3D) nano-structures are vital for emerging technologies such as photonics, sensors, fuel cells, catalyst supports, and data storage. The Proximity-field nanoPatterning(1) method generates complex 3D nanostructures using a single exposure through an elastomeric "phase mask" patterned in x, y, and z, and a single development cycle. We developed a model that predicts the phase mask required to generate a specific desired nanostructure. We have compared this inverse model with experimental 3D structures to test the validity of the simulation. We have transferred the PnP fabrication process to a class-10 commercial cleanroom and scaled-up the processed area to >2000mm(2), tested photopolymer additives designed to reduce resist shrinkage, incorporated atomic layer deposition (ALD) to coat the 3D patterned resist with metals/metal-oxides improve structure robustness, and generated quasi-crystal patterned 3D nanostructures. C1 [Bogart, K. H. A.; El-kady, I.; Grubbs, R. K.; Rahimian, K.; Sanchez, A. M.; Ellis, A. R.; Wiwi, M.; McCormick, F. B.] Sandia Natl Labs, Livermore, CA 94550 USA. RP Bogart, KHA (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM khbogar@sandia.gov RI El-Kady, Ihab/D-2886-2013 OI El-Kady, Ihab/0000-0001-7417-9814 NR 9 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 978-1-4200-8502-0 PY 2008 BP 624 EP 627 PG 4 WC Energy & Fuels SC Energy & Fuels GA BRC37 UT WOS:000282341400162 ER PT J AU Wang, Y Notaro, M Liu, Z Gallimore, R Levis, S Kutzbach, JE AF Wang, Y. Notaro, M. Liu, Z. Gallimore, R. Levis, S. Kutzbach, J. E. TI Detecting vegetation-precipitation feedbacks in mid-Holocene North Africa from two climate models SO CLIMATE OF THE PAST LA English DT Article ID TERRESTRIAL ECOSYSTEM; ATLANTIC OSCILLATION; ABRUPT CHANGE; ATMOSPHERE; HOLOCENE; SIMULATIONS; DROUGHT; MONSOON; SAHARA; VARIABILITY AB Using two climate-vegetation model simulations from the Fast Ocean Atmosphere Model (FOAM) and the Community Climate System Model (CCSM, version 2), we investigate vegetation-precipitation feedbacks across North Africa during the mid-Holocene. From mid-Holocene snapshot runs of FOAM and CCSM2, we detect a negative feedback at the annual timescale with our statistical analysis. Using the Monte-Carlo bootstrap method, the annual negative feedback is further confirmed to be significant in both simulations. Additional analysis shows that this negative interaction is partially caused by the competition between evaporation and transpiration in North African grasslands. Furthermore, we find the feedbacks decrease with increasing timescales, and change signs from positive to negative at increasing timescales in FOAM. The proposed mechanism for this sign switch is associated with the different persistent timescales of upper and lower soil water contents, and their interactions with vegetation and atmospheric precipitation. C1 [Wang, Y.; Notaro, M.; Liu, Z.; Gallimore, R.; Kutzbach, J. E.] Univ Wisconsin, Ctr Climate Res, Madison, WI 53706 USA. [Levis, S.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. RP Wang, Y (reprint author), Pacific NW Natl Lab, POB 999,MSIN K9-24, Richland, WA 99352 USA. EM yi.wang@pnl.gov RI Wang, Yi/F-2689-2011 FU ESH; NSF FX This work has been supported by ESH/NSF. The CCSM2 and FOAMLPJ model simulations have been carried out at NCAR computation resources. We also would like to thank the two anonymous reviewers and H. Renssen whose input helped to improve the paper. This paper is CCR Contribution Number 922. NR 47 TC 21 Z9 22 U1 2 U2 8 PU COPERNICUS PUBLICATIONS PI KATHLENBURG-LINDAU PA MAX-PLANCK-STR 13, KATHLENBURG-LINDAU, 37191, GERMANY SN 1814-9324 J9 CLIM PAST JI Clim. Past. PY 2008 VL 4 IS 1 BP 59 EP 67 PG 9 WC Geosciences, Multidisciplinary; Meteorology & Atmospheric Sciences SC Geology; Meteorology & Atmospheric Sciences GA 370JK UT WOS:000260758300002 ER PT J AU Edmonds, J Clarke, L Lurz, J Wise, M AF Edmonds, J. Clarke, L. Lurz, J. Wise, M. TI Stabilizing CO2 concentrations with incomplete international cooperation SO CLIMATE POLICY LA English DT Article DE CO2; carbon pricing; cost-effectiveness; emissions reduction; regime comparison; stabilization scenarios AB Many stabilization scenarios have examined the implications of stabilization on the assumption that all regions and all sectors of all of the world's economies undertake emissions mitigations wherever and whenever it is cheapest to do so. This idealized assumption is just one of many ways in which emissions mitigation actions could play out globally, but not necessarily the most likely. This paper explores the implications of generic policy regimes that lead to stabilization of CO, concentrations under conditions in which non-Annex I regions delay emissions reductions and in which carbon prices vary across participating regions. The resulting stabilization scenarios are contrasted with the idealized results. Delays in the date by which non-Annex I regions begin to reduce emissions raise the price of carbon in Annex I regions relative to the price of carbon in Annex I in an idealized regime for any given CO2 concentration limit. This effect increases the longer the delay in non-Annex I accession, the lower the non-Annex I carbon prices relative to the Annex I prices, and the more stringent the stabilization level. The effect of delay is very pronounced when CO, concentrations are stabilized at 450 ppmv, however the effect is much less pronounced at 550 ppmv and above. For long delays in non-Annex I accession, 450 ppmv stabilization levels become infeasible. C1 [Edmonds, J.; Clarke, L.; Lurz, J.; Wise, M.] Univ Maryland, Pacific NW Natl Lab, Joint Global Change Res Inst, College Pk, MD 20740 USA. RP Edmonds, J (reprint author), Univ Maryland, Pacific NW Natl Lab, Joint Global Change Res Inst, 8400 Baltimore Ave,Suite 201, College Pk, MD 20740 USA. EM jae@pnl.gov NR 16 TC 37 Z9 37 U1 0 U2 5 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1469-3062 J9 CLIM POLICY JI Clim. Policy PY 2008 VL 8 IS 4 BP 355 EP 376 DI 10.3763/cpol.2007.0469 PG 22 WC Environmental Studies; Public Administration SC Environmental Sciences & Ecology; Public Administration GA 345HR UT WOS:000258987600002 ER PT J AU Hillegonds, DJ Voge, JS Burton, DW Yang, M Vijayakumar, S Herold, DA Deftos, LJ Fitzgerald, RL AF Hillegonds, D. J. Voge, J. S. Burton, D. W. Yang, M. Vijayakumar, S. Herold, D. A. Deftos, L. J. Fitzgerald, R. L. TI Ca-41 provides a precise, non-invasive assay of tumor growth in bone SO CLINICAL & EXPERIMENTAL METASTASIS LA English DT Meeting Abstract C1 [Hillegonds, D. J.; Voge, J. S.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Burton, D. W.; Herold, D. A.; Deftos, L. J.; Fitzgerald, R. L.] UC San Diego, San Diego, CA USA. [Yang, M.] AntiCancer Inc, San Diego, CA USA. [Vijayakumar, S.] UC Davis Med Ctr, Sacramento, CA USA. NR 0 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0262-0898 J9 CLIN EXP METASTAS JI Clin. Exp. Metastasis PY 2008 VL 25 SU S BP 54 EP 54 PG 1 WC Oncology SC Oncology GA 338GK UT WOS:000258494200095 ER PT J AU Vlcek, L Cummings, PT AF Vlcek, Lukas Cummings, Peter T. TI Adsorption of water on TiO2 and SnO2 surfaces: Molecular dynamics study SO COLLECTION OF CZECHOSLOVAK CHEMICAL COMMUNICATIONS LA English DT Article DE adsorption; metal oxide; rutile; cassiterite; water; free energy; chemical potential; simulation ID ELECTRIC DOUBLE-LAYER; FORCE-FIELD PARAMETERS; FREE-ENERGY PROFILE; RUTILE 110 SURFACE; INTERFACE; SYSTEMS; MODEL; NANOPARTICLES; DISTRIBUTIONS; SIMULATIONS AB The structure and thermodynamics of water adsorbed at the ( 110) surface of rutile (alpha-TiO2) and cassiterite (alpha-SnO2) were studied by means of molecular dynamics simulations with atomic interactions represented by a classical forcefield based on the SPC/ E model of water. To investigate the effect of surface water dissociation on the adsorption of additional layers of water, two extreme cases of completely hydroxylated and nonhydroxylated surfaces were considered. Axial density distributions and adsorption Helmholtz free energies of water for different types of surfaces were compared and related to thermal gravimetric analysis data from literature. We found that the dissociation of water in the first layer considerably changes the affinity of additional water to the surface, weakening hydrogen bonding between the first and second layer and strengthening cohesion between the second and third layer. Comparison with the experimental measurements of adsorption indicates that water dissociates on cassiterite while it stays associated on rutile. The degree of dissociation in the first layer is not strongly affected by the adsorption of additional water. C1 [Vlcek, Lukas; Cummings, Peter T.] Vanderbilt Univ, Dept Chem Engn, Nashville, TN 37235 USA. [Vlcek, Lukas] Acad Sci Czech Republic, Inst Chem Proc Fundamentals, CR-16502 Prague 6, Czech Republic. [Cummings, Peter T.] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Vlcek, L (reprint author), Vanderbilt Univ, Dept Chem Engn, 221 Kirkland Hall, Nashville, TN 37235 USA. EM lukas.vlcek@vanderbilt.edu; peter.cummings@vanderbilt.edu RI Cummings, Peter/B-8762-2013; Vlcek, Lukas/N-7090-2013 OI Cummings, Peter/0000-0002-9766-2216; Vlcek, Lukas/0000-0003-4782-7702 NR 31 TC 6 Z9 6 U1 0 U2 24 PU INST ORGANIC CHEM AND BIOCHEM PI PRAGUE 6 PA ACAD SCI CZECH REPUBLIC, FLEMINGOVO NAM 2, PRAGUE 6 166 10, CZECH REPUBLIC SN 0010-0765 J9 COLLECT CZECH CHEM C JI Collect. Czech. Chem. Commun. PY 2008 VL 73 IS 4 BP 575 EP 589 DI 10.1135/cccc20080575 PG 15 WC Chemistry, Multidisciplinary SC Chemistry GA 313PV UT WOS:000256753400009 ER PT J AU Williams, TC Shaddix, CR Schefer, RW AF Williams, Timothy C. Shaddix, Christopher R. Schefer, Robert W. TI Effect of syngas composition and CO2-diluted oxygen on performance of a premixed swirl-stabilized combustor SO COMBUSTION SCIENCE AND TECHNOLOGY LA English DT Article DE carbon dioxide; carbon monoxide; NOx; premixed combustion; swirl; syngas ID OPPOSED-FLOW DIFFUSION; NITRIC-OXIDE; FLAMES; HYDROGEN; GAS; AIR; CO2; EMISSIONS; PRESSURE; POWER AB Future energy systems based on gasification of coal or biomass for co-production of electrical power and fuels may require gas turbine operation on unusual gaseous fuel mixtures. In addition, global climate change concerns may dictate the generation of a CO2 product stream for end-use or sequestration, with potential impacts on the oxidizer used in the gas turbine. In this study the operation at atmospheric pressure of a small, optically accessible swirl-stabilized premixed combustor, burning fuels ranging from pure methane to conventional and H-2-rich and H-2-lean syngas mixtures is investigated. Both air and CO2-diluted oxygen are used as oxidizers. CO and NOx emissions for these flames have been determined from the lean blowout limit to slightly rich conditions (phi similar to 1.03). In practice, CO2-diluted oxygen systems will likely be operated close to stoichiometric conditions to minimize oxygen consumption while achieving acceptable NOx performance. The presence of hydrogen in the syngas fuel mixtures results in more compact, higher temperature flames, resulting in increased flame stability and higher NOx emissions. Consistent with previous experience, the stoichiometry of lean blowout decreases with increasing H-2 content in the syngas. Similarly, the lean stoichiometry at which CO emissions become significant decreases with increasing H-2 content. For the mixtures investigated, CO emissions near the stoichiometric point do not become significant until phi > 0.95. At this stoichiometric limit, CO emissions rise more rapidly for combustion in O-2-CO2 mixtures than for combustion in air. C1 [Williams, Timothy C.; Shaddix, Christopher R.; Schefer, Robert W.] Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA. RP Shaddix, CR (reprint author), Sandia Natl Labs, Combust Res Facil, Livermore, CA 94550 USA. EM crshadd@sandia.gov RI Schefer, Jurg/G-3960-2012 NR 36 TC 32 Z9 33 U1 2 U2 17 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0010-2202 J9 COMBUST SCI TECHNOL JI Combust. Sci. Technol. PY 2008 VL 180 IS 1 BP 64 EP 88 DI 10.1080/00102200701487061 PG 25 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical SC Thermodynamics; Energy & Fuels; Engineering GA 241SM UT WOS:000251676100004 ER PT J AU Casleton, KH Breault, RW Richards, GA AF Casleton, Kent H. Breault, Ronald W. Richards, George A. TI System issues and tradeoffs associated with syngas production and combustion SO COMBUSTION SCIENCE AND TECHNOLOGY LA English DT Review DE carbon dioxide capture; gasification; syngas utilization ID CHEMICAL-LOOPING-COMBUSTION; OXIDE FUEL-CELLS; GAS-TURBINE; NATURAL-GAS; COAL SYNGAS; PREMIXED COMBUSTION; LABORATORY REACTOR; DIFFUSION FLAMES; HYBRID CYCLE; GENERATION AB The purpose of this article is to provide an overview of the basic technology of coal gasification for the production of syngas and the utilization of that syngas in power generation. The common gasifier types, fixed/moving bed, fluidized bed, entrained flow, and transport, are described, and accompanying typical product syngas compositions are shown for different coal ranks. Substantial variation in product gas composition is observed with changes in gasifier and coal feed type. Fuel contaminants such as sulfur, nitrogen, ash, as well as heavy metals such as mercury, arsenic, and selenium, can be removed to protect the environment and downstream processes. A variety of methods for syngas utilization for power production are discussed, including both present ( gas turbine and internal combustion engines) and future technologies, including oxy-fuel, chemical looping, fuel cells, and hybrids. Goals to improve system efficiencies, further reduce NOx emissions, and provide options for CO2 sequestration require advancements in many aspects of IGCC plants, including the combustion system. Areas for improvements in combustion technology that could minimize these tradeoffs between cost, complexity, and performance are discussed. C1 [Casleton, Kent H.; Breault, Ronald W.; Richards, George A.] US DOE, Natl Energy Technol Lab, Morgantown, WV 26505 USA. RP Richards, GA (reprint author), US DOE, Natl Energy Technol Lab, 3610 Collins Ferry Rd, Morgantown, WV 26505 USA. EM George.Richards@netl.doe.gov OI Breault, Ronald/0000-0002-5552-4050 NR 105 TC 24 Z9 24 U1 4 U2 27 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0010-2202 J9 COMBUST SCI TECHNOL JI Combust. Sci. Technol. PY 2008 VL 180 IS 6 BP 1013 EP 1052 DI 10.1080/00102200801962872 PG 40 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical SC Thermodynamics; Energy & Fuels; Engineering GA 313VQ UT WOS:000256768500002 ER PT J AU Malchi, JY Yetter, RA Foley, TJ Son, SF AF Malchi, J. Y. Yetter, R. A. Foley, T. J. Son, S. F. TI The effect of added Al(2)O(3) on the propagation behavior of an Al/CuO nanoscale thermite SO COMBUSTION SCIENCE AND TECHNOLOGY LA English DT Article DE burning rate; diluent; nano-aluminum; thermite ID COMBUSTION; COMPOSITES; DETONATION; NANO AB Three types of experiments were performed on an Al/CuO nanoscale thermite to understand the effect of adding a diluent (40 nm Al(2)O(3) particles) to the mixture: the constant volume pressure cell, the unconfined burn tray, and the instrumented burn tube. The addition of Al(2)O(3) decreased the pressure output and reaction velocity in all three experiments. Burn tube measurements showed three reaction velocity regimes: constant velocity observed when 0% (633 m/s) and 5% (570 m/s) of the total weight is Al(2)O(3), constant acceleration observed at 10% (146 m/s to 544 m/s over a distance of 6 cm) and 15% (69 m/s to 112 m/s over a distance of 6 cm) Al(2)O(3), and an unstable, spiraling combustion wave at 20% Al(2)O(3). The pressure measurements correlated to these three regimes showing a dropoff in peak pressure as Al(2)O(3) was added to the system, with relatively no pressure increase observed when 20% of the total weight was Al(2)O(3). Equilibrium calculations showed that the addition of Al(2)O(3) to an Al/CuO mixture lowered the flame temperature, reducing the amount of combustion products in the gas phase, thus, hindering the presumed primary mode of forward heat transfer, convection. C1 [Malchi, J. Y.; Yetter, R. A.] Penn State Univ, University Pk, PA 16802 USA. [Foley, T. J.] Los Alamos Natl Lab, Los Alamos, NM USA. [Son, S. F.] Purdue Univ, W Lafayette, IN 47907 USA. RP Yetter, RA (reprint author), 111 Res Bldg E, University Pk, PA 16802 USA. EM ray8@psu.edu OI Son, Steven/0000-0001-7498-2922 NR 18 TC 30 Z9 30 U1 0 U2 21 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0010-2202 J9 COMBUST SCI TECHNOL JI Combust. Sci. Technol. PY 2008 VL 180 IS 7 BP 1278 EP 1294 DI 10.1080/00102200802049471 PG 17 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical SC Thermodynamics; Energy & Fuels; Engineering GA 313VR UT WOS:000256768600003 ER PT J AU Strelkova, MI Kirillov, IA Potapkin, BV Safonov, AA Sukhanov, LP Umanskiy, SY Deminsky, MA Dean, AJ Varatharajan, B Tentner, AM AF Strelkova, M. I. Kirillov, I. A. Potapkin, B. V. Safonov, A. A. Sukhanov, L. P. Umanskiy, S. Ya. Deminsky, M. A. Dean, A. J. Varatharajan, B. Tentner, A. M. TI Detailed and reduced mechanisms of Jet A combustion at high temperatures SO COMBUSTION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 21st International Colloquium on the Dynamics of Explosions and Reactive Systems CY JUL 23-28, 2007 CL Poitiers, FRANCE DE combustion; detailed and reduced kinetic mechanisms; detonation; Jet A kerosene; modeling; surrogate ID N-DECANE; OXIDATION; SURROGATE; KEROSENE; AVIATION; IGNITION; MIXTURES; FLAMES; FUELS AB For the Computational Fluid Dynamics (CFD) modeling of combustion and detonation of Jet A aviation fuel it is necessary to use the simplest kinetic mechanism that accurately describes the essential relevant phenomena. A surrogate that demonstrated good agreement with the parent fuel in the detonation process was chosen. A detailed kinetic mechanism was elaborated using a multilevel approach. A reduced mechanism was derived from the detailed mechanism for use in the CFD simulation of real detonation processes in combustors. C1 [Strelkova, M. I.; Kirillov, I. A.; Potapkin, B. V.] RRC Kurchatov Inst, Moscow 123182, Russia. [Safonov, A. A.; Sukhanov, L. P.; Umanskiy, S. Ya.; Deminsky, M. A.] Kintech Lab, Moscow, Russia. [Dean, A. J.; Varatharajan, B.] GE Global Res, Niskayuna, NY USA. [Tentner, A. M.] Argonne Natl Labs, Argonne, IL USA. RP Strelkova, MI (reprint author), RRC Kurchatov Inst, Kurchatov Sq 1, Moscow 123182, Russia. EM strelkova@hepti.kiae.ru RI Sukhanov, Leonid/K-9701-2013 OI Sukhanov, Leonid/0000-0001-8599-8102 NR 26 TC 11 Z9 15 U1 0 U2 18 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0010-2202 J9 COMBUST SCI TECHNOL JI Combust. Sci. Technol. PY 2008 VL 180 IS 10-11 BP 1788 EP 1802 DI 10.1080/00102200802258379 PG 15 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical SC Thermodynamics; Energy & Fuels; Engineering GA 356EF UT WOS:000259760800007 ER PT J AU Risha, GA Sabourin, JL Yang, V Yetter, RA Son, SF Tappan, BC AF Risha, Grant A. Sabourin, Justin L. Yang, Vigor Yetter, Richard A. Son, Steven F. Tappan, Bryce C. TI COMBUSTION AND CONVERSION EFFICIENCY OF NANOALUMINUM-WATER MIXTURES SO COMBUSTION SCIENCE AND TECHNOLOGY LA English DT Article DE Aluminum; Burning rate; Combustion; Efficiency; Nanoparticles; Water ID ULTRAFINE ALUMINUM AB An experimental investigation on the combustion behavior and conversion efficiency of nanoaluminum and liquid water mixtures was conducted. Burning rates and chemical efficiency of aluminum-water and aluminum-water-poly(acrylamide-co-acrylic acid) mixtures were quantified as a function of pressure (from 0.12 to 15MPa), nominal aluminum particle size (for diameters of 38, 50, 80, and 130nm), and overall equivalence ratios (0.67 0.005 M DTPA + 1M ammonium bicarbonate > 0.01 M EDTA + 0.05M ammonium carbonate > 0.005 M DTPA > 1MMgCl(2). The critical limits of Zn in soil, below which the yield response to late sown wheat (var. UP-2338) to Zn application could be expected, were 0.57 mg 0.005M DTPA (pH 7.3) extractable and 1.72 mg Mehlich 3-extractable Zn kg(-1) soil. The critical limit of Zn in whole shoot at 60 days after emergence was found to be 26.1 mg Zn kg(-1) plant tissue. The DTPA and Mehlich 3-extractable soil Zn also correlated significantly and positively with Zn concentration in whole shoot at 60 days after emergence and total Zn uptake by wheat at harvest. C1 [Srivastava, Prakash C.; Naresh, Megh; Srivastava, Prashant] GB Pant Univ Agr & Technol, Dept Soil Sci, Pantnagar, Uttar Pradesh, India. [Srivastava, Prashant] Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29801 USA. RP Srivastava, PC (reprint author), 8-33 Monnomeeth St, Bexley, NSW 2207, Australia. EM ps.soil@gmail.com RI Srivastava, Prashant/E-6471-2011 OI Srivastava, Prashant/0000-0002-6234-3987 NR 10 TC 5 Z9 5 U1 0 U2 0 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0010-3624 J9 COMMUN SOIL SCI PLAN JI Commun. Soil Sci. Plant Anal. PY 2008 VL 39 IS 3-4 BP 440 EP 449 DI 10.1080/00103620701826563 PG 10 WC Agronomy; Plant Sciences; Chemistry, Analytical; Soil Science SC Agriculture; Plant Sciences; Chemistry GA 261RA UT WOS:000253096500010 ER PT J AU Srivastava, PC Srivastava, P AF Srivastava, Prakash C. Srivastava, Prashant TI Integration of soil pH with soil-test values of zinc for prediction of yield response in rice grown in mollisols SO COMMUNICATIONS IN SOIL SCIENCE AND PLANT ANALYSIS LA English DT Article DE mollisols; rice; soil-test methods; zinc availability ID CALIBRATION; DEFICIENCY AB Seventeen Mollisols having pH((1:2)) in the range of 6.00 to 8.42 were analyzed with five extractants, and the extractable zinc (Zn) ranges were 0.84 to 2.75 mg Zn kg(-1) soil for diethylenetriaminepentaacetic acid (DTPA) (pH7.3), 0.91 to 2.72 mg Zn kg(-1) soil for DTPA + ammonium bicarbonate (pH7.6), 1.82 to 7.18 mg Zn kg(-1) soil for Mehlich 3, 1.22 to 3.83 mg Zn kg(-1) soil for ethylenediaminetetraacetic acid (EDTA) + ammonium carbonate, and 0.88 to 1.18 mg Zn kg(-1) soil for 1mol L(-1) magnesium chloride (MgCl(2)) (pH6.0). Zinc extracted by DTPA (pH7.3) and Mehlich 3 showed significant positive correlation with sand content, whereas only Mehlich 3 showed negative correlation with soil pH. All extractants showed significant positive correlation with each other except for 1mol L(-1) MgCl(2)-extractable Zn, which had significant positive correlation with only Mehlich 3- and EDTA + ammonium carbonate-extractable Zn. A greenhouse experiment showed that Bray's percentage yield of rice was poorly correlated to extractable soil Zn but had a significant and negative linear correlation with soil pH (r = -0.662, significant at p = 0.01). Total Zn uptake by rice had a significant positive correlation with 1mol L(-1) MgCl(2)- and Mehlich 3-extractable Zn. A proposed parameter (p extractable Zn + p OH(-)) involving both soil extractable Zn and pH terms together showed significant and positive correlation with Bray's percentage yield and total Zn uptake of rice. The calculated values of critical limits of soil Zn in terms of the proposed parameter were 14.1699 for DTPA (pH7.3), 13.9587 for DTPA + ammonium bicarbonate, 13.7016 for Mehlich 3, 13.9402 for EDTA + ammonium carbonate, and 14.1810 for 1mol L(-1) MgCl(2) (pH6.0). The critical limits of Zn in rice grain and straw were 17.32 and 22.95 mg Zn kg(-1) plant tissue, respectively. C1 [Srivastava, Prakash C.; Srivastava, Prashant] GB Pant Univ Agr & Technol, Dept Soil Sci, Pantnagar, Uttar Pradesh, India. [Srivastava, Prashant] Univ Georgia, Savannah River Ecol Lab, Aiken, SC USA. RP Srivastava, P (reprint author), 8-33 Monomeeth St, Bexley, NSW 2207, Australia. EM ps.soil@gmail.com RI Srivastava, Prashant/E-6471-2011 OI Srivastava, Prashant/0000-0002-6234-3987 NR 19 TC 5 Z9 5 U1 0 U2 3 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0010-3624 J9 COMMUN SOIL SCI PLAN JI Commun. Soil Sci. Plant Anal. PY 2008 VL 39 IS 15-16 BP 2456 EP 2468 DI 10.1080/00103620802292830 PG 13 WC Agronomy; Plant Sciences; Chemistry, Analytical; Soil Science SC Agriculture; Plant Sciences; Chemistry GA 341BF UT WOS:000258688500018 ER PT J AU Garten, CT AF Garten, Charles T., Jr. TI Changes in Carbon following Forest Soil Transplants along an Altitudinal Gradient SO COMMUNICATIONS IN SOIL SCIENCE AND PLANT ANALYSIS LA English DT Article DE Climate change; elevation gradient; soil carbon; soil C-to-N ratio; warming ID SOUTHERN APPALACHIAN MOUNTAINS; ORGANIC-MATTER; CLIMATE-CHANGE; N RATIO; DECOMPOSITION; TEMPERATURE; NITROGEN; RATES; MINERALIZATION; ECOSYSTEMS AB Using a simple case study approach, this research tested the hypothesis that soil organic carbon (C) concentrations would decline when mineral soils from cool, nitrogen (N)-rich, high-elevation (1400m) forests were transplanted to warmer, N-poor, low-elevation (545m) forests. Two short-term (5 year) experiments were performed in the Great Smoky Mountains National Park (Tenn./N.C.) in the southern Appalachian Mountains. In the first experiment, C concentrations in whole soils, particulate organic matter (POM), and mineral-associated organic matter (MOM) declined significantly (P 0.001) when soils from a high elevation site (1H) were transplanted to a low-elevation site (1L). In the second experiment, there was a significant (P 0.05) decline in POM C concentrations when high elevation soils (2H) were moved to a lower elevation (2L) as well as declines in whole soil C concentrations that were significant at P 0.10. In both cases, reciprocal transplants of low elevation soils to high elevations resulted in no detectable change in soil C concentrations. Warming of higher quality soil organic matter (whole soil C-to-N ratio 20) resulted in greater soil C loss. Consistent with prior predictions, the results suggest that a future warmer and drier climate may cause losses of forest soil C at high elevations in the southern Appalachian Mountains. C1 Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Garten, CT (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008,Mail Stop 6036, Oak Ridge, TN 37831 USA. EM gartenctjr@ornl.gov FU U. S. Department of Energy; Office of Science, Biological and Environmental Research/Terrestrial Carbon [DE-AC05-00OR22725]; Oak Ridge National Laboratory (ORNL) FX This research was sponsored by the U. S. Department of Energy, Office of Science, Biological and Environmental Research/Terrestrial Carbon Processes Program under contract DE-AC05-00OR22725 with Oak Ridge National Laboratory (ORNL), managed by UT-Battelle, LLC. I thank Bonnie Lu ( retired) and Deanne Brice ( ORNL) for their valuable technical assistance. The submitted manuscript has been authored by a contractor of the U. S. government under contract DE-AC05-00OR22725. Accordingly, the U. S. government retains a nonexclusive, royalty-free license to publish or reproduce the published form of this contribution, or to allow others to do so, for U. S. government purposes. NR 24 TC 2 Z9 2 U1 0 U2 2 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0010-3624 J9 COMMUN SOIL SCI PLAN JI Commun. Soil Sci. Plant Anal. PY 2008 VL 39 IS 19-20 BP 2883 EP 2893 AR PII 905632376 DI 10.1080/00103620802432808 PG 11 WC Agronomy; Plant Sciences; Chemistry, Analytical; Soil Science SC Agriculture; Plant Sciences; Chemistry GA 374BS UT WOS:000261017900008 ER PT J AU Burr, T Fry, H McVey, B Sander, E Cavanaugh, J Neath, A AF Burr, Tom Fry, Herb McVey, Brian Sander, Eric Cavanaugh, Joseph Neath, Andrew TI Performance of variable selection methods in regression using variations of the Bayesian information criterion SO COMMUNICATIONS IN STATISTICS-SIMULATION AND COMPUTATION LA English DT Article DE approximate Bayesian posterior probabilities; Bayesian information criterion (BIC); image analysis; variable selection ID MODELS AB The Bayesian information criterion (BIC) is widely used for variable selection. We focus on the regression setting for which variations of the BIC have been proposed. A version that includes the Fisher Information matrix of the predictor variables performed best in one published study. In this article, we extend the evaluation, introduce a performance measure involving how closely posterior probabilities are approximated, and conclude that the version that includes the Fisher Information often favors regression models having more predictors, depending on the scale and correlation structure of the predictor matrix. In the image analysis application that we describe, we therefore prefer the standard BIC approximation because of its relative simplicity and competitive performance at approximating the true posterior probabilities. C1 [Burr, Tom] Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM 87545 USA. [Fry, Herb; McVey, Brian] Los Alamos Natl Lab, Phys Chem & Appl Spect Grp, Los Alamos, NM USA. [Sander, Eric] Natl Nucl Secur Adm, Off Def Nucl Nonproliferat, Washington, DC USA. [Cavanaugh, Joseph] Univ Iowa, Coll Publ Hlth, Dept Biostat, Iowa City, IA USA. [Neath, Andrew] So Illinois Univ, Dept Math & Stat, Edwardsville, IL 62026 USA. RP Burr, T (reprint author), Los Alamos Natl Lab, Stat Sci Grp, Los Alamos, NM 87545 USA. EM tburr@lanl.gov NR 19 TC 7 Z9 7 U1 2 U2 5 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0361-0918 J9 COMMUN STAT-SIMUL C JI Commun. Stat.-Simul. Comput. PY 2008 VL 37 IS 3 BP 507 EP 520 DI 10.1080/03610910701812428 PG 14 WC Statistics & Probability SC Mathematics GA 308JU UT WOS:000256386500005 ER PT B AU Silverman, MJ AF Silverman, M. Joshua BE Pursell, C TI Nuclear Technology SO COMPANION TO AMERICAN TECHNOLOGY LA English DT Article; Book Chapter C1 [Silverman, M. Joshua] US DOE, Off Environm Safety & Hlth, Washington, DC 20585 USA. RP Silverman, MJ (reprint author), US DOE, Off Environm Safety & Hlth, Washington, DC 20585 USA. NR 37 TC 0 Z9 0 U1 0 U2 0 PU BLACKWELL SCIENCE PUBL PI OXFORD PA OSNEY MEAD, OXFORD OX2 0EL, ENGLAND BN 978-0-47069-608-8 PY 2008 BP 298 EP 320 DI 10.1002/9780470696088.ch16 D2 10.1002/9780470696088 PG 23 WC History SC History GA BYG11 UT WOS:000298541700017 ER PT J AU Adib, P Hurlbut, D AF Adib, Parviz Hurlbut, David BE Sioshansi, FP TI Market Power and Market Monitoring SO COMPETITIVE ELECTRICITY MARKETS: DESIGN, IMPLEMENTATION, PERFORMANCE LA English DT Article; Book Chapter ID COMPETITION AB Competitive electricity markets are prone to abuse of market power by dominant generators or firms with strategic assets under a number of circumstances. Experience suggests that when these conditions are present and a vigilant watchdog is absent, firms may be tempted to exercise their market power to manipulate prices in a number of ways, harming consumers and other market participants in the process. This chapter provides an overview of how market power can be exercised and how effective market monitoring can prevent abusing practices. C1 [Adib, Parviz] Automated Power Exchange, Santa Clara, CA USA. [Hurlbut, David] Natl Renewable Energy Lab, Golden, CO USA. RP Adib, P (reprint author), Automated Power Exchange, Santa Clara, CA USA. NR 21 TC 1 Z9 1 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-055771-7 PY 2008 BP 267 EP 296 DI 10.1016/B978-008047172-3.50011-8 PG 30 WC Economics; Environmental Studies SC Business & Economics; Environmental Sciences & Ecology GA BEM94 UT WOS:000317415300010 ER PT J AU Haas, R Meyer, NI Held, A Finon, D Lorenzoni, A Wiser, R Nishio, KI AF Haas, Reinhard Meyer, Niels I. Held, Anne Finon, Dominique Lorenzoni, Arturo Wiser, Ryan Nishio, Ken-Ichiro BE Sioshansi, FP TI Promoting Electricity from Renewable Energy Sources - Lessons Learned from the EU, United States, and Japan SO COMPETITIVE ELECTRICITY MARKETS: DESIGN, IMPLEMENTATION, PERFORMANCE LA English DT Article; Book Chapter ID PORTFOLIO STANDARD AB The promotion of electricity generated from renewable energy sources (RES) has recently gained high priority in the energy policy strategies of many countries in response to concerns about global climate change, energy security, and other reasons. This chapter compares and contrasts the experience of a number of countries in Europe, states in the United States as well as Japan in promoting RES, identifying what appear to be the most successful policy measures. C1 [Haas, Reinhard] Vienna Univ Technol, Energy Econ Grp, A-1040 Vienna, Austria. [Meyer, Niels I.] Tech Univ Denmark, BYG, DK-2800 Lyngby, Denmark. [Held, Anne] Fraunhofer Inst Syst & Innovat Res, Karlsruhe, Germany. [Finon, Dominique] CIRED, Nogent Sur Marne, France. [Lorenzoni, Arturo] Bocconi Univ, IEFE, Milan, Italy. [Wiser, Ryan] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Nishio, Ken-Ichiro] Cent Res Inst Elect Power Ind, Tokyo 201, Japan. RP Haas, R (reprint author), Vienna Univ Technol, Energy Econ Grp, A-1040 Vienna, Austria. OI Lorenzoni, Arturo/0000-0002-4935-8236 NR 39 TC 12 Z9 12 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-055771-7 PY 2008 BP 419 EP 468 DI 10.1016/B978-008047172-3.50016-7 PG 50 WC Economics; Environmental Studies SC Business & Economics; Environmental Sciences & Ecology GA BEM94 UT WOS:000317415300015 ER PT S AU Grest, GS in't Veld, PJ Lechman, JB AF Grest, Gary S. in't Veld, Pieter J. Lechman, Jeremy B. BE Tokuyama, M Oppenheim, I Nishiyama, H TI Molecular simulations of nanoparticles in an explicit solvent SO COMPLEX SYSTEMS-BOOK 1 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 5th International Workshop on Complex Systems CY SEP 25-28, 2007 CL Sendai, JAPAN DE nanoparticle; rheology; simulations; suspensions ID DYNAMICS SIMULATION; POLYMER-NANOCOMPOSITE; STOKESIAN DYNAMICS; CONCENTRATED COLLOIDS; BROWNIAN DYNAMICS; PARTICLE MODEL; RHEOLOGY; SUSPENSIONS AB Results of large scale equilibrium and non-equilibrium molecular dynamics (NEMD) simulations are presented for nanoparticles in an explicit solvent. The nanoparticles are: modeled as a uniform distribution of Lennard-Jones particles, while the solvent is represented by standard Lennard-Jones particles. Unlike hard sphere models, the nanoparticles and solvent do not phase separate for disparate sizes of nanoparticles and solvent, which allows us to study the static and dynamic properties of nanoparticle suspensions with an explicit solvent. Here we present results for nanoparticles of size 5 to 20 times that of the solvent for a range of concentrations from 7 to 40% volume fraction. The nanoparticles are found to segregate to the liquid/vapor interface or repel the interface depending on the relative strength of the nanoparticle/nanoparticle and nanoparticle/solvent interactions. Results from NEMD simulations suggest that the shear rheology of the suspension depends only on the nanoparticle concentration not the size of the nanoparticle, even for nanoparticles as small as 5 times that of the solvent. C1 [Grest, Gary S.; in't Veld, Pieter J.; Lechman, Jeremy B.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Grest, GS (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 42 TC 1 Z9 1 U1 2 U2 9 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0501-1 J9 AIP CONF PROC PY 2008 VL 982 BP 304 EP 311 PG 8 WC Nanoscience & Nanotechnology; Mechanics; Physics, Applied; Polymer Science SC Science & Technology - Other Topics; Mechanics; Physics; Polymer Science GA BHK30 UT WOS:000253834300052 ER PT S AU Uchida, N Grest, GS Everaers, R AF Uchida, N. Grest, Gary S. Everaers, Ralf BE Tokuyama, M Oppenheim, I Nishiyama, H TI Viscoelasticity of entangled semiflexible polymers via primitive path analysis SO COMPLEX SYSTEMS-BOOK 1 SE AIP Conference Proceedings LA English DT Proceedings Paper CT 5th International Workshop on Complex Systems CY SEP 25-28, 2007 CL Sendai, JAPAN DE Brownian dynamics; molecular dynamics; rheology; scaling theory; semiflexible polymers ID LIQUIDS AB Viscoelasticity of entangled semiflexible polymers in the plateau frequency regime is investigated. We combine computer simulations and scaling arguments to develop a unified view of polymer entanglement based on primitive path analysis. The plateau modulus is obtained as a function of the dimensionless segment density. Our theoretical and numerical results agree well with the experimental data over a wide range of stiffness/density. C1 [Uchida, N.] Tohoku Univ, Dept Phys, Sendai, Miyagi 9808578, Japan. [Grest, Gary S.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Everaers, Ralf] Ecole Normale Super Lyon, Phys Lab, F-69364 Lyon, France. RP Uchida, N (reprint author), Tohoku Univ, Dept Phys, Sendai, Miyagi 9808578, Japan. RI Everaers, Ralf/K-2228-2013 OI Everaers, Ralf/0000-0002-6843-2753 FU Japan's Ministry of Education, Culture, Sports, Science and Technology; United States department of Energy's National Nuclear Security Administration [de-AC04-94AL85000] FX We acknowledge helpful discussions with K. Kremer and C. Svaneborg as well as help from S. Sukumaran in the conversion of the exprimental data to the dimensionaless form in Fig. 1. NU acknowledges financial support by Grand-in-Aid for Scientific Research from Japan's Ministry of Education, Culture, Sports, Science and Technology, and the hospitality of the Max-Planck-Institute for Polymer Research in Mainz where we started to develop the simulation code. 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 9 TC 0 Z9 0 U1 1 U2 7 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0501-1 J9 AIP CONF PROC PY 2008 VL 982 BP 536 EP + PG 2 WC Nanoscience & Nanotechnology; Mechanics; Physics, Applied; Polymer Science SC Science & Technology - Other Topics; Mechanics; Physics; Polymer Science GA BHK30 UT WOS:000253834300099 ER PT J AU Pedersen, PS AF Pedersen, Paul S. TI An algebraic approach to solving boundary value problems SO COMPLEX VARIABLES AND ELLIPTIC EQUATIONS LA English DT Article DE boundary value problem; commutative algebra; Clifford analysis; residue class ring AB Let P(y(1),..., y(n)), Q(y(1),..., y(n)) be polynomials in R[y(1),..., y(n)] and let Q = Z(Q(y(1),..., y(n))) = {(r(1),..., r(n)) is an element of R(n) |Q(r(1),..., r(n) ) = 0} be the real algebraic set associated with Q(y(1),..., y(n)) and let (Q) over cap be a compact subset of the algebraic set Q. We describe an algebraic approach for solving the general boundary value problem (BVP): given partial differential equation (PDE) P((partial derivative/partial derivative x(1),..., (partial derivative/partial derivative x(n))) and a continuous function q : (Q) over cap -> R, find u(x(1),..., x(n)) is an element of R[[x(1),..., x(n)]] so that P(partial derivative/partial derivative x(1),..., partial derivative/partial derivative x(n))u(x(1),..., x(n)) = 0 and u(x(1),..., x(n))|(Q) over cap = q. We will show how the general technique applies in the case that P(y) is a homogeneous polynomial of degree deg(P(y)) and Q(y) =P(y) + (P) over cap (y), where (P) over cap (y) is a polynomial having deg((P) over cap (y)) < deg(P(y)) and prove that the solution is unique in this case. This article brings together ideas from partial differential equations, a generalization of the theory of functions of a complex variable and the theory of commutative algebras. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Pedersen, PS (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM pedersen@lanl.gov NR 12 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 1747-6933 J9 COMPLEX VAR ELLIPTIC JI Complex Var. Elliptic Equ. PY 2008 VL 53 IS 9 BP 803 EP 816 DI 10.1080/17476930802045812 PG 14 WC Mathematics SC Mathematics GA V12JT UT WOS:000207596200001 ER PT J AU Jones, RW Ng, Y McClelland, JF AF Jones, Roger W. Ng, Yeow McClelland, John F. TI Monitoring ambient-temperature aging of a carbon-fiber/epoxy composite prepreg with photoacoustic spectroscopy SO COMPOSITES PART A-APPLIED SCIENCE AND MANUFACTURING LA English DT Article DE prepreg; environmental degradation; chemical analysis; prepreg out-time ID EPOXY PREPREG; TACK AB Carbon-fiber/epoxy prepreg sheet was aged at room temperature under low humidity for up to 60 days. At various times during the aging, intact prepreg specimens were analyzed by infrared photoacoustic spectroscopy and laminates were made from the prepreg and tested for interlaminar shear strength. Over the 60 days, the spectra showed small but quantitative changes, but the shear strengths decreased by less than their uncertainty. Partial least squares modeling of the spectra allowed both the prepreg age and the shear strength to be determined from the prepreg spectra. The standard errors of cross-validation for the partial least squares models were 1.47 days for prepreg age and 1.4 MPa for interlaminar shear strength of the resulting laminates. (c) 2008 Elsevier Ltd. All rights reserved. C1 [Jones, Roger W.; McClelland, John F.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. [Ng, Yeow] Wichita State Univ, Natl Inst Aviat Res, Natl Ctr Adv Mat Performance, Wichita, KS 67260 USA. RP Jones, RW (reprint author), Iowa State Univ, Ames Lab, 109 Spedding Hall, Ames, IA 50011 USA. EM jonesrw@ameslab.gov NR 24 TC 16 Z9 17 U1 0 U2 8 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1359-835X J9 COMPOS PART A-APPL S JI Compos. Pt. A-Appl. Sci. Manuf. PY 2008 VL 39 IS 6 BP 965 EP 971 DI 10.1016/j.compositesa.2008.03.015 PG 7 WC Engineering, Manufacturing; Materials Science, Composites SC Engineering; Materials Science GA 317IZ UT WOS:000257014700006 ER PT S AU Kawano, T Chadwick, MB Talou, P Young, PG Bonneau, L AF Kawano, T. Chadwick, M. B. Talou, P. Young, P. G. Bonneau, L. BA Escher, J BF Escher, J BE Dietrich, FS Kawano, T Thompson, IJ TI Nuclear reaction data for nuclear technologies and applications SO COMPOUND-NUCLEAR REACTIONS AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Workshop on Compound-Nuclear Reactions and Related Topics CY OCT 22-26, 2007 CL Oakhurst, CA SP N Div Lawrence Livermore Natl Lab, Theoret Div Los Alamos Natl Lab DE nuclear data; fission; radiative capture; astrophysics ID RADIATIVE-CAPTURE; STATISTICAL-THEORY; CROSS-SECTIONS; MULTISTEP COMPOUND; NEUTRON-CAPTURE; GRIFFIN MODEL; DATA LIBRARY; SEMI-DIRECT; DEPENDENCE; JENDL-3.3 AB We discuss how nuclear reaction theories and experimental data are utilized in many different application fields. The neutron-induced compound nuclear reactions, which take place from the sub-eV energy range up to tens of MeV, are the most important mechanisms to analyze the experimental data, to predict unknown reaction cross sections, to evaluate the nuclear data for databases, and to reduce the uncertainties. Improvement of predictive-power of nuclear reaction theories still requires further development of compound nuclear reaction theories for fission and radiative capture processes, since these reaction cross sections are especially important for nuclear science and technologies. An acceptable accuracy of these cross-sections has been achieved only if they were experimentally confirmed. C1 [Kawano, T.; Talou, P.; Young, P. G.] Los Alamos Natl Lab, Nucl Phys T 16, Los Alamos, NM 87545 USA. [Chadwick, M. B.] Los Alamos Natl Lab, Appl Phys X 1, Los Alamos, NM 87545 USA. [Bonneau, L.] CEN Bordeaux Gradignan, F-33175 Gradignan, France. RP Kawano, T (reprint author), Los Alamos Natl Lab, Nucl Phys T 16, Los Alamos, NM 87545 USA. FU National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396] FX This work was carried out under the auspices of the National Nuclear Security Administration of the U.S. Department of Energy at Los Alamos National Laboratory under Contract No. DE-AC52-06NA25396. NR 45 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 978-0-7354-0524-0 J9 AIP CONF PROC PY 2008 VL 1005 BP 17 EP + PG 3 WC Physics, Nuclear SC Physics GA BHR38 UT WOS:000255660900003 ER PT S AU Firestone, RB Krticka, M McNabb, DP Sleaford, B Agvaanluvsan, U Belgya, T Revay, Z AF Firestone, R. B. Krticka, M. McNabb, D. P. Sleaford, B. Agvaanluvsan, U. Belgya, T. Revay, Zs. BA Escher, J BF Escher, J BE Dietrich, FS Kawano, T Thompson, IJ TI New methods for the determination of total radiative thermal neutron capture cross sections SO COMPOUND-NUCLEAR REACTIONS AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Workshop on Compound-Nuclear Reactions and Related Topics CY OCT 22-26, 2007 CL Oakhurst, CA SP N Div Lawrence Livermore Natl Lab, Theoret Div Los Alamos Natl Lab DE total thermal radiative neutron capture cross sections; statistical model calculations AB Precise gamma-ray thermal neutron capture cross sections have been measured at the Budapest Reactor for all elements with Z=1-83,92 except for He and Pm. These measurements and additional data from the literature been compiled to generate the Evaluated Gamma-ray Activation File (EGAF), which is disseminated by LBNL and the IAEA. These data are nearly complete for most isotopes with Z < 20 so the total radiative thermal neutron capture cross sections can be determined directly from the decay scheme. For light isotopes agreement with the recommended values is generally satisfactory although large discrepancies exist for B-11, C-12,C-13, N-15, Si-28,Si-30, S-34, Cl-37, and K-40,K-41. Neutron capture decay data for heavier isotopes are typically incomplete due to the contribution of unresolved continuum transitions so only partial radiative thermal neutron capture cross sections can be determined. The contribution of the continuum to the neutron capture decay scheme arises from a large number of unresolved levels and transitions and can be calculated by assuming that the fluctuations in level densities and transition probabilities are statistical. We have calculated the continuum contribution to neutron capture decay for the palladium isotopes with the Monte Carlo code DICEBOX. These calculations were normalized to the experimental cross sections deexciting low excitation levels to determine the total radiative thermal neutron capture cross section. The resulting palladium cross sections values were determined with a precision comparable to the recommended values even when only one gamma-ray cross section was measured. The calculated and experimental level feedings could also be compared to determine spin and parity assignments for low-lying levels. C1 [Firestone, R. B.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Krticka, M.] Charles Univ Prague, Fac Math & Phys, CZ-18000 Prague 8, Czech Republic. [Krticka, M.] North Carolina State Univ, Raleigh, NC 27695 USA. [McNabb, D. P.; Sleaford, B.; Agvaanluvsan, U.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Belgya, T.; Revay, Zs.] Inst Isotopes & Surface Chem, H-1525 Budapest, Hungary. RP Firestone, RB (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. OI Firestone, Richard/0000-0003-3833-5546 FU U.S. Department of Energy by the University of California; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy at Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; Lawrence Livermore National Laboratory [W-7405-Eng-48]; National Nuclear Security Administration Academic Alliance [DEFG52-06NA26194]; research plan MSM [002162 0859] FX This work was performed under the auspices of the U.S. Department of Energy by the University of California, supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy at Lawrence Berkeley National Laboratory under Contract No. DE-AC02-05CH11231 and at Lawrence Livermore National Laboratory under Contract W-7405-Eng-48. Support was also provided by National Nuclear Security Administration Academic Alliance grant No. DEFG52-06NA26194, and by the research plan MSM 002162 0859 supplied by the Ministry of Education of the Czech Republic. NR 17 TC 6 Z9 6 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 978-0-7354-0524-0 J9 AIP CONF PROC PY 2008 VL 1005 BP 26 EP + PG 2 WC Physics, Nuclear SC Physics GA BHR38 UT WOS:000255660900004 ER PT S AU Jandel, M Bredeweg, TA Bond, EM Chadwick, MB Clement, RR Couture, A O'Donnell, JM Haight, RC Reifarth, R Rundberg, RS Ullmann, JL Vieira, DJ Wilhelmy, JB Wouters, JM Macri, RA Wu, CY Becker, JA AF Jandel, M. Bredeweg, T. A. Bond, E. M. Chadwick, M. B. Clement, R. R. Couture, A. O'Donnell, J. M. Haight, R. C. Reifarth, R. Rundberg, R. S. Ullmann, J. L. Vieira, D. J. Wilhelmy, J. B. Wouters, J. M. Macri, R. A. Wu, C. Y. Becker, J. A. BA Escher, J BF Escher, J BE Dietrich, FS Kawano, T Thompson, IJ TI Am-241(n,gamma) cross section in the neutron energy region between 0.02 eV and 300 keV SO COMPOUND-NUCLEAR REACTIONS AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Workshop on Compound-Nuclear Reactions and Related Topics CY OCT 22-26, 2007 CL Oakhurst, CA SP N Div Lawrence Livermore Natl Lab, Theoret Div Los Alamos Natl Lab DE americium-241; radiative capture cross section; capture gamma-ray calorimetry ID LUJAN-CENTER; CAPTURE; AM-241; JENDL-3.3; DETECTOR AB The Detector for Advanced Neutron Capture Experiments (DANCE) at Los Alamos National Laboratory (LANL) was used for a neutron capture cross section measurement on Am-241. The high granularity of the DANCE array (160 BaF2 detectors in a 4 pi geometry) enables an efficient detection of prompt gamma rays following neutron capture. The preliminary results on the Am-241(n,gamma) cross section are presented from 0.02 eV to 300 keV. The cross section at thermal energy E-n = 0.0253eV was determined to be 665 +/- 33 bams. Resonance parameters were obtained using the SAMMY7 fit to the measured cross section in the resonance region. Significant discrepancies were found between our results and data evaluations for the first three lowest lying resonances. The cross section for neutrons with E-n > 1 keV agrees well with the ENDF/B-VII.0 and JENDL-3.3 evaluations. C1 [Jandel, M.; Bredeweg, T. A.; Bond, E. M.; Chadwick, M. B.; Clement, R. R.; Couture, A.; O'Donnell, J. M.; Haight, R. C.; Reifarth, R.; Rundberg, R. S.; Ullmann, J. L.; Vieira, D. J.; Wilhelmy, J. B.; Wouters, J. M.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. [Macri, R. A.; Wu, C. Y.; Becker, J. A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Jandel, M (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. FU U.S. Department of Energy at Los Alamos National Laboratory by the Los Alamos National Security, LLC [DE-AC52-06NA25396]; Lawrence Livermore National Laboratory by the Lawrence Livermore National Security, LLC [DE-AC52-07NA27344] FX The authors would like to thank Dr. L. Leal of Oak Ridge National Laboratory, for the guidence and help with the SAMMY7 fitting code. This work henefited from the use of the LANSCE accelerator facility. Work was performed under the auspices of the U.S. Department of Energy at Los Alamos National Laboratory by the Los Alamos National Security, LLC under Contract No. DE-AC52-06NA25396 and at Lawrence Livermore National Laboratory by the Lawrence Livermore National Security, LLC under Contract No. DE-AC52-07NA27344. NR 21 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 978-0-7354-0524-0 J9 AIP CONF PROC PY 2008 VL 1005 BP 30 EP + PG 2 WC Physics, Nuclear SC Physics GA BHR38 UT WOS:000255660900005 ER PT S AU Oh, SY Kawano, T Kahler, S Dashdorj, D Cowell, S AF Oh, S. Y. Kawano, T. Kahler, S. Dashdorj, D. Cowell, S. BA Escher, J BF Escher, J BE Dietrich, FS Kawano, T Thompson, IJ TI Nuclear reaction data on titanium isotopes SO COMPOUND-NUCLEAR REACTIONS AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Workshop on Compound-Nuclear Reactions and Related Topics CY OCT 22-26, 2007 CL Oakhurst, CA SP N Div Lawrence Livermore Natl Lab, Theoret Div Los Alamos Natl Lab DE nuclear reaction modeling; resonance; titanium; ENDF/B; criticality benchmark ID ENDF/B-VII.0 AB We evaluated the nuclear data on titanium isotopes, Ti46-50. We used GNASH, a Hauser-Feshbach reaction model code, for the threshold reactions and CoH for the total and capture cross sections. While we calculated the transmission coefficients using well-known optical potentials for the GNASH calculation, we adjusted the level density and the pre-equilibrium parameters by taking into account the LANSCE/GEANIE experiment on Ti-48 reaction cross sections as well as other experiments available for (n,p), (n,alpha), etc. The direct inelastic scattering was also included by using the coupled-channel calculation and the DWBA method. The coupled-channels potential was assumed to be similar to the spherical potential of Koning and Delaroche with proper deformation parameters. Meanwhile we investigated the resolved resonance parameters in the energy region below several hundred keV. In essence, we adopted the parameters from the Mughabghab's 2006 compilation, making some adjustments to mainly reproduce the reference thermal cross sections. This new evaluation was validated with the MCNP calculations of k-eff"s on seven hard-spectrum criticality experiments that involve Ti as a reflector or moderator. C1 [Oh, S. Y.; Kawano, T.; Kahler, S.; Cowell, S.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. [Dashdorj, D.] North Carolina State Univ, Raleigh, NC 27695 USA. RP Oh, SY (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 12 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 978-0-7354-0524-0 J9 AIP CONF PROC PY 2008 VL 1005 BP 34 EP + PG 2 WC Physics, Nuclear SC Physics GA BHR38 UT WOS:000255660900006 ER PT S AU Dean, DJ AF Dean, D. J. BA Escher, J BF Escher, J BE Dietrich, FS Kawano, T Thompson, IJ TI Understanding nuclei: progress and challenges SO COMPOUND-NUCLEAR REACTIONS AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Workshop on Compound-Nuclear Reactions and Related Topics CY OCT 22-26, 2007 CL Oakhurst, CA SP N Div Lawrence Livermore Natl Lab, Theoret Div Los Alamos Natl Lab DE nuclear structure; exotic nuclei; computing ID QUANTUM-SYSTEMS; CONTINUUM; STATES; FIELD; MODEL AB Nuclear theory today aims for a comprehensive theoretical framework that can describe all nuclei. I discuss recent progress in this pursuit and the associated challenges as we move forward, paying particular attention to progress in the applications of coupled-cluster theory to the challenges. C1 Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. RP Dean, DJ (reprint author), Oak Ridge Natl Lab, Div Phys, POB 2008, Oak Ridge, TN 37831 USA. OI Dean, David/0000-0002-5688-703X NR 41 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 978-0-7354-0524-0 J9 AIP CONF PROC PY 2008 VL 1005 BP 41 EP 46 PG 6 WC Physics, Nuclear SC Physics GA BHR38 UT WOS:000255660900007 ER PT S AU Sheets, SA AF Sheets, S. A. BA Escher, J BF Escher, J BE Dietrich, FS Kawano, T Thompson, IJ TI Is there a low-energy enhancement in the photon strength function in molybdenum? SO COMPOUND-NUCLEAR REACTIONS AND RELATED TOPICS SE AIP CONFERENCE PROCEEDINGS LA English DT Proceedings Paper CT International Workshop on Compound-Nuclear Reactions and Related Topics CY OCT 22-26, 2007 CL Oakhurst, CA SP N Div Lawrence Livermore Natl Lab, Theoret Div Los Alamos Natl Lab DE photon strength function; resonance neutron capture; Mo-96; gamma-ray spectroscopy AB Recent claims of a low-energy enhancement in the photon strength function of Mo-96 are investigated. Using the DANCE detector the gamma-ray spectra following resonance neutron capture was measured. The spectrum fitting method was used to indirectly extract a photon strength function from the gamma-ray spectra. No strong low energy enhancement in the photon strength function was found. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Sheets, SA (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. 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 978-0-7354-0524-0 J9 AIP CONF PROC PY 2008 VL 1005 BP 74 EP 76 PG 3 WC Physics, Nuclear SC Physics GA BHR38 UT WOS:000255660900014 ER PT S AU Gibelin, J Phair, L Wiedeking, M Bernstein, LA Burke, JT Bleuel, DL Clark, RM Cromaz, M Deleplanque, MA Fallon, P Hatarik, R Lake, PT Lee, IY Lesher, SR Lyles, BF Macchiavelli, AO McMahan, MA Rodriguez-Vieitez, E Moretto, LG AF Gibelin, J. Phair, L. Wiedeking, M. Bernstein, L. A. Burke, J. T. Bleuel, D. L. Clark, R. M. Cromaz, M. Deleplanque, M-A. Fallon, P. Hatarik, R. Lake, P. T. Lee, I-Y. Lesher, S. R. Lyles, B. F. Macchiavelli, A. O. McMahan, M. A. Rodriguez-Vieitez, E. Moretto, L. G. BA Escher, J BF Escher, J BE Dietrich, FS Kawano, T Thompson, IJ TI Fusion-evaporation reactions: a tool for gamma-ray spectroscopy on light nuclei SO COMPOUND-NUCLEAR REACTIONS AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Workshop on Compound-Nuclear Reactions and Related Topics CY OCT 22-26, 2007 CL Oakhurst, CA SP N Div Lawrence Livermore Natl Lab, Theoret Div Los Alamos Natl Lab DE fusion/evaporation reactions; light nuclei; gamma-spectroscopy AB We have studied the weak-decay channels of fusion/evaporation in light projectile/light target systems in order to provide reliable predictions for gamma-spectroscopy experiments. C1 [Gibelin, J.; Phair, L.; Wiedeking, M.; Clark, R. M.; Cromaz, M.; Deleplanque, M-A.; Fallon, P.; Lake, P. T.; Lee, I-Y.; Macchiavelli, A. O.; McMahan, M. A.; Rodriguez-Vieitez, E.; Moretto, L. G.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Bernstein, L. A.; Burke, J. T.; Bleuel, D. L.; Lesher, S. R.; Lyles, B. F.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Hatarik, R.] Rutgers State Univ, New Brunswick, NJ 08854 USA. [Lake, P. T.; Lyles, B. F.; Rodriguez-Vieitez, E.; Moretto, L. G.] Univ Calif Berkeley, Berkeley, CA 94720 USA. RP Gibelin, J (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RI Burke, Jason/I-4580-2012; OI GIBELIN, Julien/0000-0001-6751-3714 FU U.S. Department of Energy [DE-AC02-05CHI1231]; U.S. Department of Energy by the University of California,Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX The authors thank the operations staff of the 88-Inch Cyclotron. Support for Lawrence Berkeley National Laboratory was provided by the U.S. Department of Energy under Contract No. DE-AC02-05CHI1231. Part of this work was performed under the auspices of the U.S. Department of Energy by the University of California,Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. NR 9 TC 3 Z9 3 U1 2 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0524-0 J9 AIP CONF PROC PY 2008 VL 1005 BP 77 EP + PG 2 WC Physics, Nuclear SC Physics GA BHR38 UT WOS:000255660900015 ER PT S AU Escher, J AF Escher, Jutta BA Escher, J BF Escher, J BE Dietrich, FS Kawano, T Thompson, IJ TI Compound-nuclear reaction cross sections from surrogate measurements: Status and challenges SO COMPOUND-NUCLEAR REACTIONS AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Workshop on Compound-Nuclear Reactions and Related Topics CY OCT 22-26, 2007 CL Oakhurst, CA SP N Div Lawrence Livermore Natl Lab, Theoret Div Los Alamos Natl Lab DE compound nucleus; Surrogate reaction; indirect measurement; neutron-induced fission; radiative neutron capture ID ACTINIDE NUCLEI; FISSION; CAPTURE AB The Surrogate nuclear reactions method, an indirect approach for determining cross sections for compound-nuclear reactions involving difficult-to-produce targets, is reviewed. The underlying formalism is outlined, the challenges involved in carrying out a complete Surrogate treatment are detailed, and the present status of the theory is summarized. The approximations employed in the analyses of Surrogate experiments are discussed and their validity is examined. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Escher, J (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RI Escher, Jutta/E-1965-2013 NR 23 TC 3 Z9 3 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 978-0-7354-0524-0 J9 AIP CONF PROC PY 2008 VL 1005 BP 83 EP 89 PG 7 WC Physics, Nuclear SC Physics GA BHR38 UT WOS:000255660900016 ER PT S AU Jurado, B Kessedjian, G Aiche, M Barreau, G Bidaud, A Czajkowski, S Dassie, D Haas, B Mathieu, L Osmanov, B Audouin, L Capellan, N Tassan-Got, L Wilson, JN Berthoumieux, E Gunsing, F Theisen, C Serot, O Bauge, E Ahmad, I Greene, JP Janssens, RVF AF Jurado, B. Kessedjian, G. Aiche, M. Barreau, G. Bidaud, A. Czajkowski, S. Dassie, D. Haas, B. Mathieu, L. Osmanov, B. Audouin, L. Capellan, N. Tassan-Got, L. Wilson, J. N. Berthoumieux, E. Gunsing, F. Theisen, Ch. Serot, O. Bauge, E. Ahmad, I. Greene, J. P. Janssens, R. V. F. BA Escher, J BF Escher, J BE Dietrich, FS Kawano, T Thompson, IJ TI Fission cross sections and fission-fragment mass yields via the surrogate reaction method SO COMPOUND-NUCLEAR REACTIONS AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Workshop on Compound-Nuclear Reactions and Related Topics CY OCT 22-26, 2007 CL Oakhurst, CA SP N Div Lawrence Livermore Natl Lab, Theoret Div Los Alamos Natl Lab DE surrogate reaction technique; neutron-induced fission cross sections; fission fragment mass yields ID TRANSFER-REACTION TH-232(HE-3; NEUTRON FISSION; ACTINIDE NUCLEI; PA-233(N; P)PA-234 AB The surrogate reaction method is a powerful tool to infer neutron-induced data of short-lived nuclei. After a short overview of the experimental techniques employed in the present surrogate experiments, we will concentrate on a recent measurement to determine neutron-induced fission cross sections for the actinides Cm-242,Cm-243 and Am-241. The latest direct neutron-induced measurement for the Cm-243 fission cross section is questioned by our results, since there are differences of more than 60% in the 0.7 to 7 MeV neutron energy range. Our experimental set-up has also enabled us to measure for the first time the fission fragment "pseudo-mass" distributions of Cm-243,Cm-244,Cm-245 and Am-242 compound nuclei in the excitation energy range from a few MeV to about 25 MeV. C1 [Jurado, B.; Kessedjian, G.; Aiche, M.; Barreau, G.; Bidaud, A.; Czajkowski, S.; Dassie, D.; Haas, B.; Mathieu, L.; Osmanov, B.] Univ Bordeaux 1, CENBG, CNRS IN2P3, Chemin Solarium BP 120, F-33175 Gradignan, France. [Audouin, L.; Capellan, N.; Tassan-Got, L.; Wilson, J. N.] Univ Paris 11, CNRS IN2P3, IPN, F-91405 Orsay, France. [Berthoumieux, E.; Gunsing, F.; Theisen, Ch.] CEA Saclay, DSM DAPNIA SPhN, F-91191 Gif Sur Yvette, France. [Serot, O.] CEA Cadarache, DEN DER SPR LEPh, F-13108 St Paul Les Durance, France. [Bauge, E.] CEA, SPN, F-91680 Bruyeres Le Chatel, France. [Ahmad, I.; Greene, J. P.; Janssens, R. V. F.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Jurado, B (reprint author), Univ Bordeaux 1, CENBG, CNRS IN2P3, Chemin Solarium BP 120, F-33175 Gradignan, France. FU CNRS program PACEN/GEDEPEON; Conseil Regional d'Aquitaine; U.S. Department of Energy, Office of Nuclear Physics [DE-ACO2- 06CHI1357] FX We thank the tandem accelerator staff and the target laboratory of the IPN Orsay for their great support during the experiment. This work was partly supported by the CNRS program PACEN/GEDEPEON, the Conseil Regional d'Aquitaine, the U.S. Department of Energy, Office of Nuclear Physics, under contract DE-ACO2- 06CHI1357. The authors are also indebted for the use of 243AM to the Office of Basic Energy Sciences, U.S. Department of Energy, through the transplutonium element production facilities at Oak Ridge National Laboratory. NR 19 TC 5 Z9 5 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 978-0-7354-0524-0 J9 AIP CONF PROC PY 2008 VL 1005 BP 90 EP + PG 2 WC Physics, Nuclear SC Physics GA BHR38 UT WOS:000255660900017 ER PT S AU Phair, L Fallon, P Clark, RM Gibelin, J Jewett, C Lee, IY Macchiavelli, AO McMahan, MA Moretto, LG Rodriguez-Vieitez, E Wiedeking, M AF Phair, L. Fallon, P. Clark, R. M. Gibelin, J. Jewett, C. Lee, I. Y. Macchiavelli, A. O. McMahan, M. A. Moretto, L. G. Rodriguez-Vieitez, E. Wiedeking, M. BA Escher, J BF Escher, J BE Dietrich, FS Kawano, T Thompson, IJ TI Surrogate reactions in the actinide region SO COMPOUND-NUCLEAR REACTIONS AND RELATED TOPICS SE AIP CONFERENCE PROCEEDINGS LA English DT Proceedings Paper CT International Workshop on Compound-Nuclear Reactions and Related Topics CY OCT 22-26, 2007 CL Oakhurst, CA SP N Div Lawrence Livermore Natl Lab, Theoret Div Los Alamos Natl Lab DE surrogate reaction; actinide; fission ID CROSS-SECTIONS AB Over the past three years we have studied various surrogate reactions (d,p), (He-3,t), (alpha,alpha') on several uranium isotopes U-234, U-235, U-236, and U-238. An overview of the STARS/LIBERACE surrogate research program as it pertains to the actinides is discussed. A summary of results to date will be presented along with a discussion of experimental difficulties encountered in surrogate experiments and future research directions. C1 [Phair, L.; Fallon, P.; Clark, R. M.; Gibelin, J.; Jewett, C.; Lee, I. Y.; Macchiavelli, A. O.; McMahan, M. A.; Moretto, L. G.; Rodriguez-Vieitez, E.; Wiedeking, M.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Phair, L (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RI Burke, Jason/I-4580-2012; Escher, Jutta/E-1965-2013; OI GIBELIN, Julien/0000-0001-6751-3714; Allmond, James Mitchell/0000-0001-6533-8721 NR 9 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 978-0-7354-0524-0 J9 AIP CONF PROC PY 2008 VL 1005 BP 96 EP 100 PG 5 WC Physics, Nuclear SC Physics GA BHR38 UT WOS:000255660900018 ER PT S AU Basunia, MS Clark, RM Bernstein, LA Lyles, BF Burke, JT Beausang, CW Bleuel, DL Darakchieva, B Dietrich, FS Evtimova, M Fallon, P Gibelin, J Lesher, SR McMahan, MA Phair, L Rodriguez-Vieitez, E Wiedeking, M AF Basunia, M. S. Clark, R. M. Bernstein, L. A. Lyles, B. F. Burke, J. T. Beausang, C. W. Bleuel, D. L. Darakchieva, B. Dietrich, F. S. Evtimova, M. Fallon, P. Gibelin, J. Lesher, S. R. McMahan, M. A. Phair, L. Rodriguez-Vieitez, E. Wiedeking, M. BA Escher, J BF Escher, J BE Dietrich, FS Kawano, T Thompson, IJ TI Study of the (He-3, t) charge transfer reaction as a surrogate for neutron energy between 10 to 20 MeV SO COMPOUND-NUCLEAR REACTIONS AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Workshop on Compound-Nuclear Reactions and Related Topics CY OCT 22-26, 2007 CL Oakhurst, CA SP N Div Lawrence Livermore Natl Lab, Theoret Div Los Alamos Natl Lab DE surrogate; pre-equilibrium; fission cross section; charge-exchange reaction ID CROSS-SECTIONS AB We have indirectly determined the Np-237(nf) cross section over an equivalent neutron energy range from 10 to 20 MeV using the surrogate reaction U-238(He-3,tf). A self-supporting similar to 761 mu g/cm(2) metallic U-238 foil was bombarded with a 42 MeV 3He2+ beam from the 88-Inch Cyclotron at Lawrence Berkeley National Laboratory (LBNL). Outgoing charged particles and fission fragments were identified using the Silicon Telescope Array for Reaction Studies (STARS) consisted of two 140 pm and one 1000 mu m Micron S2 type silicon detectors. These results were compared with the Np-237(n,f) cross section data from the direct measurements, the Evaluated Nuclear Data File (ENDF/B-VII.0), and the Japanese Evaluated Nuclear Data Library (JENDL 3.3) and found to closely follow those datasets. C1 [Basunia, M. S.; Clark, R. M.; Bleuel, D. L.; Fallon, P.; Gibelin, J.; McMahan, M. A.; Phair, L.; Rodriguez-Vieitez, E.; Wiedeking, M.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Bernstein, L. A.; Lyles, B. F.; Burke, J. T.; Dietrich, F. S.] Lawrence Livermore Natl Lab, Livermore, CA 94511 USA. [Beausang, C. W.; Darakchieva, B.; Evtimova, M.; Lesher, S. R.] Univ Richmond, Dept Phys, Richmond, VA 23173 USA. RP Basunia, MS (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RI Burke, Jason/I-4580-2012 FU U. S. Department of Energy by the University of California, Lawrence Berkeley National Laboratory [DE-AC03-76SF0098]; LDRD project, Lawrence Livermore National Laboratory [W-7405-Eng-48]; University of Richmond [DE-FG-05NA25929, DE-FG02-05ER41379] FX We wish to thank the 88-Inch Cyclotron operation team at LBNL for their help in performing the irradiations for this experiment. We are grateful to R. Foreman for making the U target for this experiment. This work was performed under the auspices of the U. S. Department of Energy by the University of California, Lawrence Berkeley National Laboratory under contract No. DE-AC03-76SF0098 and an LDRD project, Lawrence Livermore National Laboratory under Contract No. W-7405-Eng-48, and the University of Richmond contract Nos. DE-FG-05NA25929 andDE-FG02-05ER41379. NR 13 TC 0 Z9 0 U1 2 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0524-0 J9 AIP CONF PROC PY 2008 VL 1005 BP 101 EP + PG 2 WC Physics, Nuclear SC Physics GA BHR38 UT WOS:000255660900019 ER PT S AU Hatarik, R Bernstein, LA Burke, JT Cizewski, JA Gibelin, JD Lesher, SR O'Malley, PD Phair, LW Swan, T AF Hatarik, R. Bernstein, L. A. Burke, J. T. Cizewski, J. A. Gibelin, J. D. Lesher, S. R. O'Malley, P. D. Phair, L. W. Swan, T. BA Escher, J BF Escher, J BE Dietrich, FS Kawano, T Thompson, IJ TI Is (d,p gamma) a surrogate for neutron capture? SO COMPOUND-NUCLEAR REACTIONS AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Workshop on Compound-Nuclear Reactions and Related Topics CY OCT 22-26, 2007 CL Oakhurst, CA SP N Div Lawrence Livermore Natl Lab, Theoret Div Los Alamos Natl Lab DE surrogate reactions; neutron capture ID CLOVER AB To benchmark the validity of using the (d,p gamma) reaction as a surrogate for (n,gamma), the Yb-171,Yb-173(d,p gamma) reactions were measured and compared with the neutron capture cross sections measured by Wisshak et al. The (d,p gamma) ratios were measured using an 18.5 MeV deuteron beam from the 88-Inch Cyclotron at LBNL. Preliminary results comparing the surrogate ratios with the known (n,gamma) cross sections are discussed. C1 [Hatarik, R.; Cizewski, J. A.; O'Malley, P. D.; Swan, T.] Rutgers State Univ, Dept Phys & Astron, New Brunswick, NJ 08901 USA. [Bernstein, L. A.; Burke, J. T.; Lesher, S. R.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Gibelin, J. D.; Phair, L. W.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Swan, T.] Univ Surrey, Dept Phys, Guildford, Surrey GU2 7XH, England. RP Hatarik, R (reprint author), Rutgers State Univ, Dept Phys & Astron, New Brunswick, NJ 08901 USA. RI Burke, Jason/I-4580-2012; OI GIBELIN, Julien/0000-0001-6751-3714 FU U.S. Department of Energy [DEFG52-03NA00143, DE-AC02-05CH11231]; National Science Foundation; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX The authors thank the operations staff of the 88-Inch Cyclotron. The Rutgers group was supported in part by the U.S. Department of Energy under grant number DEFG52-03NA00143 and the National Science Foundation. Part of 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 for Lawrence Berkeley National Laboratory was provided by the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 9 TC 9 Z9 9 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 978-0-7354-0524-0 J9 AIP CONF PROC PY 2008 VL 1005 BP 105 EP + PG 2 WC Physics, Nuclear SC Physics GA BHR38 UT WOS:000255660900020 ER PT S AU Scielzo, ND Bernstein, LA Bleuel, DL Burke, JT Lesher, SR Norman, EB Sheets, SA Basunia, MS Clark, RM Fallon, P Gibelin, J Lyles, B McMahan, MA Moretto, LG Phair, LW Rodriguez-Vieitez, E Wiedeking, M Allmond, JM Beausang, CW AF Scielzo, N. D. Bernstein, L. A. Bleuel, D. L. Burke, J. T. Lesher, S. R. Norman, E. B. Sheets, S. A. Basunia, M. S. Clark, R. M. Fallon, P. Gibelin, J. Lyles, B. McMahan, M. A. Moretto, L. G. Phair, L. W. Rodriguez-Vieitez, E. Wiedeking, M. Allmond, J. M. Beausang, C. W. BA Escher, J BF Escher, J BE Dietrich, FS Kawano, T Thompson, IJ TI Determininig the (n,gamma) cross section of Gd-153 using surrogate reactions SO COMPOUND-NUCLEAR REACTIONS AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Workshop on Compound-Nuclear Reactions and Related Topics CY OCT 22-26, 2007 CL Oakhurst, CA SP N Div Lawrence Livermore Natl Lab, Theoret Div Los Alamos Natl Lab DE surrogate reactions; s-process; branch point nuclei; compound nucleus ID S-PROCESS AB The astrophysical s-process is responsible for the synthesis of many of the nuclei heavier than iron through a series of low-energy (n,gamma) reactions and P-decays. For nuclei for which the neutron capture and P-decay rates are comparable, the branching is crucial for tests of s-process models. Direct measurements of (n,gamma) cross sections for these nuclei are extremely challenging due to the inherent difficulties associated with radioactive targets and the low intensity of available neutron beams. The surrogate reaction technique can be used to circumvent these difficulties by creating the same compound nucleus through light-ion reactions on a stable target. The cross section can be determined by combining optical model calculations for the formation of the compound nucleus with the measured exit channel probability for gamma-ray emission. We have collected data to determine the low-energy (n,gamma) cross section for the unstable nucleus Gd-153 by bombarding a stable Gd-154 target with protons from the 88-Inch Cyclotron at the Lawrence Berkeley National Laboratory to create the desired Gd-154* compound nucleus. The STARS/LiBerACE silicon and clover germanium detector arrays were used to detect gamma-rays in coincidence with the scattered protons. Additional cross section measurements using Gd-156 and Gd-158 targets will be compared to direct measurements of the (n,gamma) cross sections for Gd-155 and Gd-157. The current status of the analysis is summarized. C1 [Scielzo, N. D.; Bernstein, L. A.; Bleuel, D. L.; Burke, J. T.; Lesher, S. R.; Norman, E. B.; Sheets, S. A.; Basunia, M. S.; Clark, R. M.; Fallon, P.; Gibelin, J.; Lyles, B.; McMahan, M. A.; Moretto, L. G.; Phair, L. W.; Rodriguez-Vieitez, E.; Wiedeking, M.; Allmond, J. M.; Beausang, C. W.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Scielzo, ND (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. RI Burke, Jason/I-4580-2012 NR 7 TC 7 Z9 7 U1 2 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0524-0 J9 AIP CONF PROC PY 2008 VL 1005 BP 109 EP 112 PG 4 WC Physics, Nuclear SC Physics GA BHR38 UT WOS:000255660900021 ER PT S AU Lesher, SR Bernstein, LA Ai, H Beausang, CW Bleuel, D Burke, JT Clark, RM Fallon, P Gibelin, J Lee, IY Lyles, BF Macchiavelli, AO McMahan, MA Moody, KJ Norman, EB Phair, L Rodriguez-Vieitez, E Wiedeking, M AF Lesher, S. R. Bernstein, L. A. Ai, H. Beausang, C. W. Bleuel, D. Burke, J. T. Clark, R. M. Fallon, P. Gibelin, J. Lee, I. Y. Lyles, B. F. Macchiavelli, A. O. McMahan, M. A. Moody, K. J. Norman, E. B. Phair, L. Rodriguez-Vieitez, E. Wiedeking, M. BA Escher, J BF Escher, J BE Dietrich, FS Kawano, T Thompson, IJ TI Benchmarking the external surrogate ratio method using the (alpha, alpha'f) reaction at STARS SO COMPOUND-NUCLEAR REACTIONS AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Workshop on Compound-Nuclear Reactions and Related Topics CY OCT 22-26, 2007 CL Oakhurst, CA SP N Div Lawrence Livermore Natl Lab, Theoret Div Los Alamos Natl Lab DE surrogate reactions; fission reactions ID FISSION CROSS-SECTIONS AB We measured the ratio of the fission probabilities of U-234* relative to U-236* formed via an (alpha,alpha') direct reactions using the STARS array at the 88-inch cyclotron at the Lawrence Berkeley National Laboratory. This ratio has a shape similar to the ratio of neutron capture probabilities from U-233(n,f) and U-235(n,f), indicating the alpha reactions likely formed a compound nucleus. This result indicates that the ratios of fission exit channel probabilities for two actinide nuclei populated via (a, a') can be used to determine an unknown fission cross section relative to a known one. The validity of the External Surrogate Ratio Method (ESRM) is tested and the results support the conclusions of Burke et al. [1]. C1 [Lesher, S. R.; Bernstein, L. A.; Bleuel, D.; Burke, J. T.; Lyles, B. F.; Moody, K. J.; Norman, E. B.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Lesher, S. R.; Beausang, C. W.] Univ Richmond, Dept Phys, Richmond, VA 23173 USA. [Ai, H.] Yale Univ, New Haven, CT 06520 USA. [Clark, R. M.; Fallon, P.; Gibelin, J.; Macchiavelli, A. O.; McMahan, M. A.; Wiedeking, M.] Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Lesher, SR (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RI Burke, Jason/I-4580-2012 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [W-7405-Eng-48, DE-AC52-07NA27344]; [DEFG52-06NA26206]; [DE-FG02-05ER41379] FX This work is a Lawrence Livermore National Laboratory, Lawrence Berkeley National Laboratory, University of Richmond, and Yale University collaboration and was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory in part under Contract W-7405-Eng-48 and in part under Contract DE-AC52-07NA27344 and Grant Nos. DEFG52-06NA26206 and DE-FG02-05ER41379. NR 11 TC 0 Z9 0 U1 3 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0524-0 J9 AIP CONF PROC PY 2008 VL 1005 BP 113 EP + PG 2 WC Physics, Nuclear SC Physics GA BHR38 UT WOS:000255660900022 ER PT S AU Koehler, PE Guber, KH Harvey, JA Rauscher, T Ullmann, JL Bredeweg, TA O'Donnell, JM Reifarth, R Rundberg, RS Vieira, DJ Wouters, JM AF Koehler, P. E. Guber, K. H. Harvey, J. A. Rauscher, T. Ullmann, J. L. Bredeweg, T. A. O'Donnell, J. M. Reifarth, R. Rundberg, R. S. Vieira, D. J. Wouters, J. M. BA Escher, J BF Escher, J BE Dietrich, FS Kawano, T Thompson, IJ TI Recent experiments at ORELA and LANSCE, and their impact on compound nuclear models SO COMPOUND-NUCLEAR REACTIONS AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Workshop on Compound-Nuclear Reactions and Related Topics CY OCT 22-26, 2007 CL Oakhurst, CA SP N Div Lawrence Livermore Natl Lab, Theoret Div Los Alamos Natl Lab DE neutron; time-of-flight; compound nuclear models ID RESONANCE PARAMETERS; NEUTRON RESONANCES; CROSS-SECTIONS; TH-232; SPECTROSCOPY; SM-147 AB We present results from two recent sets of experiments to demonstrate the continuing impact of neutron time-of-flight data on the underlying assumptions and parameters of compound nuclear models. C1 [Koehler, P. E.; Guber, K. H.; Harvey, J. A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Rauscher, T.] Univ Basel, Dept Phys & Astron, CH-4056 Basel, Switzerland. [Ullmann, J. L.; Bredeweg, T. A.; O'Donnell, J. M.; Reifarth, R.; Rundberg, R. S.; Vieira, D. J.; Wouters, J. M.] Los Alamos Neutron Scattering Ctr, Los Alamos, NM 87545 USA. RP Koehler, PE (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RI Rauscher, Thomas/D-2086-2009; OI Rauscher, Thomas/0000-0002-1266-0642; Koehler, Paul/0000-0002-6717-0771 FU U.S. Department of Energy [DE-AC05-00OR22725 ]; U.S. Department of Energy ; University of California [W-7405-ENG-36] FX This work was supported in part by the U.S. Department of Energy under Contract No. DE-AC05-00OR22725 with UT-Battelle, LLC. This work has benefited from the use of the LANSCE facility at Los Alamos National Laboratory, which was funded by the U.S. Department of Energy and operated by the University of California under Contract W-7405-ENG-36. NR 28 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 978-0-7354-0524-0 J9 AIP CONF PROC PY 2008 VL 1005 BP 119 EP + PG 2 WC Physics, Nuclear SC Physics GA BHR38 UT WOS:000255660900023 ER PT S AU Dietrich, FS AF Dietrich, F. S. BA Escher, J BF Escher, J BE Dietrich, FS Kawano, T Thompson, IJ TI Compound-nucleus formation following direct interactions to highly-excited final states SO COMPOUND-NUCLEAR REACTIONS AND RELATED TOPICS SE AIP CONFERENCE PROCEEDINGS LA English DT Proceedings Paper CT International Workshop on Compound-Nuclear Reactions and Related Topics CY OCT 22-26, 2007 CL Oakhurst, CA SP N Div Lawrence Livermore Natl Lab, Theoret Div Los Alamos Natl Lab DE direct reactions; compound nuclear reactions; fluctuations; direct-semidirect radiative capture AB When direct reactions populate highly excited, unbound configurations in the residual nucleus, the nucleus may further evolve into a compound nucleus. Alternatively, the residual system may decay by emitting particles into the continuum. Understanding the relative weights of these two processes as a function of the angular momentum and parity deposited in the nucleus is important for the surrogate-reaction technique. A particularly interesting case is compound-nucleus formation via the (d,p) reaction, which may be a useful tool for forming compound nuclei off the valley of stability in inverse-kinematics experiments. We present here a study of the compound formation probability for a closely-related direct reaction, direct-semidirect radiative neutron capture. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Dietrich, FS (reprint author), Lawrence Livermore Natl Lab, POB 808,L-414, Livermore, CA 94551 USA. NR 3 TC 7 Z9 7 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 978-0-7354-0524-0 J9 AIP CONF PROC PY 2008 VL 1005 BP 125 EP 128 PG 4 WC Physics, Nuclear SC Physics GA BHR38 UT WOS:000255660900024 ER PT S AU Thompson, IJ Dietrich, FS Escher, JE Dupuis, M AF Thompson, I. J. Dietrich, F. S. Escher, J. E. Dupuis, M. BA Escher, J BF Escher, J BE Dietrich, FS Kawano, T Thompson, IJ TI Compound nucleus contributions to the optical potential SO COMPOUND-NUCLEAR REACTIONS AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Workshop on Compound-Nuclear Reactions and Related Topics CY OCT 22-26, 2007 CL Oakhurst, CA SP N Div Lawrence Livermore Natl Lab, Theoret Div Los Alamos Natl Lab DE optical potential; compound nuclear reactions; direct reactions AB An ab-initio calculation of the optical potential for neutron-nucleus scattering has been performed by explicitly coupling the elastic channel to all the particle-hole (p-h) excitation states in the target. These p-h states may be regarded as doorway states through which the flux flows to more complicated configurations, and (in the end) to long-lived compound nucleus resonances. The random-phase approximation (RPA) provides the linear combinations of p-h states that include the residual interactions within the target, and we show preliminary results for elastic flux loss using both p-h and RPA descriptions of target excitations. C1 [Thompson, I. J.; Dietrich, F. S.; Escher, J. E.] Lawrence Livermore Natl Lab, POB 808,L-414, Livermore, CA 94551 USA. [Dupuis, M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Thompson, IJ (reprint author), Lawrence Livermore Natl Lab, POB 808,L-414, Livermore, CA 94551 USA. RI Escher, Jutta/E-1965-2013 FU U.S.Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; SciDAC [DE-FC02-07ER41457] 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 under SciDAC Contract DE-FC02-07ER41457. NR 13 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 978-0-7354-0524-0 J9 AIP CONF PROC PY 2008 VL 1005 BP 135 EP + PG 2 WC Physics, Nuclear SC Physics GA BHR38 UT WOS:000255660900026 ER PT S AU Dupuis, M Bonneau, L Kawano, T AF Dupuis, Marc Bonneau, Ludovic Kawano, Toshihiko BA Escher, J BF Escher, J BE Dietrich, FS Kawano, T Thompson, IJ TI Quantum preequilibirium multistep direct calculations for nucleon scattering on deformed nuclei: a microscopic approach SO COMPOUND-NUCLEAR REACTIONS AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Workshop on Compound-Nuclear Reactions and Related Topics CY OCT 22-26, 2007 CL Oakhurst, CA SP N Div Lawrence Livermore Natl Lab, Theoret Div Los Alamos Natl Lab DE pre-equilibrium; pre-compound; multistep direct ID STATISTICAL-THEORY; SPECTRA; U-238 AB An introduction of the different quantum mechanics models is given for the calculation of pre-equilibrium multistep direct process for nucleon induced reaction. A practical application is presented for U-238 neutron induced reaction at medium energy (10-20 MeV). The double differential cross-sections are calculated with no adjustable parameter and reproduced the data very well. The cross-sections are expressed as a sum of DWBA transition amplitudes computed with a microscopic two-body interaction. The exited states of the target are expressed as particle-hole excitations built from single particle states obtained with the HF+BCS calculation with a Skyrme force. We also perform a sensitivity study our calculations with respect to the ingredients of the model, namely the two-body interaction which generates the transitions and the target states description. C1 [Dupuis, Marc; Kawano, Toshihiko] Los Alamos Natl Lab, T 16 Nucl Phys, Los Alamos, NM 87545 USA. [Bonneau, Ludovic] Ctr Detude Nucl Bordeau, Gradignan, France. RP Dupuis, M (reprint author), Los Alamos Natl Lab, T 16 Nucl Phys, Los Alamos, NM 87545 USA. FU National Nuclear Security Administration of the U.S.Department of Energy at Los Alamos National Laboratory [DE-AC52-06NA25396] FX This work was carried out under the auspices of the National Nuclear Security Administration of the U.S.Department of Energy at Los Alamos National Laboratory under Contract No. DE-AC52-06NA25396. NR 20 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 978-0-7354-0524-0 J9 AIP CONF PROC PY 2008 VL 1005 BP 154 EP + PG 2 WC Physics, Nuclear SC Physics GA BHR38 UT WOS:000255660900030 ER PT S AU Arbanas, G Bertulani, C Dean, DJ Kerman, AK AF Arbanas, G. Bertulani, C. Dean, D. J. Kerman, A. K. BA Escher, J BF Escher, J BE Dietrich, FS Kawano, T Thompson, IJ TI Statistical properties of Kawai-Kerman-McVoy T-matrix SO COMPOUND-NUCLEAR REACTIONS AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Workshop on Compound-Nuclear Reactions and Related Topics CY OCT 22-26, 2007 CL Oakhurst, CA SP N Div Lawrence Livermore Natl Lab, Theoret Div Los Alamos Natl Lab DE statistical nuclear reactions; compound resonance; optical background; fluctuations; energy averaging ID NUCLEAR-REACTIONS AB Kawai, Kerman and McVoy (KKM) derived an optical background-plus-fluctuations representation of T-matrix, T = T-oPt + T-fluct, so that an energy average of T-fluct over a single-particle resonance width is expected to be negligibly small (Ann. of Phys. 75, 156 [1973]). We investigate this property numerically in a simple model with 1,600 compound nuclear levels and 40 channels, coupled via a random interaction. We find that the energy average of the fluctuating term is much smaller than the optical background, T-opt, in support of the KKM result. A self-contained derivation of KKM T-matrix is presented. C1 [Arbanas, G.] Oak Ridge Natl Lab, NSTD, POB 2008, Oak Ridge, TN 37831 USA. [Bertulani, C.] Texas A&M Univ, Dept Phys, Commerce, TX 75429 USA. [Dean, D. J.; Kerman, A. K.] Oak Ridge Natl Lab, Phys Div, Oak Ridge, TN USA. [Kerman, A. K.] MIT, Cambridge, MA 02139 USA. RP Arbanas, G (reprint author), Oak Ridge Natl Lab, NSTD, POB 2008, Oak Ridge, TN 37831 USA. OI Dean, David/0000-0002-5688-703X FU U.S.Department of Energy [DE-AC05-00OR22725] FX The authors would like to thank the Workshop organizers.Oak Ridge National Laboratory is managed by UT-Battelle for the U.S.Department of Energy under Contract No. DE-AC05-00OR22725. NR 7 TC 3 Z9 3 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 978-0-7354-0524-0 J9 AIP CONF PROC PY 2008 VL 1005 BP 160 EP + PG 2 WC Physics, Nuclear SC Physics GA BHR38 UT WOS:000255660900031 ER PT S AU Dashdorj, D Mitchell, GE Becker, JA Chadwick, MB Devlin, M Fotiades, N Kawano, T Nelson, RO Wu, CY Garrett, PE Kunieda, S Agvaanluvsan, U Younes, W AF Dashdorj, D. Mitchell, G. E. Becker, J. A. Chadwick, M. B. Devlin, M. Fotiades, N. Kawano, T. Nelson, R. O. Wu, C. Y. Garrett, P. E. Kunieda, S. U., Agvaanluvsan Younes, W. BA Escher, J BF Escher, J BE Dietrich, FS Kawano, T Thompson, IJ TI Effect of pre-equilibrium spin distribution on neutron-induced reaction cross sections SO COMPOUND-NUCLEAR REACTIONS AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Workshop on Compound-Nuclear Reactions and Related Topics CY OCT 22-26, 2007 CL Oakhurst, CA SP N Div Lawrence Livermore Natl Lab, Theoret Div Los Alamos Natl Lab DE cross section measurement; pre-equilibrium reaction; spin distribution; neutron-induced reactions AB Cross section measurements were made of prompt gamma-ray production as a function of neutron energy using the germanium array for neutron induced excitations (GEANIE) at LANSCE. Measuring the prompt reaction gamma rays as a function of incident neutron energy provides more precise understanding of the spins populated by the pre-equilibrium reaction. The effect of the spin distribution in pre-equilibrium reactions has been investigated using the GNASH reaction code. Widely used classical theories such as the exciton model usually assume that the spin distribution of the pre-equilibrium reaction is the same as the spin distribution of the compound nucleus reaction mechanism. In the present approach, the pre-equilibrium reaction spin distribution was calculated using the quantum mechanical theory of Feshbach, Kerman, and Koonin (FKK). This pre-equilibrium spin distribution was incorporated into the GNASH code and the gamma-ray production Cross sections were calculated and compared with experimental data. Spin distributions peak at lower spin when calculated with the FKK formulation than with the Compound Nuclear theory. The measured partial gamma-ray cross sections reflect this spin difference. Realistic treatment of the spin distribution improves the accuracy of calculations of gamma-ray production cross sections. C1 [Dashdorj, D.; Mitchell, G. E.] North Carolina State Univ, Raleigh, NC 27695 USA. [Dashdorj, D.; Becker, J. A.; U., Agvaanluvsan; Younes, W.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Chadwick, M. B.; Devlin, M.; Fotiades, N.; Kawano, T.; Nelson, R. O.] Los Alamos Natl Lab, Los Alamos, NM USA. [Garrett, P. E.] Univ Guelph, Guelph, ON N1G 2W1, Canada. [Kunieda, S.] Japan Atom Energy Agcy, Tokai, Ibaraki, Japan. RP Dashdorj, D (reprint author), North Carolina State Univ, Raleigh, NC 27695 USA. RI Devlin, Matthew/B-5089-2013; OI Devlin, Matthew/0000-0002-6948-2154; Fotiadis, Nikolaos/0000-0003-1410-3871 FU U.S.Department of Energy [DE-FG52-06NA26194, DE-FG02-97-ER41042]; U.S.Department of Energy by Livermore National Security; LLC; Lawrence Liver more National Laboratory [DE-AC52-06NA4464]; U.S.Department of Energy by LosAlamos National Security; LosAlamos National Laboratory [DE-AC52-06NA25396] FX This work was supported by in part by the U.S.Department of Energy Grants No.DE-FG52-06NA26194 and No.DE-FG02-97-ER41042, work performed in part under the auspices of the U.S.Department of Energy by Livermore National Security, LLC, Lawrence Liver more National Laboratory under contract No.DE-AC52-06NA4464, and work performed in part under auspices of the U.S.Department of Energy by LosAlamos National Security, LLC, LosAlamos National Laboratory under contract No.DE-AC52-06NA25396. NR 16 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 978-0-7354-0524-0 J9 AIP CONF PROC PY 2008 VL 1005 BP 164 EP + PG 2 WC Physics, Nuclear SC Physics GA BHR38 UT WOS:000255660900032 ER PT S AU Ullmann, JL AF Ullmann, John L. BA Escher, J BF Escher, J BE Dietrich, FS Kawano, T Thompson, IJ TI An overview of fission measurements at LANSCE SO COMPOUND-NUCLEAR REACTIONS AND RELATED TOPICS SE AIP CONFERENCE PROCEEDINGS LA English DT Proceedings Paper CT International Workshop on Compound-Nuclear Reactions and Related Topics CY OCT 22-26, 2007 CL Oakhurst, CA SP N Div Lawrence Livermore Natl Lab, Theoret Div Los Alamos Natl Lab DE nuclear fission; neutrons; LANSCE ID SLOWING-DOWN SPECTROMETER AB Fission measurements have a long history at Los Alamos. This paper reviews the current programs in neutron-induced fission at the Los Alamos Neutron Science Center. C1 Los Alamos Natl Lab, LANSCE NS, Los Alamos, NM 87545 USA. RP Ullmann, JL (reprint author), Los Alamos Natl Lab, LANSCE NS, POB 1663, Los Alamos, NM 87545 USA. NR 10 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 978-0-7354-0524-0 J9 AIP CONF PROC PY 2008 VL 1005 BP 177 EP 181 PG 5 WC Physics, Nuclear SC Physics GA BHR38 UT WOS:000255660900034 ER PT S AU Heffner, M AF Heffner, M. BA Escher, J BF Escher, J BE Dietrich, FS Kawano, T Thompson, IJ TI A time projection chamber for precision Pu-239(n,f) cross section measurement SO COMPOUND-NUCLEAR REACTIONS AND RELATED TOPICS SE AIP CONFERENCE PROCEEDINGS LA English DT Proceedings Paper CT International Workshop on Compound-Nuclear Reactions and Related Topics CY OCT 22-26, 2007 CL Oakhurst, CA SP N Div Lawrence Livermore Natl Lab, Theoret Div Los Alamos Natl Lab DE TPC fission cross section Pu AB High precision measurements of the Pu-239(n,f) cross section have been identified as important for the Global Nuclear Energy Partnership (GNEP) and other programs. Currently, the uncertainty on this cross section is of the order 2-3% for neutron energies below 14 MeV and the goal is to reduce this to less than 1%. The Time Projection Chamber (TPC) has been identified as a possible tool to make this high precision measurement. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Heffner, M (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94551 USA. NR 7 TC 5 Z9 5 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 978-0-7354-0524-0 J9 AIP CONF PROC PY 2008 VL 1005 BP 182 EP 185 PG 4 WC Physics, Nuclear SC Physics GA BHR38 UT WOS:000255660900035 ER PT S AU Phair, L Moretto, LG AF Phair, L. Moretto, L. G. BA Escher, J BF Escher, J BE Dietrich, FS Kawano, T Thompson, IJ TI The fission barrier landscape SO COMPOUND-NUCLEAR REACTIONS AND RELATED TOPICS SE AIP CONFERENCE PROCEEDINGS LA English DT Proceedings Paper CT International Workshop on Compound-Nuclear Reactions and Related Topics CY OCT 22-26, 2007 CL Oakhurst, CA SP N Div Lawrence Livermore Natl Lab, Theoret Div Los Alamos Natl Lab DE fission of light systems; fission barriers ID SCALING LAWS; NUCLEAR; FUSION; MODEL AB Fission excitation functions have been measured for a chain of neighboring compound nuclei from Po-207 to Po-212. We present a new analysis which provides a determination of the fission barriers and ground state shell effects with nearly spectroscopic accuracy. The accuracy achieved in this analysis may lead to a future detailed exploration of the saddle mass surface and its spectroscopy. C1 [Phair, L.; Moretto, L. G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. RP Phair, L (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Nucl Sci, Berkeley, CA 94720 USA. NR 11 TC 0 Z9 0 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 978-0-7354-0524-0 J9 AIP CONF PROC PY 2008 VL 1005 BP 186 EP 189 PG 4 WC Physics, Nuclear SC Physics GA BHR38 UT WOS:000255660900036 ER PT S AU Younes, W Gogny, D AF Younes, W. Gogny, D. BA Escher, J BF Escher, J BE Dietrich, FS Kawano, T Thompson, IJ TI Microscopic theory of fission SO COMPOUND-NUCLEAR REACTIONS AND RELATED TOPICS SE AIP CONFERENCE PROCEEDINGS LA English DT Proceedings Paper CT International Workshop on Compound-Nuclear Reactions and Related Topics CY OCT 22-26, 2007 CL Oakhurst, CA SP N Div Lawrence Livermore Natl Lab, Theoret Div Los Alamos Natl Lab DE fission; Hartree Fock Bogoliubov; Gogny interaction; fission fragments; plutonium AB In recent years, the microscopic method has been applied to the notoriously difficult problem of nuclear fission with unprecedented success. In this paper, we discuss some of the achievements and promise of the microscopic method, as embodied in the Hartree-Fock method using the Gogny finite-range effective interaction, and beyond-mean-field extensions to the theory. The nascent program to describe induced fission observables using this approach at the Lawrence Livermore National Laboratory is presented. C1 [Younes, W.; Gogny, D.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Younes, W (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. 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 978-0-7354-0524-0 J9 AIP CONF PROC PY 2008 VL 1005 BP 194 EP 197 PG 4 WC Physics, Nuclear SC Physics GA BHR38 UT WOS:000255660900038 ER PT S AU Talou, P Kawano, T Bonneau, L AF Talou, P. Kawano, T. Bonneau, L. BA Escher, J BF Escher, J BE Dietrich, FS Kawano, T Thompson, IJ TI Prompt fission neutrons as probes to nuclear configurations at scission SO COMPOUND-NUCLEAR REACTIONS AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Workshop on Compound-Nuclear Reactions and Related Topics CY OCT 22-26, 2007 CL Oakhurst, CA SP N Div Lawrence Livermore Natl Lab, Theoret Div Los Alamos Natl Lab DE neutron-induced fission; Uranium 235; prompt fission neutrons; scission; Monte Carlo simulations ID U-235 AB Prompt fission neutrons and gamma-rays emitted by excited primary fission fragments are indirect probes to the nuclear configurations present near the scission point. By studying detailed characteristics of these quantities, it is shown that one can discriminate between various assumptions regarding the sharing of the free energy at scission among the two fragments. The case of low-energy neutron-induced fission on U-235 is studied and interpreted in terms of fission modes. C1 [Talou, P.; Kawano, T.] Los Alamos Natl Lab, Div Theoret, Nucl Phys Grp, Los Alamos, NM 87545 USA. [Bonneau, L.] CEN Bordeaux Gradignan, F-33175 Gradignan, France. RP Talou, P (reprint author), Los Alamos Natl Lab, Div Theoret, Nucl Phys Grp, Los Alamos, NM 87545 USA. NR 9 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 978-0-7354-0524-0 J9 AIP CONF PROC PY 2008 VL 1005 BP 198 EP + PG 2 WC Physics, Nuclear SC Physics GA BHR38 UT WOS:000255660900039 ER PT S AU Vogt, R Randrup, J AF Vogt, Ramona Randrup, Jorgen BA Escher, J BF Escher, J BE Dietrich, FS Kawano, T Thompson, IJ TI Event-by-event simulation of induced fission SO COMPOUND-NUCLEAR REACTIONS AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Workshop on Compound-Nuclear Reactions and Related Topics CY OCT 22-26, 2007 CL Oakhurst, CA SP N Div Lawrence Livermore Natl Lab, Theoret Div Los Alamos Natl Lab DE fission simulation AB We are developing a novel code that treats induced fission by statistical (or Monte-Carlo) simulation of individual decay chains. After its initial excitation, the fissionable compound nucleus may either de-excite by evaporation or undergo binary fission into a large number of fission channels each with different energetics involving both energy dissipation and deformed scission pre-fragments. After separation and Coulomb acceleration, each fission fragment undergoes a succession of individual (neutron) evaporations, leading to two bound but still excited fission products (that may further decay electromagnetically and, ultimately, weakly), as well as typically several neutrons. (The inclusion of other possible ejectiles is planned.) This kind of approach makes it possible to study more detailed observables than could be addressed with previous treatments which have tended to focus on average quantities. In particular, any type of correlation observable can readily be extracted from a generated set of events. With a view towards making the code practically useful in a variety of applications, emphasis is being put on making it numerically efficient so that large event samples can be generated quickly. In its present form, the code can generate one million full events in about 12 seconds on a MacBook laptop computer. The development of this qualitatively new tool is still at an early stage and quantitative reproduction of existing data should not be expected until a number of detailed refinement have been implemented. C1 [Vogt, Ramona] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Vogt, Ramona] Univ Calif Davis, Dept Phys, Davis, CA USA. [Randrup, Jorgen] Lawrence Berkeley Natl Lab, Berkeley, CA USA. RP Vogt, R (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. FU U.S.Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; National Science Foundation [NSF PHY-0555660]; US Department of Energy [DE-AC02-05CH1I231] FX We thank D.A.Brown,T Kawano, P.Moller, B.Norman, J.Swiatecki, P.Talou and W Younes for discussions. The work of RV was performed under the auspices of the U.S.Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and was also supported in part by the National Science Foundation Grant NSF PHY-0555660. The work of JR was supported in part by the US Department of Energy, Contract Numbers DE-AC02-05CH1I231. NR 3 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 978-0-7354-0524-0 J9 AIP CONF PROC PY 2008 VL 1005 BP 202 EP + PG 2 WC Physics, Nuclear SC Physics GA BHR38 UT WOS:000255660900040 ER PT S AU Stoyer, MA AF Stoyer, Mark A. BA Escher, J BF Escher, J BE Dietrich, FS Kawano, T Thompson, IJ TI Nuclear reactions used for superheavy element research SO COMPOUND-NUCLEAR REACTIONS AND RELATED TOPICS SE AIP CONFERENCE PROCEEDINGS LA English DT Proceedings Paper CT International Workshop on Compound-Nuclear Reactions and Related Topics CY OCT 22-26, 2007 CL Oakhurst, CA SP N Div Lawrence Livermore Natl Lab, Theoret Div Los Alamos Natl Lab DE superheavy elements; nuclear reactions ID HEAVIEST NUCLEI; ISOMERS AB Some of the most fascinating questions about the limits of nuclear stability are confronted in the heaviest nuclei. How many more new elements can be synthesized? What are the nuclear and chemical properties of these exotic nuclei? Does the "Island of Stability" exist and can we ever explore the isotopes inhabiting that nuclear region? This paper will focus on the current experimental research on the synthesis and characterization of superheavy nuclei with Z>112 from the Dubna/Livermore collaboration. Reactions using Ca-48 projectiles from the U400 cyclotron and actinide targets (U-233,U-238, Np-237, Pu-242,Pu-244, (243)AM, Cm-245,Cm-248, Cf-249) have been investigated using the Dubna Gas Filled Recoil Separator in Dubna over the last 8 years. In addition, several experiments have been performed to investigate the chemical properties of some of the observed longer-lived isotopes produced in these reactions. Some comments will be made on nuclear reactions used for the production of the heaviest elements. A summary of the current status of the upper end of the chart of nuclides will be presented. C1 Lawrence Livermore Natl Lab, Phys Sci Directorate, N Div, Livermore, CA 94550 USA. RP Stoyer, MA (reprint author), Lawrence Livermore Natl Lab, Phys Sci Directorate, N Div, Livermore, CA 94550 USA. NR 13 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 978-0-7354-0524-0 J9 AIP CONF PROC PY 2008 VL 1005 BP 209 EP 214 PG 6 WC Physics, Nuclear SC Physics GA BHR38 UT WOS:000255660900041 ER PT S AU Gupta, SS Heger, A Moller, P Kawano, T AF Gupta, Sanjib S. Heger, A. Moeller, P. Kawano, T. BA Escher, J BF Escher, J BE Dietrich, FS Kawano, T Thompson, IJ TI Electron Capture-delayed neutron-emissions in neutron star crust simulations using a Hauser-Feshbach model SO COMPOUND-NUCLEAR REACTIONS AND RELATED TOPICS SE AIP CONFERENCE PROCEEDINGS LA English DT Proceedings Paper CT International Workshop on Compound-Nuclear Reactions and Related Topics CY OCT 22-26, 2007 CL Oakhurst, CA SP N Div Lawrence Livermore Natl Lab, Theoret Div Los Alamos Natl Lab DE nucleosynthesis; neutron stars; nuclear reactions; deep crustal heating; superbursts; X-ray binaries; X-ray bursts ID X-RAY-BURSTS; OCEAN AB Recently, Electron Captures (henceforth EC) into excited states of neutron-rich nuclei were shown by the LANL-Michigan State-Mainz collaboration to result in Neutron Star (henceforth NS) Crust heating which was 4 - 5 times that of previous calculations. That result also highlighted the importance of a spread in X-ray burst abundances over several mass chains which could contribute to substantial heating through large shell and sub-shell gaps showing up in the excitation energy spectrum of the EC daughter. Such effects did not dominate when a single beta-stable species was evolved in an accreted parcel of matter in earlier calculations. We are now exploring the nucleosynthesis and heating from neutron processes deeper in the NS Crust around 10(11) g cm(-3). Electron captures into excited states of neutron-rich nuclei above neutron separation energies requires a Hauser-Feshbach code to calculate the branchings between 1-, 2-,3 -,...neutron emission rates in the stellar environment. Since the evolving composition has a free neutron fraction at a very density, the equilibrium composition at a given depth requires readjustments with respect to both the electron chemical potential and the neutron chemical potential, and the emitted neutrons can be captured into other mass chains with a net release of heat. From a nucleosynthesis perspective, we have a very interesting and hitherto unexplored pattern of weak interactions and neutron processes similar to the r-process, with the exception that the weak processes are primarily density-driven in the rather cold crust (T-9 = 0.4 - 0.6) and in the beta(+) direction, that is, toward increasing neutron richness. C1 [Gupta, Sanjib S.; Heger, A.; Moeller, P.; Kawano, T.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Gupta, SS (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. OI Moller, Peter/0000-0002-5848-3565 NR 10 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 978-0-7354-0524-0 J9 AIP CONF PROC PY 2008 VL 1005 BP 221 EP 224 PG 4 WC Physics, Nuclear SC Physics GA BHR38 UT WOS:000255660900043 ER PT S AU Hoffman, RD Fisker, JL Pruet, J Woosley, SE Janka, HT Buras, R AF Hoffman, R. D. Fisker, J. L. Pruet, J. Woosley, S. E. Janka, H. -T. Buras, R. BA Escher, J BF Escher, J BE Dietrich, FS Kawano, T Thompson, IJ TI Nucleosynthesis in early neutrino driven winds SO COMPOUND-NUCLEAR REACTIONS AND RELATED TOPICS SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Workshop on Compound-Nuclear Reactions and Related Topics CY OCT 22-26, 2007 CL Oakhurst, CA SP N Div Lawrence Livermore Natl Lab, Theoret Div Los Alamos Natl Lab DE supernovae; nucleosynthesis ID SUPERNOVA; NUCLEI AB Two recent issues realted to nucleosynthesis in early proton-rich neutrino winds are investigated. In the first part we investigate the effect of nuclear physics uncertainties on the synthesis of Mo-92 and Mo-94. Based on recent experimental results, we find that the proton rich winds of the model investigated here can not be the only source of the solar abundance of Mo-92 and (MO)-M-94. In the second part we investigate the nucleosynthesis from neutron rich bubbles and show that they do not contribute to the nucleosynthesis integrated over both neutron and proton-rich bubbles and proton-rich winds. C1 [Hoffman, R. D.; Fisker, J. L.] Lawrence Livermore Natl Lab, POB 808,L-414, Livermore, CA 94550 USA. [Woosley, S. E.] Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. [Janka, H. -T.; Buras, R.] Max Planck Inst Astrophys, D-85748 Garching, Germany. RP Hoffman, RD (reprint author), Lawrence Livermore Natl Lab, POB 808,L-414, Livermore, CA 94550 USA. RI Buras-Schnell, Robert/B-3170-2011 OI Buras-Schnell, Robert/0000-0002-4217-4522 FU U.S.Department of Energy by Lawrence Livermore National Laboratory [W-7405-Eng-48]; SciDAC Program of the US Department of Energy [DC-FC02-01ER41176]; Deutsche Forschungs-gemeinschaft through the Transregional Collaborative Research Centers [SFB/TR 27]; national supercomputer NEC SX-8 at the High in Performance Computing Center Stuttgart(HLRS) [N/12758]; [DE-AC52-07NA27344]; [SFB/TR 7] FX This work was performed under the auspices of the U.S.Department of Energy by Lawrence Livermore National Laboratory in part under Contract W-7405-Eng-48 and in part under Contract DE-AC52-07NA27344. It was also supported, in part, by the SciDAC Program of the US Department of Energy (DC-FC02-01ER41176). The project in Garching was supported by the Deutsche Forschungs-gemeinschaft through the Transregional Collaborative Research Centers SFB/TR 27 "Neutrinos and Beyond" and SFB/TR 7 "Gravitational Wave Astronomy",and the Cluster of Excellence EXC 153 "Origin and Structure of the Universe". The SN simulations were performed on the national supercomputer NEC SX-8 at the High in Performance Computing Center Stuttgart(HLRS) under grant number SuperN/12758. NR 15 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 978-0-7354-0524-0 J9 AIP CONF PROC PY 2008 VL 1005 BP 225 EP + PG 2 WC Physics, Nuclear SC Physics GA BHR38 UT WOS:000255660900044 ER PT S AU Boyd, RN AF Boyd, Richard N. BA Escher, J BF Escher, J BE Dietrich, FS Kawano, T Thompson, IJ TI Use of NIF in nuclear astrophysics: Examples of experiments SO COMPOUND-NUCLEAR REACTIONS AND RELATED TOPICS SE AIP CONFERENCE PROCEEDINGS LA English DT Proceedings Paper CT International Workshop on Compound-Nuclear Reactions and Related Topics CY OCT 22-26, 2007 CL Oakhurst, CA SP N Div Lawrence Livermore Natl Lab, Theoret Div Los Alamos Natl Lab DE nuclear reactions; nuclear astrophysics AB The National Ignition Facility, the world's largest laser, is scheduled for completion in 2009, and will beginning performing experiments in basic science about the same time. NIF is expected to produce temperatures and densities well above those at the core of the Sun, so it appears to have the capability to study thermally averaged cross sections involving a variety of light nuclei, many of which are of interest to nuclear astrophysics. Most of these reactions are affected, in some instances dominated, by compound nuclear states. This paper first describes some of the basic parameters of NIF, then discusses several experiments in nuclear astrophysics, some of which might be performed at NIF, and some of which could not be performed at any other facility in existence. C1 Lawrence Livermore Natl Lab, Natl Ignit Facil, Livermore, CA 94550 USA. RP Boyd, RN (reprint author), Lawrence Livermore Natl Lab, Natl Ignit Facil, 7000 East Ave, Livermore, CA 94550 USA. 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 978-0-7354-0524-0 J9 AIP CONF PROC PY 2008 VL 1005 BP 229 EP 232 PG 4 WC Physics, Nuclear SC Physics GA BHR38 UT WOS:000255660900045 ER PT S AU Lin, SD Verspoor, K AF Lin, Shou-De Verspoor, Karin BE Gelbukh, A TI A semantics-enhanced language model for unsupervised word sense disambiguation SO COMPUTATIONAL LINGUISTICS AND INTELLIGENT TEXT PROCESSING SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 9th International Conference on Intelligent Text Processing and Computational Linguistics CY FEB 17-23, 2008 CL Univ Haifa, Haifa, ISRAEL SP Computat Linguist Grp, Univ Haifa, Caesarea Edmond Benjamin de Rothschild Fdn Inst Interdisciplinary Applicat Comp Sci HO Univ Haifa AB An N-gram language model aims at capturing statistical word order dependency information from corpora. Although the concept of language models has been applied extensively to handle a variety of NLP problems with reasonable success, the standard model does not incorporate semantic information, and consequently limits its applicability to semantic problems such as word sense disambiguation. We propose a framework that integrates semantic information into the language model schema, allowing a system to exploit both syntactic and semantic information to address NLP problems. Furthermore, acknowledging the limited availability of semantically annotated data, we discuss how the proposed model can be learned without annotated training examples. Finally, we report on a case study showing how the semantics-enhanced language model can be applied to unsupervised word sense disambiguation with promising results. C1 [Lin, Shou-De] Natl Taiwan Univ, Taipei, Taiwan. [Verspoor, Karin] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Lin, SD (reprint author), Natl Taiwan Univ, Taipei, Taiwan. EM sdlin@csie.ntu.edu.tw; verspoor@lanl.gov OI LIN, SHOU-DE/0000-0001-9970-1250; Verspoor, Karin/0000-0002-8661-1544 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 978-3-540-78134-9 J9 LECT NOTES COMPUT SC PY 2008 VL 4919 BP 287 EP + PG 3 WC Computer Science, Artificial Intelligence; Computer Science, Theory & Methods SC Computer Science GA BHJ77 UT WOS:000253658200024 ER PT S AU Nieplocha, J Krishamoorthy, S Valiev, M Krishnan, M Palmer, B Sadayappan, P AF Nieplocha, Jarek Krishamoorthy, Sriram Valiev, Marat Krishnan, Manoj Palmer, Bruce Sadayappan, P. BE Bubak, M VanAlbada, GD Dongarra, J Sloot, PMA TI Integrated data and task management for scientific applications SO COMPUTATIONAL SCIENCE - ICCS 2008, PT 1 SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 8th International Conference on Computational Science CY JUN 23-25, 2008 CL Cracow, POLAND SP Hewlett Packard Co, Intel Corp, Qumak Sekom AM & IBM, Microsoft Corp, ATM SA, Elsevier, Springer DE Global Array programming; computational kernels; MPI; task management; data management AB Several emerging application areas require intelligent management of distributed data and tasks that encapsulate execution units for collection of processors or processor groups. This paper describes an integration of data and task parallelism to address the needs of such applications in context of the Global Array (GA) programming model. GA provides programming interfaces for managing shared arrays based on non-partitioned global address space programming model concepts. Compatibility with MPI enables the scientific programmer to benefit from performance and productivity advantages of these high level programming abstractions using standard programming languages and compilers. C1 [Nieplocha, Jarek; Krishamoorthy, Sriram; Valiev, Marat; Krishnan, Manoj; Palmer, Bruce] Pacific NW Natl Lab, Richland, WA 99352 USA. [Sadayappan, P.] Ohio State Univ, Columbus, OH 43210 USA. RP Nieplocha, J (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM jarek.nieplocha@pnl.gov; sriram@pnl.gov; marat.valiev@pnl.gov; manoj@pnl.gov; bruce.palmer@pnl.gov; saday@cse.ohio-state.edu 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 978-3-540-69383-3 J9 LECT NOTES COMPUT SC PY 2008 VL 5101 BP 20 EP + PG 3 WC Computer Science, Theory & Methods; Mathematics SC Computer Science; Mathematics GA BHX33 UT WOS:000257188800003 ER PT S AU Childs, H AF Childs, Hank BE Bubak, M VanAlbada, GD Dongarra, J Sloot, PMA TI Why petascale visualization and analysis will change the rules SO COMPUTATIONAL SCIENCE - ICCS 2008, PT 1 SE LECTURE NOTES IN COMPUTER SCIENCE LA English DT Proceedings Paper CT 8th International Conference on Computational Science CY JUN 23-25, 2008 CL Cracow, POLAND SP Hewlett Packard Co, Intel Corp, Qumak Sekom AM & IBM, Microsoft Corp, ATM SA, Elsevier, Springer AB In the last decade, supercomputers and the scientific simulations performed on them have dramatically increased in size. Currently, simulations can use hundreds of TeraFLOPs (trillions of floating point operations per second) and generate many, many terabytes of data. In the near future, we will see PetaFLOP computing and petabytes of data. In addition, a critical step in the simulation process is "postprocessing": applying visualization and analysis techniques to better understand the simulation. As a result, the issues of visualizing and analyzing massive data sets have never been more important. This puts the spotlight on two key issues. One, are we prepared for the unprecedented scale of data that we will need to postprocess? And, two, assuming that we can handle data of this size, can we intelligently analyze these simulations? I will argue that, for both of these questions, we must "change the rules" and make dramatic departures from our current modus operandi. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Childs, H (reprint author), Lawrence Livermore Natl Lab, POB 808,L-557, Livermore, CA 94551 USA. 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 0302-9743 BN 978-3-540-69383-3 J9 LECT NOTES COMPUT SC PY 2008 VL 5101 BP 32 EP 32 PG 1 WC Computer Science, Theory & Methods; Mathematics SC Computer Science; Mathematics GA BHX33 UT WOS:000257188800004 ER PT S AU Sosonkina, M Sharda, A Negoita, A Vary, JP AF Sosonkina, Masha Sharda, Anurag Negoita, Alina Vary, James P. BE Bubak, M VanAlbada, GD Dongarra, J Sloot, PMA TI Integration of ab initio nuclear physics calculations with optimization techniques SO COMPUTATIONAL SCIENCE - ICCS 2008, PT 1 SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 8th International Conference on Computational Science CY JUN 23-25, 2008 CL Cracow, POLAND SP Hewlett Packard Co, Intel Corp, Qumak Sekom AM & IBM, Microsoft Corp, ATM SA, Elsevier, Springer DE No Core Shell Model; MFDn; derivative-free optimization; VTDIRECT95 AB Optimization techniques are finding their inroads into the field of nuclear physics calculations where the objective functions are very complex and computationally intensive. A vast space of parameters needs searching to obtain a good match between theoretical (computed) and experimental observables, such as energy levels and spectra. In this paper, we propose a design integrating the ab initio nuclear physics code MFDn and the VTDIRECT95 code for derivative-free optimization. We experiment with the initial implementation of the design showing good matches for several single-nucleus cases. For the parallel MFDn code, we determine appropriate processor numbers to execute efficiently a multiple-nuclei parameter search. C1 [Sosonkina, Masha; Sharda, Anurag] Iowa State Univ Sci & Technol, Ames Lab, DOE, Ames, IA 50011 USA. [Negoita, Alina; Vary, James P.] Iowa State Univ Sci & Technol, Dept Phys, Ames, IA 50011 USA. RP Sosonkina, M (reprint author), Iowa State Univ Sci & Technol, Ames Lab, DOE, Ames, IA 50011 USA. EM masha@scl.ameslab.gov; anurag@scl.ameslab.gov; alina@iastate.edu; jvary@iastate.edu RI Dongarra, Jack/E-3987-2014 FU Iowa State University [DE-AC02-07CH11358]; U.S. Department of Energy [DE-FC02-7ER41457, DE-FG02-87ER40371]; NERSC FX The work was supported in part by Iowa State University under the contract DE-AC02-07CH11358 with the U.S. Department of Energy, by the U.S. Department of Energy under the grants DE-FC02-7ER41457 (UNEDF SciDAC-2) and DE-FG02-87ER40371 (Division of Nuclear Physics), and by NERSC. NR 12 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 978-3-540-69383-3 J9 LECT NOTES COMPUT SC PY 2008 VL 5101 BP 833 EP + PG 3 WC Computer Science, Theory & Methods; Mathematics SC Computer Science; Mathematics GA BHX33 UT WOS:000257188800085 ER PT S AU Bhowmick, S Hovland, PD AF Bhowmick, Sanjukta Hovland, Paul D. BE Bubak, M VanAlbada, GD Dongarra, J Sloot, PMA TI Improving the performance of graph coloring algorithms through backtracking SO COMPUTATIONAL SCIENCE - ICCS 2008, PT 1 SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 8th International Conference on Computational Science CY JUN 23-25, 2008 CL Cracow, POLAND SP Hewlett Packard Co, Intel Corp, Qumak Sekom AM & IBM, Microsoft Corp, ATM SA, Elsevier, Springer DE graph coloring; backtracking AB Graph coloring is used to identify independent objects in a set and has applications in a wide variety of scientific and engineering problems. Optimal coloring of graphs is an NP-complete problem. Therefore there exist many heuristics that attempt to obtain a near-optimal number of colors. In this paper we introduce a backtracking correction algorithm which dynamically rearranges the colors assigned by a top level heuristic to a more favorable permutation thereby improving the performance of the coloring algorithm. Our results obtained by applying the backtracking heuristic on graphs from molecular dynamics and DNA-electrophoresis show that the backtracking algorithm succeeds in lowering the number of colors by as much as 23%. Variations of backtracking algorithm can be as much as 66% faster than standard correction algorithms, like Culberson's Iterated Greedy method, while producing a comparable number of colors. C1 [Bhowmick, Sanjukta] Penn State Univ, Dept Comp Sci & Engn, University Pk, PA 16802 USA. [Hovland, Paul D.] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Bhowmick, S (reprint author), Penn State Univ, Dept Comp Sci & Engn, University Pk, PA 16802 USA. EM bhowmick@cse.psu.edu; hovland@mcs.anl.gov FU Office of Computational Technology Research; U.S. Department of Energy [W-31-109-Eng-38] FX This work was supported by the Mathematical, Information, and Computational Sciences Division subprogram of the Office of Computational Technology Research, U.S. Department of Energy under Contract W-31-109-Eng-38.The idea for the backtracking algorithm was inspired by reading the excellent review on graph coloring algorithms by Assefaw Gebremedhin, Fredrik Manne and Alex Pothen [7]. We are also grateful to Assefaw Gebremedhin and Rahmi Aksu for letting us use their graph coloring software. Our implementation of the backtracking algorithm was built on top of this software. We would also like to thank Sven Leyffer for his assistance in using integer programming to find optimal colorings for several small matrices. We thank Gail Pieper for proofreading a draft of this paper. NR 10 TC 3 Z9 3 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-540-69383-3 J9 LECT NOTES COMPUT SC PY 2008 VL 5101 BP 873 EP + PG 2 WC Computer Science, Theory & Methods; Mathematics SC Computer Science; Mathematics GA BHX33 UT WOS:000257188800089 ER PT S AU Mishra, SK Muralidharan, K Deymier, P Frantziskonis, G Simunovic, S Pannala, S AF Mishra, Sudib K. Muralidharan, Krishna Deymier, Pierre Frantziskonis, George Simunovic, Srdjan Pannala, Sreekanth BE Bubak, M VanAlbada, GD Dongarra, J Sloot, PMA TI Wavelet based spatial scaling of coupled reaction diffusion fields SO COMPUTATIONAL SCIENCE - ICCS 2008, PT 2 SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 8th International Conference on Computational Science CY JUN 23-25, 2008 CL Cracow, POLAND SP Hewlett Packard Co, Intel Corp, Qumak Sekom AM & IBM, Microsoft Corp, ATM SA, Elsevier, Springer DE multiscale; wavelets; up-scaling; down-scaling; reaction; diffusion AB Multiscale schemes for transferring information from fine to coarse scales are typically based on some sort of averaging. Such schemes smooth the fine scale features of the underlying fields, thus altering the fine scale correlations. As a superior alternative to averaging, a wavelet based scheme for the exchange of information between a reactive and diffusive field in the context of multiscale reaction-diffusion problems is proposed and analyzed. The scheme is shown to be efficient in passing information along scales, from fine to coarse, i.e. up-scaling as well as from coarse to fine, i.e. down-scaling. In addition, it retains fine scale statistics, mainly due to the capability of wavelets to represent fields hierarchically. Critical to the success of the scheme is the identification of dominant scales containing the majority of useful information. The scheme is applied in detail to the analysis of a diffusive system with chemically reacting boundary. Reactions are simulated using kinetic Monte Carlo (KMC) and diffusion is solved by finite differences. Spatial scale differences are present at the interface of the KMC sites and the diffusion grid. The computational efficiency of the scheme is compared to results obtained by local averaging, and to results from a benchmark model. The spatial scaling scheme ties to wavelet based schemes for temporal scaling, presented elsewhere by the authors. C1 [Mishra, Sudib K.; Frantziskonis, George] Univ Arizona, Dept Civil Engn & Engn Mech, POB 210072, Tucson, AZ 85721 USA. [Muralidharan, Krishna; Deymier, Pierre] Univ Arizona, Dept Mat Sci & Engn, Tucson, AZ 85721 USA. [Frantziskonis, George] Univ Arizona, Dept Mat Sci & Engn, Dept Civil Engn & Engn Mech, Tucson, AZ 85721 USA. [Simunovic, Srdjan; Pannala, Sreekanth] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN USA. RP Mishra, SK (reprint author), Univ Arizona, Dept Civil Engn & Engn Mech, POB 210072, Tucson, AZ 85721 USA. EM sudib@email.arizona.edu; krishna@email.arizona.edu; deymier@email.arizona.edu; frantzis@email.arizona.edu; simunovics@ornl.gov; pannalas@ornl.gov RI Pannala, Sreekanth/F-9507-2010 FU Mathematical, Information, and Computational Sciences Division; LLC [De-AC05-00OR22725] FX This research is sponsored by the Mathematical, Information, and Computational Sciences Division; Office of Advanced Scientific Computing Research; U.S.Department of Energy with Dr. Anil Deane as the program manager. The work was partly performed at the Oak Ridge National Laboratory, which is managed by UT-Battelle, LLC under Contract No. De-AC05-00OR22725. Discussions with M. Syamlal, T. J. O'Brien, and D. Alfonso of the National Energy Technology Laboratory (NETL), C.S Daw and P. Nukala of Oak Ridge National Laboratory, Rodney Fox and Z. Gao of Iowa State University have been very useful. NR 10 TC 0 Z9 0 U1 0 U2 3 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-540-69386-4 J9 LECT NOTES COMPUT SC PY 2008 VL 5102 BP 301 EP + PG 2 WC Business; Computer Science, Theory & Methods; Education & Educational Research; Education, Scientific Disciplines; Mathematics, Applied; Social Sciences, Mathematical Methods SC Business & Economics; Computer Science; Education & Educational Research; Mathematics; Mathematical Methods In Social Sciences GA BHV99 UT WOS:000256933800033 ER PT S AU Preissl, R Schulz, M Kranzlmuller, D de Supinski, BR Quinlan, DJ AF Preissl, Robert Schulz, Martin Kranzlmueller, Dieter de Supinski, Bronis R. Quinlan, Daniel J. BE Bubak, M Dongarra, J VanAlbada, GD Sloot, PMA TI Using MPI communication patterns to guide source code transformations SO COMPUTATIONAL SCIENCE - ICCS 2008, PT 3 SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 8th International Conference on Computational Science CY JUN 23-25, 2008 CL Cracow, POLAND SP Hewlett Packard Co, Intel Corp, Qumak Sekom AM & IBM, Microsoft Corp, ATM SA, Elsevier, Springer AB Optimizing the performance of HPC software requires a high-level understanding of communication patterns as well as their relation to source code structures. We describe an algorithm to detect communication patterns in parallel traces and show how these patterns can guide static code analysis. First, we detect patterns that identify potential bottlenecks in MPI communication traces. Next, we associate the patterns with the corresponding nodes in an abstract syntaxtree using the ROSE compiler framework. Finally we perform static analysis on the annotated control flow and system dependence graphs to guide transformations such as code motion or the automatic introduction of MPI collectives. C1 [Preissl, Robert; Schulz, Martin; de Supinski, Bronis R.; Quinlan, Daniel J.] Lawrence Livermore Natl Lab, CASC, Lawrence, KS USA. [Preissl, Robert; Kranzlmueller, Dieter] Univ Linz, GUP, Linz, Austria. RP Preissl, R (reprint author), Lawrence Livermore Natl Lab, CASC, Lawrence, KS USA. EM preissl2@llnl.gov; schul.zm@llnl.gov; dk@gup.jku.at; bronis@llnl.gov; dquinlan@llnl.gov FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344, LLNL-CONF-400356] FX Part of this work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. (LLNL-CONF-400356). NR 12 TC 6 Z9 6 U1 0 U2 2 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-540-69388-8 J9 LECT NOTES COMPUT SC PY 2008 VL 5103 BP 253 EP + PG 3 WC Computer Science, Software Engineering; Computer Science, Theory & Methods; Mathematical & Computational Biology; Mathematics, Applied SC Computer Science; Mathematical & Computational Biology; Mathematics GA BHW68 UT WOS:000257065900029 ER PT S AU Vilkomir, SA Swain, WT Poore, JH Clarno, KT AF Vilkomir, Sergiy A. Swain, W. Thomas Poore, Jesse H. Clarno, Kevin T. BE Bubak, M Dongarra, J VanAlbada, GD Sloot, PMA TI Modeling input space for testing scientific computational software: A case study SO COMPUTATIONAL SCIENCE - ICCS 2008, PT 3 SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 8th International Conference on Computational Science CY JUN 23-25, 2008 CL Cracow, POLAND SP Hewlett Packard Co, Intel Corp, Qumak Sekom AM & IBM, Microsoft Corp, ATM SA, Elsevier, Springer ID DESIGN AB An application of a method of test case generation for scientific computational software is presented. NEWTRNX, neutron transport software being developed at Oak Ridge National Laboratory, is treated as a case study. A model of dependencies between input parameters of NEWTRNX is created. Results of NEWTRNX model analysis and test case generation are evaluated. C1 [Vilkomir, Sergiy A.; Swain, W. Thomas; Poore, Jesse H.] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA. [Clarno, Kevin T.] Oak Ridge Natl Lab, Nucl Sci & Technol Div, Reactor Anal Grp, Oak Ridge, TN 37923 USA. RP Vilkomir, SA (reprint author), Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA. EM vilkomir@eecs.utk.edu; swain@eecs.utk.edu; poore@eecs.utk.edu; clarnokt@ornl.gov OI Clarno, Kevin/0000-0002-5999-2978 FU University of Tennessee Computational Science Initiative in collaboration with the Computing and Computational Sciences Directorate of Oak Ridge National Laboratory; Laboratory Directed Research and Development Program of Oak Ridge National Laboratory (ORNL); U. S. Department of Energy [DE-AC05-00OR22725.] FX This research is supported by the University of Tennessee Computational Science Initiative in collaboration with the Computing and Computational Sciences Directorate of Oak Ridge National Laboratory. Research sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory (ORNL), managed by UT-Battelle, LLC for the U. S. Department of Energy under Contract No. DE-AC05-00OR22725. NR 14 TC 3 Z9 3 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-540-69388-8 J9 LECT NOTES COMPUT SC PY 2008 VL 5103 BP 291 EP + PG 3 WC Computer Science, Software Engineering; Computer Science, Theory & Methods; Mathematical & Computational Biology; Mathematics, Applied SC Computer Science; Mathematical & Computational Biology; Mathematics GA BHW68 UT WOS:000257065900034 ER PT J AU Langston, MA Perkins, AD Saxton, AM Scharff, JA Voy, BH AF Langston, Michael A. Perkins, Andy D. Saxton, Arnold M. Scharff, Jon A. Voy, Brynn H. TI Innovative computational methods for transcriptomic data analysis: A case study in the use of FPT for practical algorithm design and implementation SO COMPUTER JOURNAL LA English DT Article; Proceedings Paper CT Model Transformation Track held at the 21st Annual ACM Symposium on Applied Computing CY APR 23, 2006-APR 27, 5006 CL Dijon, FRANCE SP ACM DE transcriptomic data analysis; fixed-parameter tractability; graph algorithms ID PROTEIN-PROTEIN INTERACTIONS; EXPRESSION DATA-ANALYSIS; GENE-EXPRESSION; MICROARRAY DATA; SACCHAROMYCES-CEREVISIAE; COEXPRESSION NETWORKS; CLUSTER-ANALYSIS; ORGANIZATION; RADIATION; PATHWAYS AB Tools of molecular biology and the evolving tools of genomics can now be exploited to study the genetic regulatory mechanisms that control cellular responses to a wide variety of stimuli. These responses are highly complex, and involve many genes and gene products. The main objectives of this paper are to describe a novel research program centered on understanding these responses by ( i) developing powerful graph algorithms that exploit the innovative principles of fixed parameter tractability in order to generate distilled gene sets; ( ii) producing scalable, high performance parallel and distributed implementations of these algorithms utilizing cutting-edge computing platforms and auxiliary resources; ( iii) employing these implementations to identify gene sets suggestive of co-regulation; and ( iv) performing sequence analysis and genomic data mining to examine, winnow and highlight the most promising gene sets for more detailed investigation. As a case study, we describe our work aimed at elucidating genetic regulatory mechanisms that control cellular responses to low-dose ionizing radiation ( IR). A low-dose exposure, as defined here, is an exposure of at most 10 cGy ( rads). While the consequences of high doses of radiation are well known, the net outcome of low-dose exposures continues to be debated, with support in the literature for both detrimental and beneficial effects. We use genome-scale gene expression data collected in response to low-dose IR exposure in vivo to identify the pathways that are activated or repressed as a tissue responds to the radiation insult. The driving motivation is that knowledge of these pathways will help clarify and interpret physiological responses to IR, which will advance our understanding of the health consequences of low-dose radiation exposures. C1 [Langston, Michael A.; Perkins, Andy D.; Scharff, Jon A.] Univ Tennessee, Dept Comp Sci, Knoxville, TN 37996 USA. [Saxton, Arnold M.] Univ Tennessee, Dept Anim Sci, Knoxville, TN 37996 USA. [Voy, Brynn H.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Langston, MA (reprint author), Univ Tennessee, Dept Comp Sci, Knoxville, TN 37996 USA. EM langston@cs.utk.edu RI Langston, Michael/A-9484-2011 NR 66 TC 9 Z9 9 U1 0 U2 3 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0010-4620 J9 COMPUT J JI Comput. J. PD JAN PY 2008 VL 51 IS 1 BP 26 EP 38 DI 10.1093/comjnl/bxm003 PG 13 WC Computer Science, Hardware & Architecture; Computer Science, Information Systems; Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA 250MV UT WOS:000252305200003 ER PT J AU Mourad, HM Williams, TO Addessio, FL AF Mourad, Hashem M. Williams, Todd O. Addessio, Francis L. TI Finite element analysis of inelastic laminated plates using a global-local formulation with delamination SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article DE Multi-layered composite plates; Global-local modeling; Hybrid finite element methods ID COMPOSITE PLATES; SHEAR DEFORMATION; LAGRANGIAN-MULTIPLIERS; SANDWICH PLATES; ORDER THEORY; INTERFACES; CONSTRAINTS; FRAMEWORK; STRESSES; CONTACT AB This work represents the initial step toward the development of an efficient computational framework that can be used to study the response and/or failure of laminated composite plates under a variety of loading conditions, including complex, severe, static and dynamic loads. The proposed finite element formulation is based on the global-local laminated plate theory of Williams [T.O. Williams, A generalized multilength scale non-linear composite plate theory with delamination, Int. J. Solids Struct. 36 (20) (1999) 3015-3050], which is founded on a generalized superposition of displacement fields associated with different length scales: the global field, which spans the thickness of the plate, and a set of local fields consistent with the layering thickness. This global-local strategy allows the local (layerwise) fields to be activated only in regions of critical interest within the computational domain, to obtain accurate results in those regions without compromising overall computational efficiency. In the present work, attention is restricted to the geometrically linear case; however, the formulation allows treatment of problems involving non-linear constitutive behavior, and facilitates the incorporation of delamination kinematics. Several numerical examples are presented to examine the performance characteristics of the proposed global-local plate element. (c) 2008 Elsevier B.V. All rights reserved. C1 [Mourad, Hashem M.; Williams, Todd O.; Addessio, Francis L.] Los Alamos Natl Lab, Theoret Div T 3, Los Alamos, NM 87545 USA. RP Mourad, HM (reprint author), Los Alamos Natl Lab, Theoret Div T 3, Mail Stop B216, Los Alamos, NM 87545 USA. EM hmourad@lanl.gov OI Mourad, Hashem/0000-0003-2621-3867 NR 46 TC 10 Z9 10 U1 1 U2 4 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2008 VL 198 IS 3-4 BP 542 EP 554 DI 10.1016/j.cma.2008.09.006 PG 13 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 385LY UT WOS:000261816900013 ER PT J AU Dolbow, J Mosso, S Robbins, J Voth, T AF Dolbow, John Mosso, Stewart Robbins, Joshua Voth, Tom TI Coupling volume-of-fluid based interface reconstructions with the extended finite element method SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article DE interface reconstruction; extended finite element; volume-of-fluid ID PARTITION; GROWTH; SET AB We examine the coupling of the patterned-interface-reconstruction (PIR) algorithm with the extended finite element method (X-FEM) for general multi-material problems over structured and unstructured meshes. The coupled method offers the advantages of allowing for local, element-based reconstructions of the interface, and facilitates the imposition of discrete conservation laws. Of particular note is the use of an interface representation that is volume-of-fluid based, giving rise to a segmented interface representation that is not continuous across element boundaries. In conjunction with such a representation, we employ enrichment with the ridge function for treating material interfaces and an analog to Heaviside enrichment for treating free surfaces. We examine a series of benchmark problems that quantify the convergence aspects of the coupled method and examine the sensitivity to noise in the interface reconstruction. The fidelity of a remapping strategy is also examined for a moving interface problem. (c) 2007 Elsevier B.V. All rights reserved. C1 [Dolbow, John] Dept Civil & Environm Engn, Durham, NC 27708 USA. [Mosso, Stewart; Robbins, Joshua; Voth, Tom] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Dolbow, J (reprint author), Dept Civil & Environm Engn, Durham, NC 27708 USA. EM jdolbow@duke.edu RI Dolbow, John/F-9347-2010 NR 20 TC 1 Z9 4 U1 0 U2 6 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2008 VL 197 IS 5 BP 439 EP 447 DI 10.1016/j.cma.2007.08.010 PG 9 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 242YT UT WOS:000251762800010 ER PT J AU Puso, MA Laursen, TA Solberg, J AF Puso, Michael A. Laursen, T. A. Solberg, Jerome TI A segment-to-segment mortar contact method for quadratic elements and large deformations SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article DE contact/impact; friction; mortar methods; quadratic interpolation; large deformation ID FORMULATION AB This paper describes a new extension of mortar based, segment-to-segment algorithms for large deformation contact analysis, permitting their use when quadratic interpolations are used in the underlying finite element method. The work builds upon results previously described by Puso and Laursen [M.A. Puso, T.A. Laursen, A mortar segment-to-segment contact method for large deformation solid mechanics, Comput. Methods Appl. Mech. Engrg. 193 (2004) 601-629; M.A. Puso, T.A. Laursen, A mortar segment-to-segment frictional contact method for large deformations, Comput. Methods Appl. Mech. Engrg. 193 (2004) 601-629], where methods were developed for quasistatic and implicit dynamic analysis in the context of linear element interpolations. Here, we see that many algorithmic ideas from the linear case can be adopted for use with quadratic elements along with different alternative interpolations of the mortar (contact) multipliers. The result is a class of methods appropriate for use for either mesh tying, true large sliding simulation (frictionless or frictional) and readily admits mixing of element types. Several numerical examples are given to demonstrate the effectiveness of the approach. (D 2007 Elsevier 13N. All rights reserved. C1 [Puso, Michael A.; Solberg, Jerome] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Laursen, T. A.] Duke Univ, Dept Civil & Environm Engn, Computat Mech Lab, Durham, NC 27708 USA. RP Puso, MA (reprint author), Lawrence Livermore Natl Lab, PO Box 808, Livermore, CA 94550 USA. EM puso@llnl.gov OI Laursen, Tod/0000-0003-4704-7730 NR 20 TC 52 Z9 53 U1 1 U2 15 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2008 VL 197 IS 6-8 BP 555 EP 566 DI 10.1016/j.cma.2007.08.009 PG 12 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 241LE UT WOS:000251657100008 ER PT J AU Scovazzi, G Love, E Shashkov, M AF Scovazzi, G. Love, E. Shashkov, Mt TI Multi-scale Lagrangian shock hydrodynamics on Q1/P0 finite elements: Theoretical framework and two-dimensional computations SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article DE Lagrangian shock hydrodynamics; variational multi-scale method; stabilization; hourglass instability ID ASSUMED STRAIN STABILIZATION; HEXAHEDRAL ELEMENT; FORMULATION; ALGORITHMS; VISCOSITY; ENERGY; FLUX; SUPG AB A new multi-scale, stabilized method for Q1/P0 finite element computations of Lagrangian shock hydrodynamics is presented. Instabilities (of hourglass type) are controlled by a stabilizing operator derived using the variational multi-scale analysis paradigm. The resulting stabilizing term takes the form of a pressure correction. With respect to broadly accepted hourglass control approaches, the novelty of the method resides in its residual-based character. The stabilizing residual has a definite physical significance, since it embeds a discrete form of the Clausius-Duhem inequality. Effectively, the proposed stabilization samples the production of entropy to counter numerical instabilities. The proposed technique is applied to materials with no shear strength (e.g., fluids), for which there exists a caloric equation of state, and extensions to the case of materials with shear strength (e.g., solids) are also envisioned. The stabilization operator is incorporated into a mid-point, predictor/multi-corrector time integration algorithm, which conserves mass, momentum and total energy. Encouraging numerical results in the context of compressible gas dynamics confirm the potential of the method. (C) 2007 Elsevier B.V. All rights reserved. C1 [Scovazzi, G.; Love, E.] Sandia Natl Labs, Computat & Multiphys Dept 1431, Albuquerque, NM 87185 USA. [Shashkov, Mt] Los Alamos Natl Lab, Div Theoret, Grp T7, Los Alamos, NM 87545 USA. RP Scovazzi, G (reprint author), Sandia Natl Labs, Computat & Multiphys Dept 1431, POB 5800,MS 1319, Albuquerque, NM 87185 USA. EM gscovaz@sandia.gov NR 33 TC 39 Z9 41 U1 0 U2 2 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2008 VL 197 IS 9-12 BP 1056 EP 1079 DI 10.1016/j.cma.2007.10.002 PG 24 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 257JF UT WOS:000252794400011 ER PT J AU Pilch, M AF Pilch, Martin TI Special issue: Validation challenge workshop - Preface SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Editorial Material C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Pilch, M (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 0 TC 1 Z9 1 U1 0 U2 0 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2008 VL 197 IS 29-32 BP 2373 EP 2374 DI 10.1016/j.cma.2007.10.017 PG 2 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 315CR UT WOS:000256856000001 ER PT J AU Hills, RG Pilch, M Dowding, KJ Red-Horse, J Paez, TL Babuska, I Tempone, R AF Hills, Richard G. Pilch, Martin Dowding, Kevin J. Red-Horse, John Paez, Thomas L. Babuska, Ivo Tempone, Raul TI Validation challenge workshop SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Editorial Material DE validation; modeling; simulation ID COMPUTATIONAL FLUID-DYNAMICS; MODEL VALIDATION; VERIFICATION; UNCERTAINTY; CODE; SIMULATION AB This special issue presents the results of the Sandia organized Model Validation Challenge Workshop, held May 2006. The workshop brought together researchers from different fields to present various approaches to model validation, and focused on the methodological elements of model validation rather than on model building. Three problems were defined in the disciplines of structural statics, structural dynamics, and heat transfer, all with a uniform structure. The workshop was specifically designed to investigate the relative merits of different approaches to hierarchal model validation through application to these problems. This paper describes a hierarchal approach in the challenge problems, presents the uniform conceptual framework that was used for the challenge problem definitions, and provides an overview of the organization of this special issue. (C) 2008 Elsevier B.V. All rights reserved. C1 [Babuska, Ivo] Univ Texas Austin, ICES, Austin, TX 78712 USA. [Hills, Richard G.] New Mexico State Univ, Las Cruces, NM 88003 USA. [Pilch, Martin; Dowding, Kevin J.; Red-Horse, John; Paez, Thomas L.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Tempone, Raul] Florida State Univ, SCS, Tallahassee, FL 32306 USA. RP Babuska, I (reprint author), Univ Texas Austin, ICES, Austin, TX 78712 USA. EM babuska@ices.utexas.edu RI TEMPONE, RAUL/G-6557-2014 OI TEMPONE, RAUL/0000-0003-1967-4446 NR 24 TC 24 Z9 29 U1 0 U2 12 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 EI 1879-2138 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2008 VL 197 IS 29-32 BP 2375 EP 2380 DI 10.1016/j.cma.2007.10.016 PG 6 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 315CR UT WOS:000256856000002 ER PT J AU Dowding, KJ Red-Horse, JR Paez, TL Babuska, IM Hills, RG Tempone, R AF Dowding, Kevin J. Red-Horse, John R. Paez, Thomas L. Babuska, Ivo M. Hills, Richard G. Tempone, Raul TI Validation challenge workshop summary SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Editorial Material C1 [Dowding, Kevin J.; Red-Horse, John R.; Paez, Thomas L.] Sandia Natl Labs, Validat & Uncertainty Quantificat Dept, Albuquerque, NM 87185 USA. [Babuska, Ivo M.; Tempone, Raul] Univ Texas Austin, ICES, Austin, TX 78712 USA. [Hills, Richard G.] New Mexico State Univ, Las Cruces, NM 88003 USA. [Tempone, Raul] Florida State Univ, Dept Math Sci, Sch Computat Sci, Tallahassee, FL 32306 USA. RP Dowding, KJ (reprint author), Sandia Natl Labs, Validat & Uncertainty Quantificat Dept, Albuquerque, NM 87185 USA. EM babuska@ices.utexas.edu RI TEMPONE, RAUL/G-6557-2014 OI TEMPONE, RAUL/0000-0003-1967-4446 NR 7 TC 2 Z9 2 U1 1 U2 2 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2008 VL 197 IS 29-32 BP 2381 EP 2384 DI 10.1016/j.cma.2007.10.015 PG 4 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 315CR UT WOS:000256856000003 ER PT J AU Dowding, KJ Pilch, M Hills, RG AF Dowding, Kevin J. Pilch, Martin Hills, Richard G. TI Formulation of the thermal problem SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article; Proceedings Paper CT Validation Methodology Workshop CY MAY 22-23, 2006 CL Albuquerque, NM SP Sandia Natl Lab DE validation; uncertainty; simulation; modeling; thermal AB This paper describes the thermal problem and presents the experimental data for validation. The thermal problem involves validating a model for heat conduction in a solid. The mathematical model is based on one-dimensional, linear heat conduction in a solid slab, with heat flux boundary conditions. Experimental data from a series of material characterization, validation, and accreditation experiments related to the mathematical model are provided. The objective is to use the series of experiments to assess the model, and then use the model to predict regulatory performance relative to a regulatory requirement. The regulatory requirement is defined in terms of the probability that a surface temperature not exceed a specified temperature at the regulatory conditions. (C) 2007 Elsevier B.V. All rights reserved. C1 [Dowding, Kevin J.] Sandia Natl Labs, Validat & Uncertainty Quantificat Dept 1544, Albuquerque, NM 87185 USA. [Pilch, Martin] Sandia Natl Labs, QMU, Albuquerque, NM 87185 USA. [Pilch, Martin] Sandia Natl Labs, Management Support Dept 1221, Albuquerque, NM 87185 USA. [Hills, Richard G.] New Mexico State Univ, Dept Mech Engn, Dept 3450, Las Cruces, NM 88003 USA. RP Dowding, KJ (reprint author), Sandia Natl Labs, Validat & Uncertainty Quantificat Dept 1544, POB 5800, Albuquerque, NM 87185 USA. EM kjdowdi@sandia.gov; mpilch@sandia.gov; rhills@nmsu.edu NR 1 TC 31 Z9 37 U1 0 U2 7 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2008 VL 197 IS 29-32 BP 2385 EP 2389 DI 10.1016/j.cma.2007.09.029 PG 5 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 315CR UT WOS:000256856000004 ER PT J AU Ferson, S Oberkampf, WL Ginzburg, L AF Ferson, Scott Oberkampf, William L. Ginzburg, Lev TI Model validation and predictive capability for the thermal challenge problem SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article; Proceedings Paper CT Validation Methodology Workshop CY MAY 22-23, 2006 CL Albuquerque, NM SP Sandia Natl Lab DE validation; predictive capability; thermal challenge problem; area metric ID UNCERTAINTY; PROPAGATION AB We address the thermal problem posed at the Sandia Validation Challenge Workshop. Unlike traditional approaches that confound calibration with validation and prediction, our approach strictly distinguishes these activities, and produces a quantitative measure of model-form uncertainty in the face of available data. We introduce a general validation metric that can be used to characterize the disagreement between the quantitative predictions from a model and relevant empirical data when either or both predictions and data are expressed as probability distributions. By considering entire distributions, this approach generalizes traditional approaches to validation that focus only on the mean behaviors of predictions and observations. The proposed metric has several desirable properties that should make it practically useful in engineering, including objectiveness and robustness, retaining the units of the data themselves, and generalizing the deterministic difference. The metric can be used to assess the overall performance of a model against all the experimental observations in the validation domain and it can be extrapolated to express predictive capability of the model under conditions for which direct experimental observations are not available. We apply the metric and the scheme for characterizing predictive capability to the thermal problem. (C) 2007 Elsevier B.V. All rights reserved. C1 [Oberkampf, William L.] Sandia Natl Labs, Validat & Uncertainty Estimat Dept, Dept 1544, Albuquerque, NM 87185 USA. [Ginzburg, Lev] SUNY Stony Brook, Dept Ecol & Evolut, Stony Brook, NY 11794 USA. RP Ferson, S (reprint author), 100 N Country Rd, Setauket, NY 11733 USA. EM scott@ramas.com NR 40 TC 62 Z9 69 U1 1 U2 11 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2008 VL 197 IS 29-32 BP 2408 EP 2430 DI 10.1016/j.cma.2007.07.030 PG 23 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 315CR UT WOS:000256856000006 ER PT J AU Hills, RG Dowding, KJ AF Hills, Richard G. Dowding, Kevin J. TI Multivariate approach to the thermal challenge problem SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article; Proceedings Paper CT Validation Methodology Workshop CY MAY 22-23, 2006 CL Albuquerque, NM SP Sandia Natl Lab DE validation; multivariate statistics; uncertainty ID COMPUTATIONAL FLUID-DYNAMICS; CODE VERIFICATION; MODEL VALIDATION; UNCERTAINTY; SENSITIVITY; SIMULATION AB This paper presents an engineering approach to the thermal challenge problem defined by Dowding et al. (this issue). This approach to model validation is based on a multivariate validation metric that accounts for model parameter uncertainty and correlation between multiple measurement/prediction differences. The effect of model parameter uncertainty is accounted for through first-order sensitivity analysis for the ensemble/validation tests, and first-order sensitivity analysis and Monte-Carlo analysis for the regulatory prediction. While sensitivity based approaches are less computational expensive than Monte-Carlo approaches, they are less likely to capture the far tail behavior of even mildly nonlinear models. The application of the sensitivity based validation metric provided strong evidence that the tested model was not consistent with the experimental data. The use of a temperature dependent effective conductivity with the linear model resulted in model predictions that were consistent with the data. The correlation structure of the model was used to pool the prediction/measurement differences to evaluate the corresponding cumulative density function (CDF). Both the experimental CDF and the predicted CDFs indicated that the regulatory criterion was not met. Published by Elsevier B.V. C1 [Hills, Richard G.] New Mexico State Univ, Dept Mech Engn, Dept 3450, Las Cruces, NM 88003 USA. [Dowding, Kevin J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Hills, RG (reprint author), New Mexico State Univ, Dept Mech Engn, Dept 3450, POB 3001, Las Cruces, NM 88003 USA. EM rhills@nmsu.edu NR 36 TC 12 Z9 15 U1 0 U2 5 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 EI 1879-2138 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2008 VL 197 IS 29-32 BP 2442 EP 2456 DI 10.1016/j.cma.2007.09.027 PG 15 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 315CR UT WOS:000256856000008 ER PT J AU Rutherford, BM AF Rutherford, Brian M. TI Computational modeling issues and methods for the "regulatory problem" in engineering - Solution to the thermal problem SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article; Proceedings Paper CT Validation Methodology Workshop CY MAY 22-23, 2006 CL Albuquerque, NM SP Sandia Natl Lab DE regulatory problem; calibration; model validation; model-based prediction ID INPUT VARIABLES AB Many of the problems addressed through engineering analysis include a set of regulatory (or other) probabilistic requirements that must be demonstrated with some degree of confidence through the analysis. Problems cast in this environment can pose new challenges for computational analyses in both model validation and model-based prediction. The "regulatory problems" given for the "Sandia challenge problems exercise", while relatively simple, provide an opportunity to demonstrate methods that address these challenges. This paper describes and illustrates a method for prediction in situations where extrapolation is involved. Specifically, we discuss methodology for compensating for computational/experimental discrepancies identified in the validation analysis. This includes the description of an approach that can be applied when the required prediction involves extrapolation along axes that are difficult to express in Euclidian space (different structures, for example). These methods are illustrated using the Sandia thermal challenge problem. Published by Elsevier B.V. C1 Sandia Natl Labs, Independent Surveillance Assessment & Stat Dept, Albuquerque, NM 87185 USA. RP Rutherford, BM (reprint author), Sandia Natl Labs, Independent Surveillance Assessment & Stat Dept, POB 5800, Albuquerque, NM 87185 USA. EM bmruthe@sandia.gov NR 8 TC 7 Z9 9 U1 0 U2 0 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2008 VL 197 IS 29-32 BP 2480 EP 2489 DI 10.1016/j.cma.2007.08.030 PG 10 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 315CR UT WOS:000256856000011 ER PT J AU Hills, RG Dowding, KJ Swiler, L AF Hills, R. G. Dowding, K. J. Swiler, L. TI Thermal challenge problem: Summary SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article; Proceedings Paper CT Validation Methodology Workshop CY MAY 22-23, 2006 CL Albuquerque, NM SP Sandia Natl Lab DE validation; modeling; simulation AB This paper summarizes the approaches used to address the thermal validation challenge problem. The approaches differ in their characterization of the thermal properties and uncertainty, the definitions and use of validation metrics, the use of validation experimental data to characterize or improve the model predictions, and the assessment of regulatory compliance. All approaches estimated regulatory failure with the resulting estimated probabilities varying by an order of magnitude. Published by Elsevier B.V. C1 [Hills, R. G.] New Mexico State Univ, Las Cruces, NM 88003 USA. [Dowding, K. J.; Swiler, L.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Hills, RG (reprint author), New Mexico State Univ, POB 30001, Las Cruces, NM 88003 USA. EM rhills@nmsu.edu NR 11 TC 4 Z9 6 U1 2 U2 3 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2008 VL 197 IS 29-32 BP 2490 EP 2495 DI 10.1016/j.cma.2007.07.032 PG 6 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 315CR UT WOS:000256856000012 ER PT J AU Grigoriu, MD Field, RV AF Grigoriu, M. D. Field, R. V., Jr. TI A solution to the static frame validation challenge problem using Bayesian model selection SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article; Proceedings Paper CT Validation Methodology Workshop CY MAY 22-23, 2006 CL Albuquerque, NM SP Sandia Natl Lab DE Bayesian analysis; model selection; model validation; random fields AB We provide a solution to the static frame validation challenge problem (see this issue) in a manner that is consistent with the guidelines provided by the Validation Challenge Workshop tasking document. The static frame problem is constructed such that variability in material properties is known to be the only source of uncertainty in the system description, but there is ignorance on the type of model that best describes this variability. Hence both types of uncertainty, aleatoric and epistemic, are present and must be addressed. Our approach is to consider a collection of competing probabilistic models for the material properties, and calibrate these models to the information provided; models of different levels of complexity and numerical efficiency are included in the analysis. A Bayesian formulation is used to select the optimal model from the collection, which is then used for the regulatory assessment. Bayesian credible intervals are used to provide a measure of confidence to our regulatory assessment. (C) 2008 Elsevier B.V. All rights reserved. C1 [Grigoriu, M. D.] Cornell Univ, Ithaca, NY 14853 USA. [Field, R. V., Jr.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Grigoriu, MD (reprint author), Cornell Univ, 369 Hollister Hall, Ithaca, NY 14853 USA. EM mdg12@cornell.edu; rvfield@sandia.gov OI Field, Richard/0000-0002-2765-7032 NR 11 TC 5 Z9 5 U1 0 U2 1 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2008 VL 197 IS 29-32 BP 2540 EP 2549 DI 10.1016/j.cma.2007.09.023 PG 10 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 315CR UT WOS:000256856000016 ER PT J AU Red-Horse, JR Paez, TL AF Red-Horse, J. R. Paez, T. L. TI Sandia National Laboratories Validation Workshop: Structural dynamics application SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article; Proceedings Paper CT Validation Methodology Workshop CY MAY 22-23, 2006 CL Albuquerque, NM SP Sandia Natl Lab DE structural dynamics; model validation; Sandia national laboratories validation challenge workshop AB This article specifies a virtual structural dynamic subsystem and some systems, as well as mathematical models that approximately simulate them. The purpose is to define a setting for model validations conceived by participants in the Sandia National Laboratories Validation Workshop. Some broad guidelines for the model validations are set, as well as a regulatory requirement to be satisfied by the target system. Participants are directed to present techniques for subsystem model validation, to analytically predict whether or not the regulatory requirement will be met, and to estimate the likelihood of accuracy of the prediction. Published by Elsevier B.V. C1 [Red-Horse, J. R.; Paez, T. L.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Paez, TL (reprint author), Sandia Natl Labs, Mail Stop 0828, Albuquerque, NM 87185 USA. EM tlpaez@sandia.gov NR 5 TC 20 Z9 24 U1 0 U2 3 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2008 VL 197 IS 29-32 BP 2578 EP 2584 DI 10.1016/j.cma.2007.09.031 PG 7 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 315CR UT WOS:000256856000020 ER PT J AU Ghanem, RG Doostan, A Red-Horse, J AF Ghanem, Roger G. Doostan, Allreza Red-Horse, John TI A probabilistic construction of model validation SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article; Proceedings Paper CT Validation Methodology Workshop CY MAY 22-23, 2006 CL Albuquerque, NM SP Sandia Natl Lab DE model validation; uncertainty quantification; maximum likelihood ID MAXIMUM-LIKELIHOOD-ESTIMATION; CHAOS REPRESENTATIONS; STOCHASTIC-PROCESSES; POLYNOMIAL CHAOS; POROUS-MEDIA; UNCERTAINTY; PROPAGATION; FLOW; INFORMATION; ALGORITHM AB We describe a procedure to assess the predictive accuracy of process models subject to approximation error and uncertainty. The proposed approach is a functional analysis-based probabilistic approach for which we represent random quantities using polynomial chaos expansions (PCEs). The approach permits the formulation of the uncertainty assessment in validation, a significant component of the process, as a problem of approximation theory. It has two essential parts. First, a statistical procedure is implemented to calibrate uncertain parameters of the candidate model from experimental or model-based measurements. Such a calibration technique employs PCEs to represent the inherent uncertainty of the model parameters. Based on the asymptotic behavior of the statistical parameter estimator, the associated PCE coefficients are then characterized as independent random quantities to represent epistemic uncertainty due to lack of information. Second, a simple hypothesis test is implemented to explore the validation of the computational model assumed for the physics of the problem. The above validation path is implemented for the case of dynamical system validation challenge exercise. (C) 2007 Elsevier B.V. All rights reserved. C1 [Ghanem, Roger G.] Univ So Calif, Los Angeles, CA 90089 USA. [Doostan, Allreza] Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA. [Red-Horse, John] Sandia Natl Labs, Validat & Uncertainty Quantificat Dept, Albuquerque, NM 87185 USA. RP Ghanem, RG (reprint author), Univ So Calif, 210 KAP Hall, Los Angeles, CA 90089 USA. EM ghanem@usc.edu; doostan@stan-ford.edu; jrredho@sandia.gov RI Ghanem, Roger/B-8570-2008 OI Ghanem, Roger/0000-0002-1890-920X NR 47 TC 29 Z9 30 U1 0 U2 5 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2008 VL 197 IS 29-32 BP 2585 EP 2595 DI 10.1016/j.cma.2007.08.029 PG 11 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 315CR UT WOS:000256856000021 ER PT J AU Rutherford, BM AF Rutherford, Brian M. TI Computational modeling issues and methods for the "regulatory problem" in engineering - Solutions to the structural dynamics and static frame problems SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article; Proceedings Paper CT Validation Methodology Workshop CY MAY 22-23, 2006 CL Albuquerque, NM SP Sandia Natl Lab DE regulatory problem; calibration; model validation; model-based prediction ID INPUT VARIABLES AB Many of the problems addressed through engineering analysis include a set of regulatory (or other) probabilistic requirements that must be demonstrated with some degree of confidence through the analysis. Problems cast in this environment can pose new challenges for computational analyses in both model validation and model-based prediction. The "regulatory problems" given for the "Sandia challenge problems exercise", while relatively simple, provide an opportunity to demonstrate methods that address these challenges. This paper describes and illustrates methods that can be useful in analysis of the regulatory problem. Specifically, we discuss: (1) an approach for quantifying variability and uncertainty separately to assess the regulatory requirements and provide a statement of confidence; and (2) a general validation metric to focus the validation process on a specific range of the predictive distribution (the predictions near the regulatory threshold). These methods are illustrated using the challenge problems. Solutions are provided for both the static frame and structural dynamics problems. Published by Elsevier B.V. C1 Sandia Natl Labs, Independent Surveillance Assessment & Stat Dept, Albuquerque, NM 87185 USA. RP Rutherford, BM (reprint author), Sandia Natl Labs, Independent Surveillance Assessment & Stat Dept, POB 5800, Albuquerque, NM 87185 USA. EM bmruthe@sandia.gov NR 9 TC 5 Z9 6 U1 2 U2 3 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2008 VL 197 IS 29-32 BP 2632 EP 2644 DI 10.1016/j.cma.2007.07.033 PG 13 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 315CR UT WOS:000256856000025 ER PT J AU Paez, TL Red-Horse, J AF Paez, Thomas L. Red-Horse, John TI Structural dynamics challenge problem: Summary SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article; Proceedings Paper CT Validation Methodology Workshop CY MAY 22-23, 2006 CL Albuquerque, NM SP Sandia Natl Lab DE validation; structural dynamics; challenge problem AB The six papers in this special issue that develop solutions to the Structural Dynamics Challenge Problem are summarized herein. The goal is to emphasize different tools and approaches applied to various parts of the structural dynamics problem. Specifically the following issues are considered: (1) Development of a mathematical framework for uncertainty quantification of a substructure. (2) Calibration of a mathematical model for the substructure. (3) Validation of the substructure mathematical model. (4) Use of the mathematical model of the substructure, in conjunction with another structure, to make a prediction of the probability that a regulatory limit is surpassed, and discussion of the uncertainty of the prediction. Different methodologies are presented and specific results vary, however, conclusions regarding satisfaction of the regulatory requirement match. (c) 2008 Elsevier B.V. All rights reserved. C1 [Paez, Thomas L.; Red-Horse, John] Sandia Natl Labs, Dept 1544, Albuquerque, NM 87185 USA. RP Paez, TL (reprint author), Sandia Natl Labs, Dept 1544, POB 5800,MS0557, Albuquerque, NM 87185 USA. EM tlpaez@sandia.gov NR 9 TC 7 Z9 10 U1 2 U2 9 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2008 VL 197 IS 29-32 BP 2660 EP 2665 DI 10.1016/j.cma.2007.09.026 PG 6 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 315CR UT WOS:000256856000027 ER PT J AU Ross, MR Felippa, CA Park, KC Sprague, MA AF Ross, Michael R. Felippa, Carlos A. Park, K. C. Sprague, Michael A. TI Treatment of acoustic fluid-structure interaction by localized Lagrange multipliers: Formulation SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article DE coupled systems; fluid-structure interaction; earthquake dynamics; partitioned analysis; non-matching meshes; Lagrange multipliers ID COUPLED AEROELASTIC PROBLEMS; FINITE-ELEMENT ANALYSIS; SOLID SYSTEMS; CAVITATION; CONSTRUCTION; CONSERVATION; INTERFACES; ALGORITHM AB A new concept is presented for modeling the dynamic interaction between an acoustic fluid and an elastic structure. The coupling of this multiphysics system is done by inserting a kinematic interface frame between the fluid and the structure, and using node-collocated Lagrange multipliers to connect the frame to each subsystem. The time-domain response analysis is performed by a partitioned analysis procedure. The main advantages of this localized Lagrange multiplier (LLM) primal-dual coupling method are: complete localization of the structure and fluid subsystems, elimination of the conventional predictor in the partitioned time integration method, and the ability to accommodate non-matching meshes. The standard Newmark time integrator is used on both the fluid and structure models. It is shown that if the integrator is A-stable and second-order accurate for a monolithic treatment, it retains those properties for both Mortar and LLM partitioned solution procedures. Infinite and finite piston problems are used to explain and verify the methodology. A sequel paper under preparation presents and discusses a set of benchmark and application examples that involve the response of existing dams to seismic excitation. (C) 2008 Elsevier B.V. All rights reserved. C1 [Ross, Michael R.] Sandia Natl Labs, Analyt Struct Dynam Dept, Albuquerque, NM 87185 USA. [Felippa, Carlos A.; Park, K. C.] Univ Colorado, Dept Aerosp Engn Sci, Boulder, CO 80309 USA. [Felippa, Carlos A.; Park, K. C.] Univ Colorado, Ctr Aerosp Struct, Boulder, CO 80309 USA. [Sprague, Michael A.] Univ Calif, Sch Nat Sci, Merced, CA 95344 USA. RP Ross, MR (reprint author), Sandia Natl Labs, Analyt Struct Dynam Dept, POB 5800,MS 0346, Albuquerque, NM 87185 USA. EM mross11a@gmail.com RI park, k.c./E-8898-2010 NR 50 TC 22 Z9 24 U1 0 U2 10 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2008 VL 197 IS 33-40 BP 3057 EP 3079 DI 10.1016/j.cma.2008.02.017 PG 23 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 326NO UT WOS:000257666400025 ER PT J AU Park, HS Fang, HE Fish, J Huang, HC AF Park, Harold S. Fang, H. Eliot Fish, Jacob Huang, Hanchen TI Recent advances in computational study of nanostructures SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Editorial Material C1 [Park, Harold S.] Univ Colorado, Boulder, CO 80309 USA. [Fang, H. Eliot] Sandia Natl Labs, Livermore, CA 94550 USA. [Fish, Jacob; Huang, Hanchen] Rensselaer Polytech Inst, Troy, NY 12181 USA. RP Park, HS (reprint author), Univ Colorado, Boulder, CO 80309 USA. EM harold@colorado.edu RI Huang, Hanchen/A-9323-2008 NR 0 TC 0 Z9 0 U1 0 U2 2 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2008 VL 197 IS 41-42 BP 3173 EP 3173 DI 10.1016/j.cma.2008.03.018 PG 1 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 345FN UT WOS:000258981600001 ER PT J AU Wagner, GJ Jones, RE Templeton, JA Parks, ML AF Wagner, G. J. Jones, R. E. Templeton, J. A. Parks, M. L. TI An atomistic-to-continuum coupling method for heat transfer in solids SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article DE atomistic-to-continuum coupling; heat transfer; finite elements; multi-scale simulations ID MOLECULAR-DYNAMICS SIMULATIONS; TEMPERATURE; COMPUTER; ARGON; FLOW AB In this work, we present a seamless, energy-conserving method to couple atomistic and continuum representations of a temperature field in a material. This technique allows a molecular dynamics simulation to be used in localized regions of the computational domain, surrounded and overlaid by a continuum finite element representation. Thermal energy can pass between the two regions in either direction, making larger simulations of nano-scale thermal processes possible. We discuss theoretical developments and numerical implementation details. In addition, we present and analyze a set of representative simulations. Published by Elsevier B.V. C1 [Wagner, G. J.; Templeton, J. A.] Sandia Natl Labs, Fluid Thermal Sci & Engn Dept, Livermore, CA 94551 USA. [Jones, R. E.] Sandia Natl Labs, Mech Mat Dept, Livermore, CA 94551 USA. [Parks, M. L.] Sandia Natl Labs, Applied Math & Applicat Dept, Albuquerque, NM 87123 USA. RP Wagner, GJ (reprint author), Sandia Natl Labs, Fluid Thermal Sci & Engn Dept, Livermore, CA 94551 USA. EM gjwagne@sandia.gov; rjones@sandia.gov; jatempl@sandia.gov; mlparks@sandia.gov RI Parks, Michael/A-2878-2008; Wagner, Gregory/I-4377-2015 FU United States Department of Energy [DE-AC04-94AL85000] FX Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under contract DE-AC04-94AL85000. We are grateful for helpful discussions with Rich Lehoucq, Pavel Bochev, Alex Slepoy and Jon Zimmerman in the development of this work and preparation of the manuscript. NR 33 TC 27 Z9 28 U1 2 U2 22 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2008 VL 197 IS 41-42 BP 3351 EP 3365 DI 10.1016/j.cma.2008.02.004 PG 15 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 345FN UT WOS:000258981600014 ER PT J AU Battaile, CC AF Battaile, Corbett C. TI The kinetic Monte Carlo method: Foundation, implementation, and application SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article DE Monte Carlo; simulation; vacancy diffusion; grain growth; thin him ID VAPOR-DEPOSITION; CRYSTAL-GROWTH; SIMULATION; SYSTEMS; SURFACES AB The Kinetic Monte Carlo method provides a simple yet powerful and flexible tool for exercising the concerted action of fundamental, stochastic, physical mechanisms to create a model of the phenomena that they produce. This manuscript contains an overview of the theory behind the method, some simple examples to illustrate its implementation, and a technologically relevant application of the method to model the refinement of grains during polycrystalline thin film deposition. The objective is to provide an introduction to the method and its basics, and to present useful examples that might be followed to achieve its implementation for solving practical problems. (c) 2008 Elsevier B.V. All rights reserved. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Battaile, CC (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM ccbatta@sandia.gov NR 22 TC 53 Z9 57 U1 3 U2 39 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 EI 1879-2138 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2008 VL 197 IS 41-42 BP 3386 EP 3398 DI 10.1016/j.cma.2008.03.010 PG 13 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 345FN UT WOS:000258981600017 ER PT J AU Lin, G Su, CH Karniadakis, GE AF Lin, G. Su, C. -H. Karniadakis, G. E. TI Stochastic modeling of random roughness in shock scattering problems: Theory and simulations SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article DE supersonic flow; uncertainty quantification; multi-element probabilistic collocation method; sparse grids ID DIFFERENTIAL-EQUATIONS; ORTHOGONAL POLYNOMIALS; SOBOLEV SPACES; REFLECTION; WEDGE; CHAOS AB Random roughness is omnipresent in engineering applications and may often affect performance in unexpected way. Here, we employ synergistically stochastic simulations and second-order stochastic perturbation analysis to study supersonic flow past a wedge with random rough surface. The roughness (of length d) starting at the wedge apex is modeled as stochastic process (with zero mean and correlation length A) obtained from a new stochastic differential equation. A multi-element probabilistic collocation method (ME-PCM) on sparse grids is employed to solve the stochastic Euler equations while a WENO scheme is used to discretize the equations in two spatial dimensions. The perturbation analysis is used to verify the stochastic simulations and to provide insight for small values of A, where stochastic simulations become prohibitively expensive. We show that the random roughness enhances the lift and drag forces on the wedge beyond the rough region, and this enhancement is proportional to (d/A)(2). The effects become more pronounced as the Mach number increases. These results can be used in designing smart rough skins for airfoils for maximum lift enhancement at a minimum drag penalty. (C) 2008 Elsevier B.V. All rights reserved. C1 [Su, C. -H.; Karniadakis, G. E.] Brown Univ, Div Appl Math, Providence, RI 02912 USA. [Lin, G.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Karniadakis, GE (reprint author), Brown Univ, Div Appl Math, Providence, RI 02912 USA. EM gk@dam.brown.edu RI Lin, Guang/D-1376-2011 NR 24 TC 15 Z9 15 U1 0 U2 0 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2008 VL 197 IS 43-44 BP 3420 EP 3434 DI 10.1016/j.cma.2008.02.025 PG 15 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 347IB UT WOS:000259132700002 ER PT J AU Lim, H Yu, Y Jin, H Kim, D Lee, H Glimm, J Li, XL Sharp, DH AF Lim, H. Yu, Y. Jin, H. Kim, D. Lee, H. Glimm, J. Li, X-L Sharp, D. H. TI Multiscale models for fluid mixing SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article DE turbulence; multiphase flow; averaged equations; closure; subgrid models ID CONSERVATIVE FRONT TRACKING; RAYLEIGH-TAYLOR INSTABILITY; LARGE-EDDY SIMULATION; 2-PHASE FLOW MODELS; DIMENSIONS AB Recent work of the authors and colleagues on the turbulent mixing of compressible fluids is developed and extended with an emphasis on the multiscale aspects of this work. Specifically, we study an interplay between micro and macro aspects of mixing. (C) 2008 Elsevier B.V. All rights reserved. C1 [Lim, H.; Yu, Y.; Kim, D.; Glimm, J.; Li, X-L] SUNY Stony Brook, Dept Appl Math & Stat, Stony Brook, NY 11794 USA. [Jin, H.] Cheju Natl Univ, Dept Math, Cheju 690756, South Korea. [Lee, H.] Univ Illinois, Urbana, IL 61801 USA. [Glimm, J.] Brookhaven Natl Lab, Computat Sci Ctr, Upton, NY 11793 USA. [Sharp, D. H.] Los Alamos Natl Lab, Los Alamos, NM USA. RP Yu, Y (reprint author), SUNY Stony Brook, Dept Appl Math & Stat, Stony Brook, NY 11794 USA. EM hyulim@ams.sunysb.edu; yan2000@ams.sunysb.edu; hjin@cheju.ac.kr; boscokim@ams.sunysb.edu; hslee@ams.sunysb.edu; glimm@ams.sunysb.edu; linli@ams.sunysb.edu; dcso@lanl.gov NR 44 TC 8 Z9 9 U1 0 U2 4 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2008 VL 197 IS 43-44 BP 3435 EP 3444 DI 10.1016/j.cma.2008.02.027 PG 10 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 347IB UT WOS:000259132700003 ER PT J AU Scherzinger, WM Dohrmann, CR AF Scherzinger, W. M. Dohrmann, C. R. TI A robust algorithm for finding the eigenvalues and eigenvectors of 3 x 3 symmetric matrices SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article DE eigenvalues; eigenvectors; principal coordinates ID SQUARE-ROOT AB Many concepts in continuum mechanics are most easily understood in principal coordinates; using these concepts in a numerical analysis requires a robust algorithm for finding the eigenvalues and eigenvectors of 3 x 3 symmetric matrices. A robust algorithm for solving this eigenvalue problem is presented along with an analysis of the algorithm. The special case of two or three nearly identical eigenvalues is examined in detail using an asymptotic analysis. Numerical results are shown that compare this algorithm with existing methods found in the literature. The behavior of this algorithm is shown to be more reliable than the other methods with a minimal computational cost. (C) 2008 Elsevier B.V. All rights reserved. C1 [Scherzinger, W. M.; Dohrmann, C. R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Scherzinger, WM (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM wmscher@sandia.gov FU Sandia Corporation; Lockheed Mar-tin Company; United States Department of Energy [DE-AC04-94AL85000] FX Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Mar-tin Company, for the United States Department of Energy under contract DE-AC04-94AL85000. NR 8 TC 4 Z9 4 U1 1 U2 3 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2008 VL 197 IS 45-48 BP 4007 EP 4015 DI 10.1016/j.cma.2008.03.031 PG 9 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 356AH UT WOS:000259750600034 ER PT J AU Badia, S Quaini, A Quarteroni, A AF Badia, Santiago Quaini, Annalisa Quarteroni, Alfio TI Modular vs. non-modular preconditioners for fluid-structure systems with large added-mass effect SO COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING LA English DT Article DE Fluid-structure interaction; Partitioned procedures; Preconditioners; Semi-implicit coupling; Added-mass effect; Hemodynamics ID FINITE-ELEMENT APPROXIMATION; ALGORITHMS; FORMULATION; SOLVER; FLOWS AB In this article we address the numerical simulation of fluid-structure interaction (FSI) problems featuring large added-mass effect. We analyze different preconditioners for the coupled system matrix obtained after space-time discretization and linearization of the FSI problem. The classical Dirichlet-Neumann preconditioner has the advantage of "modularity" because it allows to reuse existing fluid and structure codes with minimum effort (simple interface communication). Unfortunately, its performance is very poor in case of large added-mass effects. Alternatively, we consider two non-modular approaches. The first one consists in preconditioning the coupled system with a suitable diagonal scaling combined with an [LUT preconditioner. The system is then solved by a Krylov method. The drawback of this procedure is that the combination of fluid and structure codes to solve the coupled system is not straightforward. The second non-modular approach we consider is a splitting technique based on an inexact block-LU factorization of the linear FSI system. The resulting algorithm computes the fluid velocity separately from the coupled pressure-structure system at each iteration, reducing the computational cost. Independently of the preconditioner, the efficiency of semi-implicit algorithms (i.e., those that treat geometric and fluid nonlinearities in an explicit way) is highlighted and their performance compared to the one of implicit algorithms. All the methods are tested on three-dimensional blood-vessel systems. The algorithm combining the non-modular ILUT preconditioner with Krylov methods proved to be the fastest. (c) 2008 Elsevier B.V. All rights reserved. C1 [Badia, Santiago] Univ Politecn Cataluna, CIMNE, ES-08034 Barcelona, Spain. [Badia, Santiago] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Quaini, Annalisa; Quarteroni, Alfio] Ecole Polytech Fed Lausanne, IACS, Chair Modeling & Sci Comp, CH-1015 Lausanne, Switzerland. [Quarteroni, Alfio] Politecn Milan, Dipartimento Matemat F Brioschi, MOX, I-20133 Milan, Italy. RP Badia, S (reprint author), Univ Politecn Cataluna, CIMNE, Jordi Girona 1-3,Edifici C1, ES-08034 Barcelona, Spain. EM sbadia@cimne.upc.edu; annalisa.quaini@epfl.ch; alfio.quarteroni@epfl.ch RI Quarteroni, Alfio/E-6873-2015; Badia, Santiago/L-8565-2014 OI Quarteroni, Alfio/0000-0002-5947-6885; Badia, Santiago/0000-0003-2391-4086 FU European Community through the Marie Curie [MOIF-CT-2006-039522]; Swiss National Science Foundation [200021-109378/1] FX Santiago Badia acknowledges the support of the European Community through the Marie Curie contract NanoSim (MOIF-CT-2006-039522). Annalisa Quaini acknowledges the support of the Swiss National Science Foundation under Grant 200021-109378/1. NR 36 TC 58 Z9 58 U1 2 U2 6 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0045-7825 J9 COMPUT METHOD APPL M JI Comput. Meth. Appl. Mech. Eng. PY 2008 VL 197 IS 49-50 BP 4216 EP 4232 DI 10.1016/j.cma.2008.04.018 PG 17 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 370LW UT WOS:000260764700012 ER PT J AU Monville, ME Lamb, JD Pereira, JCG Truter, JA AF Monville, M. E. Lamb, J. D. Pereira, J. C. G. Truter, J. A. TI Simulation of laser-induced nanopattern formation SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article DE diffusion; thin-film; physical vapor deposition; substrate; nanofabrication; laser optics ID STANDING-WAVE; DEPOSITION; MOTION; LIGHT; ATOMS AB Over the last decade it has been shown theoretically and experimentally that a near-resonant standing wave light field can be used during deposition to deflect collimated neutral atoms, thereby constraining them to form periodic structures. Another effect studied in recent experiments is that a laser interference pattern in contact with a substrate can also result in patterns mimicking the interference fringes. This patterning has tentatively been attributed to thermal gradients resulting from non-uniform heating induced by the interference patterns. We developed a model and a computer program to investigate the possibility of making these two laser effects interact constructively to refine the resolution. The simulations proceed in two stages: first, atom trajectories in a laser field are simulated using classical-mechanical equations of motion in an effective potential to obtain the deposition profile; then, the obtained profile is used as an input in a kinetic Monte Carlo (KMC) simulation of atom diffusion on a substrate with spatially varying temperature. Our results show substantial improvement in quality of the patterns compared to that achieved by using either effect alone. We examine many growth conditions in addition to the different laser parameter settings for optimal constructive interference of the two effects. The computer code used in the simulations is designed to run efficiently on both simple PC platforms and supercomputers; its design, data structures used and other features are described in detail. (c) 2007 Elsevier B.V. All rights reserved. C1 Univ Aberdeen, Sch Business, Kings Coll, Aberdeen AB24 3QY, Scotland. [Monville, M. E.] Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. [Monville, M. E.] Washington Univ, Dept Phys, St Louis, MO 63130 USA. [Pereira, J. C. G.] Inst Super Tecn, Dept Mat Engn, Lisbon, Portugal. [Truter, J. A.] TruSoft Software, ZA-7536 Tyger Valley, South Africa. RP Lamb, JD (reprint author), Univ Aberdeen, Sch Business, Kings Coll, Aberdeen AB24 3QY, Scotland. EM J.D.Lamb@abdn.ac.uk RI Lamb, John/J-7870-2012 OI Lamb, John/0000-0002-5849-7772 NR 17 TC 0 Z9 0 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 EI 1879-2944 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD JAN 1 PY 2008 VL 178 IS 1 BP 40 EP 47 DI 10.1016/j.cpc.2007.08.011 PG 8 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 257IS UT WOS:000252793000005 ER PT J AU Ballentine, GE Bertsch, GF Onishi, N Yabana, K AF Ballentine, G. E. Bertsch, G. F. Onishi, N. Yabana, K. TI Moment distributions of clusters and molecules in the adiabatic rotor model SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article DE molecular spectra; dipole moments; atomic clusters ID ELECTRIC-DIPOLE POLARIZABILITIES; FERROMAGNETIC CLUSTERS; MAGNETIZATION AB We present a Fortran program to compute the distribution of dipole moments of free particles for use in analyzing molecular beams experiments that measure moments by deflection in an inhomogeneous field. The theory is the same for magnetic and electric dipole moments, and is based on a thermal ensemble of classical particles that are free to rotate and that have moment vectors aligned along a principal axis of rotation. The theory has two parameters, the ratio of the magnetic (or electric) dipole energy to the thermal energy, and the ratio of moments of inertia of the rotor. Program summary Program title: AdiabaticRotor Catalogue identifier: ADZO_v1_0 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/ADZO_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 479 No. of bytes in distributed program, including test data, etc.: 4853 Distribution format: tar.gz Programming language: Fortran 90 Computer: Pentium-IV, Macintosh Power PC G4 Operating system: Linux, Mac OS X RAM: 600 Kbytes Word size: 64 bits Classification: 2.3 Nature of problem: The system considered is a thermal ensemble of rotors having a magnetic or electric moment aligned along one of the principal axes. The ensemble is placed in an external field which is turned on adiabatically. The problem is to find the distribution of moments in the presence of the external field. Solution method: There are three adiabatic invariants. The only nontrivial one is the action associated with the polar angle of the rotor axis with respect to external field. It is found by Newton's method. Running time: 3 min on a 3 GHz Pentium IV processor. Published by Elsevier B.V. C1 Univ Washington, Inst Nucl Theory, Seattle, WA 98195 USA. [Ballentine, G. E.] Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. [Onishi, N.] Tokyo Int Univ, Saitama 3501197, Japan. [Yabana, K.] Univ Tsukuba, Ctr Computat Sci, Tsukuba, Ibaraki 3058571, Japan. [Yabana, K.] Univ Tsukuba, Inst Phys, Tsukuba, Ibaraki 3058571, Japan. RP Bertsch, GF (reprint author), Univ Washington, Inst Nucl Theory, Seattle, WA 98195 USA. EM bertsch@phys.washington.edu NR 9 TC 1 Z9 1 U1 1 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0010-4655 J9 COMPUT PHYS COMMUN JI Comput. Phys. Commun. PD JAN 1 PY 2008 VL 178 IS 1 BP 48 EP 51 DI 10.1016/j.cpc.2007.06.011 PG 4 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 257IS UT WOS:000252793000006 ER PT S AU Chapline, G AF Chapline, George BE Dubois, DM TI Quantum Mechanics, Pattern Recognition, and the Mammalian Brain SO COMPUTING ANTICIPATORY SYSTEMS SE AIP Conference Proceedings LA English DT Proceedings Paper CT 8th International Conference on Computing Anticipatory Systems (CASYS 07) CY AUG 06-11, 2007 CL Liege, BELGIUM SP FNRS, Univ Liege, HEC Management Sch, Euro Vier Serv SA, Hotel Ville Liege, British Comp Soc, World Org Syst & Cybernet, Syst Sci European Union, Washington Evolutionary Syst Soc DE Quantum mechanics; pattern recogniton ID NEURAL-NETWORKS AB Although the usual way of representing Markov processes is time asymmetric, there is a way of describing Markov processes, due to Schrodinger, which is time symmetric. This observation provides a link between quantum mechanics and the layered Bayesian networks that are often used in automated pattern recognition systems. In particular, there is a striking formal similarity between quantum mechanics and a particular type of Bayesian network, the Helmholtz machine, which provides a plausible model for how the mammalian brain recognizes important environmental situations. One interesting aspect of this relationship is that the "wake-sleep" algorithm for training a Helmholtz machine is very similar to the problem of finding the potential for the multi-channel Schrodinger equation. As a practical application of this insight it may be possible to use inverse scattering techniques to study the relationship between human brain wave patterns, pattern recognition, and learning. We also comment on whether there is a relationship between quantum measurements and consciousness. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Chapline, G (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94550 USA. NR 10 TC 0 Z9 0 U1 1 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0579-0 J9 AIP CONF PROC PY 2008 VL 1051 BP 15 EP 21 PG 7 WC Computer Science, Artificial Intelligence SC Computer Science GA BIQ91 UT WOS:000262094700002 ER PT J AU Neilsen, EH AF Neilsen, Eric H., Jr. TI The Sloan Digital Sky Survey - Data Archive Server SO COMPUTING IN SCIENCE & ENGINEERING LA English DT Article AB Sloan Digital Sky Survey's Data Archive Server (DAS) provides public access to data files by the SDSS data reduction pipeline. This article discusses challenges in public of data of this complexity and how the project addressed them. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Neilsen, EH (reprint author), Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. EM neilsen@fnal.gov NR 3 TC 9 Z9 10 U1 0 U2 2 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1521-9615 J9 COMPUT SCI ENG JI Comput. Sci. Eng. PD JAN-FEB PY 2008 VL 10 IS 1 BP 13 EP 17 DI 10.1109/MCSE.2008.16 PG 5 WC Computer Science, Interdisciplinary Applications SC Computer Science GA 243NO UT WOS:000251804800003 ER PT J AU Schirmacher, W Sinn, H AF Schirmacher, W. Sinn, H. TI Collective dynamics of simple liquids: A mode-coupling description SO CONDENSED MATTER PHYSICS LA English DT Article DE liquid dynamics; collective excitations in liquids; simple liquids; mode-coupling theory ID CURRENT-FLUCTUATION SPECTRA; SIMPLE CLASSICAL LIQUIDS; RELAXATION PROCESSES; SUPERCOOLED LIQUIDS; GLASS-TRANSITION; HARD SPHERES; TRIPLE POINT; METALS; TRANSPORT; EQUATION AB We use the mode-coupling theory (MCT), which has been highly successful in accounting for the anomalous relaxation behaviour near the liquid-to-glass transition, for describing the dynamics of simple (i.e. monatomic) liquids away from the glass formation regime. We find that the dynamical structure factor predicted by MCT compares well to experimental findings and results of computer simulations. The memory function exhibits a two-step decay as found frequently in experimental and simulation data. The long-time relaxation regime, in which the relaxation rate strongly depends on the density and is identified as the alpha relaxation. At high density this process leads the glass instability. The short-time relaxation rate is fairly independent of density. C1 [Schirmacher, W.; Sinn, H.] Argonne Natl Lab, Argonne, IL 60439 USA. [Schirmacher, W.] Tech Univ Munich, Phys Dept E13, D-85747 Garching, Germany. [Sinn, H.] DESY, HASYLAB, D-22607 Hamburg, Germany. RP Schirmacher, W (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 35 TC 7 Z9 7 U1 0 U2 4 PU INST CONDENSED MATTER PHYSICS NATL ACAD SCIENCES UKRAINE PI LVIV PA 1 SVIENTSITSKII STR, LVIV, 79011, UKRAINE SN 1607-324X J9 CONDENS MATTER PHYS JI Condens. Matter Phys. PY 2008 VL 11 IS 1 BP 127 EP 137 PG 11 WC Physics, Condensed Matter SC Physics GA 285RO UT WOS:000254794100012 ER PT B AU Henry, SD Rizy, DT Baldwin, TL Kueck, JD Li, FX AF Henry, Shawn D. Rizy, D. Tom Baldwin, Thomas L. Kueck, John D. Li, Fangxing GP IEEE TI The Application of Droop-Control in Distributed Energy Resources to Extend the Voltage Collapse Margin SO CONFERENCE RECORD 2008 IEEE INDUSTRIAL & COMMERCIAL POWER SYSTEMS TECHNICAL CONFERENCE LA English DT Proceedings Paper CT IEEE/IAS Industrial and Commercial Power Systems Technical Conference CY MAY 04-08, 2008 CL Clearwater Beach, FL SP IEEE, IAS DE Distributed Energy Resources; Reactive Power Control; Voltage Collapse; Voltage Stability ID SYSTEMS; MANAGEMENT AB The growth in distributed energy resources has the potential to reduce system stresses caused by transmission grid congestion by supplying power and voltage regulation closer to load centers. However, the additional voltage regulation provided by these resources can mask the onset of voltage collapse. Local voltage support flattens the slope in the upper region of the power-voltage nose curve. Coordinating voltage-regulation behavior with the droop-control scheme in distributed resources improves the observation of voltage collapse margins. Incorporating distributed resource models in the continuation power flow analysis, allows the exploration of the power transfer gains by the application of distributed resources. The analysis provides insight to the impact of droop control on the behavior of the power-voltage curve and voltage collapse. The analysis is applied to a fixed speed induction generator wind farm with separate reactive compensation and the interconnection to the local power system. Results reveal that coordinating the droop control strategy allows the distributed resource to significantly increase the voltage collapse margin without hiding the threat of voltage stability problems. C1 [Henry, Shawn D.; Baldwin, Thomas L.] Florida State Univ, Ctr Adv Power Syst, Tallahassee, FL 32310 USA. [Rizy, D. Tom; Kueck, John D.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Li, Fangxing] Univ Tennessee, Knoxville, TN USA. RP Henry, SD (reprint author), Florida State Univ, Ctr Adv Power Syst, Tallahassee, FL 32310 USA. EM henry@caps.fsu.edu RI Li, Fangxing/E-6023-2013 OI Li, Fangxing/0000-0003-1060-7618 FU Office of Electricity Delivery & Energy Reliability; U.S. Department of Energy with UT-Battelle and conducted at Oak Ridge National Laboratory [DE-AC05-00OR 22725]; Higher Education Research Experiences through the Oak Ridge Institute for Science and Educations. FX This work was sponsored by the Office of Electricity Delivery & Energy Reliability, U.S. Department of Energy under Contract No. DE-AC05-00OR 22725 with UT-Battelle and conducted at Oak Ridge National Laboratory. This work was also supported by the Higher Education Research Experiences through the Oak Ridge Institute for Science and Educations. NR 24 TC 0 Z9 0 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4244-2093-3 PY 2008 BP 74 EP + PG 2 WC Energy & Fuels; Engineering, Electrical & Electronic SC Energy & Fuels; Engineering GA BJC12 UT WOS:000264667400013 ER PT J AU Carosi, G van Bibber, K Pivovaroff, M AF Carosi, G. van Bibber, K. Pivovaroff, M. TI The search for axions SO CONTEMPORARY PHYSICS LA English DT Review DE axion; dark matter; microwave cavity; strong CP problem; Peccei-Quinn solution; ADMX; CAST; RBFT ID SOLAR AXIONS; INVISIBLE-AXION; MAGNETIC-FIELD; CP INVARIANCE; COSMIC AXIONS; DARK-MATTER; TELESCOPE; PARTICLES; PHOTON; CONVERSION AB The axion is a light pseudoscalar particle predicted to exist as a consequence of the Peccei-Quinn solution to the strong-CP problem. Its abundant production in the early Universe along with its stability and insignificant interaction cross-section make it a prime dark matter candidate. This report summarises the search for dark matter axions using resonant microwave cavities as well as searches for axions produced in the Sun and in the laboratory. All of these current experiments focus on the axion-photon interaction, as coherent axion-photon mixing in strong magnetic fields of large spatial extent can make up for the extraordinary weakness of the the coupling of axions to photons. C1 [Carosi, G.; van Bibber, K.; Pivovaroff, M.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Carosi, G (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM carosi2@llnl.gov RI Pivovaroff, Michael/M-7998-2014 OI Pivovaroff, Michael/0000-0001-6780-6816 FU US Department of Energy [DE-AC52-07NA27344] FX This work was supported in part by the US Department of Energy under Contract No. DE-AC52-07NA27344. The support of the Laboratory Directed Research and Development Program for enabling technology development is gratefully acknowledged. NR 56 TC 4 Z9 4 U1 0 U2 3 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0010-7514 J9 CONTEMP PHYS JI Contemp. Phys. PY 2008 VL 49 IS 4 BP 281 EP 297 AR PII 905062552 DI 10.1080/00107510802381343 PG 17 WC Physics, Multidisciplinary SC Physics GA 368RC UT WOS:000260639200003 ER PT J AU Umansky, MV Cohen, RH LoDestro, LL Xu, XQ AF Umansky, M. V. Cohen, R. H. LoDestro, L. L. Xu, X. Q. TI Suite of verification test problems for edge turbulence simulations SO CONTRIBUTIONS TO PLASMA PHYSICS LA English DT Article DE edge plasma; turbulence simulations AB We present a suite of test problems that are used for verification of the edge turbulence code BOUT. BOUT is an electromagnetic fluid turbulence code for tokamak edge plasma that performs time integration of reduced Braginskii plasma fluid equations, using spatial discretization in realistic geometry and employing a standard ODE integration package PVODE. Recently the code underwent a substantial redesign and extensive verification testing. In the verification process, a series of linear and nonlinear test problems was applied to BOUT targeting different subgroups of physical terms. The tests include reproducing basic electrostatic and electromagnetic plasma modes in simplified geometry, axisymmetric benchmarks against the 2D edge code UEDGE in the actual DIII-D tokamak divertor geometry. Successful passing of these tests by BOUT gives strong evidence that equations in the code are solved correctly. Although the tests were developed specifically for the BOUT code they can well be applied for verification of other codes used for simulations of edge turbulence. (c) 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. C1 [Umansky, M. V.; Cohen, R. H.; LoDestro, L. L.; Xu, X. Q.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Umansky, MV (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM umansky@llnl.gov NR 3 TC 5 Z9 5 U1 1 U2 3 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0863-1042 J9 CONTRIB PLASM PHYS JI Contrib. Plasma Phys. PY 2008 VL 48 IS 1-3 BP 27 EP 31 DI 10.1002/ctpp.200810004 PG 5 WC Physics, Fluids & Plasmas SC Physics GA 290PJ UT WOS:000255134400003 ER PT J AU Ryutov, DD Cohen, RH AF Ryutov, D. D. Cohen, R. H. TI Geometrical effects in plasma stability and dynamics of coherent structures in the divertor SO CONTRIBUTIONS TO PLASMA PHYSICS LA English DT Article DE divertor plasma; plasma stability; coherent plasma structures ID SCRAPE-OFF-LAYER; TEMPERATURE-GRADIENT INSTABILITY; ALCATOR C-MOD; CONVECTIVE-TRANSPORT; MAGNETIC-FIELD; BLOB TRANSPORT; ASDEX UPGRADE; X-POINT; EDGE; TOKAMAK AB The effects of the strong X-point magnetic shear, of the orientation of the divertor legs with respect to the major axis, and of the tilt of the divertor plates with respect to the poloidal field on plasma dynamics in the divertor region have been studied. The linear stability analysis of flute and resistive ballooning modes is presented for the X-point geometry, with emphasis on the private flux region. The dynamics of isolated plasma filaments ("blobs") passing near the X point is described. In both cases the correct accounting for the geometry turns out to be critically important. (c) 2008 WILEY-VCH Verlag G.bH & Co. KGaA, Weinheim. C1 [Ryutov, D. D.; Cohen, R. H.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Ryutov, DD (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM ryutov1@llnl.gov NR 32 TC 12 Z9 12 U1 0 U2 2 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0863-1042 J9 CONTRIB PLASM PHYS JI Contrib. Plasma Phys. PY 2008 VL 48 IS 1-3 BP 48 EP 57 DI 10.1002/ctpp.200810008 PG 10 WC Physics, Fluids & Plasmas SC Physics GA 290PJ UT WOS:000255134400007 ER PT J AU Pigarov, AY Krasheninnikov, SI LaBombard, B Rognlien, TD AF Pigarov, A. Yu. Krasheninnikov, S. I. LaBombard, B. Rognlien, T. D. TI Simulation of parallel SOL flows with UEDGE SO CONTRIBUTIONS TO PLASMA PHYSICS LA English DT Article DE tokamak; edge plasma; cross-field transport; plasma flow; multi-fluid modeling; ballooning asymmetry; drifts ID EDGE PLASMA; TOKAMAK SOL; FLUID CODE; TRANSPORT; DRIVEN AB Near-sonic parallel plasma flows in the tokamak scrape-off layer (SOL) are modeled with two-dimensional multi-fluid edge plasma transport code UEDGE. As shown, the dominant mechanism driving such flows is fast non-diffusive intermittent cross-field transport (due to blobs) which has strong ballooning-like poloidal asymmetry. The properties of asymmetric-transport-driven flows, recycling, and divertor detachment are studied. The conditions for zonal and circular flow patterns in the SOL are analyzed. The impact of plasma drifts on non-diffusive transport driven flows is modeled and discussed. (c) 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. C1 [Pigarov, A. Yu.; Krasheninnikov, S. I.] Univ Calif San Diego, MAE, La Jolla, CA 92093 USA. [LaBombard, B.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Rognlien, T. D.] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Pigarov, AY (reprint author), Univ Calif San Diego, MAE, La Jolla, CA 92093 USA. EM apigarov@ucsd.edu NR 14 TC 10 Z9 10 U1 0 U2 4 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0863-1042 J9 CONTRIB PLASM PHYS JI Contrib. Plasma Phys. PY 2008 VL 48 IS 1-3 BP 82 EP 88 DI 10.1002/ctpp.200810014 PG 7 WC Physics, Fluids & Plasmas SC Physics GA 290PJ UT WOS:000255134400013 ER PT J AU Fundamenski, W Coster, DP Airila, M Belo, P Bonnin, X Chankin, A Corrigan, G Erents, SK Garcia, OE Glowacz, S Gulejova, B Kirschner, A Naulin, V Nielsen, A Kirnev, G Kotov, V Konz, C Rasmussen, JJ Pitts, RA Reiter, D Ribeiro, T Scott, BD Strachan, JD Subba, F Tsitrone, E Tskhakaya, D Wiesen, S Wischmeier, M Zagorski, R AF Fundamenski, W. Coster, D. P. Airila, M. Belo, P. Bonnin, X. Chankin, A. Corrigan, G. Erents, S. K. Garcia, O. E. Glowacz, S. Gulejova, B. Kirschner, A. Naulin, V. Nielsen, A. Kirnev, G. Kotov, V. Konz, C. Rasmussen, J. J. Pitts, R. A. Reiter, D. Ribeiro, T. Scott, B. D. Strachan, J. D. Subba, F. Tsitrone, E. Tskhakaya, D. Wiesen, S. Wischmeier, M. Zagorski, R. CA EFDA-JET Contributors TI Progress in edge plasma transport modeling on JET SO CONTRIBUTIONS TO PLASMA PHYSICS LA English DT Article DE SOL; divertor; ELM; modelling ID AVERAGED POWER EXHAUST; SCRAPE-OFF LAYER AB Recent progress in edge plasma modeling on the JET tokamak is briefly, and somewhat selectively, reviewed. This ongoing modeling activity is aimed at developing a predictive capability for ITER based on numerical models verified and validated upon JET experimental data. Topics include both steady-state and transient particle and power exhaust, the effect of edge/SOL turbulence and edge localized modes, and first wall material migration. (C) 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. C1 [Fundamenski, W.; Corrigan, G.; Erents, S. K.] UKAEA Euratom Fus Assoc, Culham Sci Ctr, Abingdon OX14 3DB, Oxon, England. [Coster, D. P.; Chankin, A.; Konz, C.; Scott, B. D.; Wischmeier, M.] EURATOM, Max Planck Inst Plasmaphys, D-85748 Garching, Germany. [Airila, M.] Helsinki Univ Technol, Assoc Euratom Tekes, FIN-02015 Helsinki, Finland. [Belo, P.] Assoc EURATOM IST, Ctr Fuso Nucl, Inst Super Tecn, P-1049001 Lisbon, Portugal. [Bonnin, X.] Univ Paris 13, CNRS LIMHP, UPR 1311, F-93430 Villetaneuse, France. [Garcia, O. E.; Naulin, V.; Nielsen, A.; Rasmussen, J. J.] EURATOM, Riso Natl Lab, Opt & Plasma Res Dept, DK-4000 Roskilde, Denmark. [Kirschner, A.; Kotov, V.; Reiter, D.; Wiesen, S.] EURATOM, Forschungszentrum Julich GmbH, Inst Plasmaphys, D-52425 Julich, Germany. [Pitts, R. A.] Ecole Polytech Fed Lausanne, Assoc Euratom Confederat Suisse, CRPP, CH-1015 Lausanne, Switzerland. [Gulejova, B.; Strachan, J. D.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Subba, F.] Politecn Torino, Dipartimento Energet, I-10129 Turin, Italy. [Tsitrone, E.] CEA Cadarache, Assoc EURATOM CEA, DSM DRFC, F-13108 St Paul Les Durance, France. [Tskhakaya, D.] Univ Innsbruck, Inst Theoret Phys, Assoc Euratom OAW, A-6020 Innsbruck, Austria. [Glowacz, S.; Zagorski, R.] Assoc Euratom IPPLM Hery, PL-01497 Warsaw, Poland. [Kirnev, G.] RRC Kurchatov Inst, Moscow 123182, Russia. RP Fundamenski, W (reprint author), UKAEA Euratom Fus Assoc, Culham Sci Ctr, Abingdon OX14 3DB, Oxon, England. EM Wojtek.fundamenski@jet.uk RI Airila, Markus/F-6369-2011; Naulin , Volker/A-2419-2012; Rasmussen, Jens Juul/A-2757-2012; Garcia, Odd Erik/A-4417-2013; Coster, David/B-4311-2010; Ribeiro, Tiago/J-7404-2013; Nielsen, Anders/A-3973-2012; OI Bonnin, Xavier/0000-0002-6743-1062; Naulin , Volker/0000-0001-5452-9215; Rasmussen, Jens Juul/0000-0002-3543-690X; Garcia, Odd Erik/0000-0002-2377-8718; Coster, David/0000-0002-2470-9706; Nielsen, Anders/0000-0003-3642-3905; Belo, Paula/0000-0001-5047-4392 NR 9 TC 1 Z9 1 U1 2 U2 7 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0863-1042 J9 CONTRIB PLASM PHYS JI Contrib. Plasma Phys. PY 2008 VL 48 IS 1-3 BP 190 EP 195 DI 10.1002/ctpp.200810034 PG 6 WC Physics, Fluids & Plasmas SC Physics GA 290PJ UT WOS:000255134400033 ER PT J AU Cohen, RH Xu, XQ AF Cohen, R. H. Xu, X. Q. TI Progress in kinetic simulation of edge plasmas SO CONTRIBUTIONS TO PLASMA PHYSICS LA English DT Article DE edge; plasma; simulation; kinetic; gyrokinetic ID TEMPERATURE-GRADIENT TURBULENCE; PARTICLE SIMULATION; GYROKINETIC EQUATIONS; TOKAMAK PLASMA; TRANSPORT; FLOW; LAYER AB Kinetic codes are required for quantitative simulation of edge plasmas of most tokamaks, because orbit widths can be comparable to radial scale lengths and because mean free paths can be comparable to scale lengths along the magnetic field. However, the edge presents special challenges for edge simulation, both in terms of formulation and implementation. There are two major approaches to kinetic simulation, namely particle-based and continuum- (high-dimensional fluid-) based. The edge presents challenges common to both approaches as well as ones that are unique to each approach. In this paper we review these challenges, and survey how they are being addressed in current edge kinetic simulation projects, as well as the status and accomplishments of those projects. We discuss in some detail the status and recent accomplishments of the U.S. Edge Simulation Laboratory (ESL), a project based on the continuum approach. The ESL currently consists of a main-line effort to develop a code based on high-order conservative finite-volume discretization, as well as two prototype activities, TEMPEST and EGK. These prototype codes are exploring issues attached to energy-magnetic moment and parallel velocity-magnetic moment representations, respectively, as well as physics issues associated with simulation in a steep radial gradient region and a domain that includes both open field lines and closed flux surfaces. (C) 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. C1 [Cohen, R. H.; Xu, X. Q.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Cohen, RH (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM rcohen@llnl.gov NR 39 TC 17 Z9 17 U1 0 U2 0 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0863-1042 J9 CONTRIB PLASM PHYS JI Contrib. Plasma Phys. PY 2008 VL 48 IS 1-3 BP 212 EP 223 DI 10.1002/ctpp.200810038 PG 12 WC Physics, Fluids & Plasmas SC Physics GA 290PJ UT WOS:000255134400037 ER PT J AU Hollmann, EM Parks, PB Scott, HA AF Hollmann, E. M. Parks, P. B. Scott, H. A. TI 0-D modeling of fast radiative shutdown of tokamak discharges following massive gas injection SO CONTRIBUTIONS TO PLASMA PHYSICS LA English DT Article DE tokamak; disruption; simulation ID DISRUPTION MITIGATION; PLASMA; CONDUCTIVITY AB 0-D modeling of fast radiative shutdowns of tokamak discharges following massive gas injection is presented. Realistic neutral deposition rates are used together with a 1-D diffusive model to estimate impurity deposition into the plasma. Non-coronal radiation rates including opacity are used, as are induced wall currents, wall impurity radiation, and neutral and neoclassical corrections to plasma resistivity. The 0-D modeling is found to reproduce the shutdown timescale and free electron density rise seen in DIII-D argon injection experiments well. Opacity, wall currents, and wall impurities can all have a significant (>10%) impact on simulated timescales. (C) 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. C1 [Hollmann, E. M.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Parks, P. B.] Gen Atom Co, San Diego, CA 92186 USA. [Scott, H. A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Hollmann, EM (reprint author), Univ Calif San Diego, La Jolla, CA 92093 USA. EM ehollmann@ucsd.edu NR 12 TC 8 Z9 8 U1 0 U2 1 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0863-1042 J9 CONTRIB PLASM PHYS JI Contrib. Plasma Phys. PY 2008 VL 48 IS 1-3 BP 260 EP 264 DI 10.1002/ctpp.200810045 PG 5 WC Physics, Fluids & Plasmas SC Physics GA 290PJ UT WOS:000255134400044 ER PT J AU Varentsov, D Fertman, AD Turtikov, VI Ulrich, A Wieser, J Fortov, VE Golubev, AA Hoffmann, DHH Hug, A Kulish, M Mintsev, V Ni, PA Nikolaev, D Sharkov, BY Shilkin, N Ternovoi, VY Udrea, S AF Varentsov, D. Fertman, A. D. Turtikov, V. I. Ulrich, A. Wieser, J. Fortov, V. E. Golubev, A. A. Hoffmann, D. H. H. Hug, A. Kulish, M. Mintsev, V. Ni, P. A. Nikolaev, D. Sharkov, B. Yu Shilkin, N. Ternovoi, V. Ya Udrea, S. TI Transverse Optical Diagnostics for Intense Focused Heavy Ion Beams SO CONTRIBUTIONS TO PLASMA PHYSICS LA English DT Article DE Electron and ion optics; beam optics; charged-particle beams; beams in accelerators; intense particle beams and radiation sources ID ENERGY-DENSITY PHYSICS; EQUATION-OF-STATE; ELECTRICAL-RESISTIVITY; CROSS-SECTION; LOSS DYNAMICS; MATTER; EXCITATION; EMISSION; NEON; GSI AB Beam-induced fluorescence of dense gas targets has been studied for its application to measure the transverse intensity distribution of energetic focused heavy ion beams. Mechanisms of light emission are discussed on the basis of measured wavelength- and time-resolved light emission of argon. Gas pressures from 10 mbar up to 1 bar have been used. Transverse beam intensity profiles of 200 - 400 AMeV U-238 pulses from the heavy ion synchrotron SIS-18 at the Gesellschaft fur Schwerionenforschung, Darmstadt, Germany with up to 5 . 10(9) particles per pulse focused to a sub- millimeter spot have been recorded with argon and helium as target gases. Beam profiles recorded at the ArII lines by an optical filter resulted in the narrowest, most realistic beam diameters. C1 [Varentsov, D.; Hug, A.] Gesell Schwerionenforsch mbH, D-64291 Darmstadt, Germany. [Fertman, A. D.; Turtikov, V. I.; Golubev, A. A.; Sharkov, B. Yu] Inst Theoret & Expt Phys, Moscow 117218, Russia. [Ulrich, A.] Tech Univ Munich, Phys Dept E12, D-85748 Garching, Germany. [Wieser, J.] Coherent GmbH, D-81379 Munich, Germany. [Fortov, V. E.; Ni, P. A.; Nikolaev, D.; Shilkin, N.; Ternovoi, V. Ya] Tech Univ Darmstadt, Inst Kernphys, D-64289 Darmstadt, Germany. [Hoffmann, D. H. H.; Udrea, S.] Russian Acad Sci, Inst Problems Chem Phys, Chernogolovka 142432, Russia. [Ni, P. A.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Varentsov, D (reprint author), Gesell Schwerionenforsch mbH, Planckstr 1, D-64291 Darmstadt, Germany. EM d.varentsov@gsi.de RI Hoffmann, Dieter H.H./A-5265-2008; Shilkin, Nikolay/B-1429-2013; Mintsev, Victor/L-2029-2013 OI Shilkin, Nikolay/0000-0001-9591-7599; FU GSI-INTAS [03-54-4254, 06-1000012-8707] FX This work has been supported in part by GSI-INTAS grants 03-54-4254 and 06-1000012-8707. NR 34 TC 5 Z9 5 U1 1 U2 9 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0863-1042 J9 CONTRIB PLASM PHYS JI Contrib. Plasma Phys. PY 2008 VL 48 IS 8 BP 586 EP 594 DI 10.1002/ctpp.200810092 PG 9 WC Physics, Fluids & Plasmas SC Physics GA 369ZL UT WOS:000260732300006 ER PT S AU Mauche, CW Liedahl, DA Akiyama, S Plewa, T AF Mauche, Christopher W. Liedahl, Duane A. Akiyama, Shizuka Plewa, Tornasz BE Axelsson, M TI The Physics of Wind-Fed Accretion SO COOL DISCS, HOT FLOWS: THE VARYING FACES OF ACCRETING COMPACT OBJECTS SE AIP Conference Proceedings LA English DT Proceedings Paper CT Conference on Cool Discs, Hot Flows CY MAR 25-30, 2008 CL Funasdalen, SWEDEN SP Wenner Gren Fdn, Swedish Res Council, Stockholm Univ DE hydrodynamics; mass loss and stellar winds; radiative transfer; X-ray binaries; X-ray spectra ID X-RAY BINARIES; VELA X-1; STELLAR WIND; EMISSION; SPECTRUM; ECLIPSE; SYSTEMS; LINES; DISKS; CODE AB We provide a brief review of the physical processes behind the radiative driving of the winds of OB stars and the Bondi-Hoyle-Lyttleton capture and accretion of a fraction of the stellar wind by a compact object. typically a neutron star, in detached hi.-h-mass X-ray binaries (HMXBs). In addition. we describe a program to develop global models of the radiatively-driven photoionized winds and accretion flows of HMXBs, with particular attention to the prototypical system Vela X-1. The models combine XSTAR photoionization calculations, HULLAC emission models appropriate to X-ray photoionized plasmas, improved models of the radiative driving of photoionized winds, FLASH time-dependent adaptive-mesh hydrodynamics calculations, and Monte Carlo radiation transport. We present two- and three-dimensional maps of the density, temperature, velocity, ionization parameter, and emissivity distributions of representative X-ray emission lines, as well as synthetic global Monte Carlo X-ray spectra. Such models help to better constrain the properties of the winds of HMXBs, which bear on such fundamental questions as the long-term evolution of these binaries and the chemical enrichment of the interstellar medium.(1) C1 [Mauche, Christopher W.; Liedahl, Duane A.] Lawrence Livermore Natl Lab, L-473,7000 East Ave, Livermore, CA 94550 USA. [Akiyama, Shizuka] Stanford Univ, KIPAC, Menlo Pk, CA 94025 USA. [Plewa, Tornasz] Florida State Univ, Dept Comp Sci, Tallahassee, FL 32306 USA. RP Mauche, CW (reprint author), Lawrence Livermore Natl Lab, L-473,7000 East Ave, Livermore, CA 94550 USA. RI Plewa, Tomasz/C-1470-2010 OI Plewa, Tomasz/0000-0002-1762-2565 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Laboratory Directed Research and Development Program at LLNL [05-ERD-044]; National Aeronautics and Space Administration [NN07AF9II]; U.S. Department of Energy [B523820] 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 for this work was provided by the Laboratory Directed Research and Development Program at LLNL under project tracking code 05-ERD-044 and by the National Aeronautics and Space Administration under Agreement No. NN07AF9II issued through the Astrophysics Theory Program. T. Plewa's contribution to this work was supported in part by the U.S. Department of Energy under Grant No. B523820 to the Center for Astrophysical Thermonuclear Flashes at the University of Chicago. The FLASH software used in this work was developed in part by the DOE-supported ASC/AUiance Center for Astrophysical Thermonuclear Flashes at the University of Chicago. NR 23 TC 7 Z9 7 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 978-0-7354-0584-4 J9 AIP CONF PROC PY 2008 VL 1054 BP 3 EP + PG 3 WC Astronomy & Astrophysics; Physics, Applied SC Astronomy & Astrophysics; Physics GA BIL28 UT WOS:000260484300001 ER PT J AU Ueno, S Ohji, T Lin, HT AF Ueno, Shunkichi Ohji, Tatsuki Lin, Hua-Tay TI Recession behavior of Yb2Si2O7 phase under high speed steam jet at high temperatures SO CORROSION SCIENCE LA English DT Article DE ceramics; SEM; XRD; atmospheric corrosion ID SILICON-NITRIDE; WATER-VAPOR; GAS-TURBINE; COMPONENTS; OXIDATION; CORROSION; CERAMICS; EXPOSURE AB Recession behavior of Yb2Si2O7 phase was examined under high speed steam jet environment between 1300 degrees C and 1500 degrees C. Yb2SiO5 phase was formed on the bulk surface by the decomposition of Yb2Si2O7 phase and the elimination of silica component at elevated temperatures. The phase ratio of Yb2SiO5/Yb2Si2O7 increased up to 1400 degrees C and then decreased above 1400 degrees C. The relative intensity of 220 peak for Yb2Si2O7 phase increased with increasing the temperatures. Fine grains were generated on the bulk surface at 1300 degrees C. The phase decomposition caused on the grain interior. A porous structure was formed on the bulk surface during the test at 1400 degrees C. Surface cracks were generated for 1400 degrees C test sample. A smooth surface was generated on the surface of 1500 degrees C test sample. The triple points of the grains were bridged with a glassy phase. (c) 2007 Published by Elsevier Ltd. C1 [Ueno, Shunkichi] Osaka Univ, Inst Sci & Ind Res, Osaka 5670047, Japan. [Ohji, Tatsuki] Natl Inst Adv Sci & Technol, Adv Mfg Res Inst, Moriyama Ku, Nagoya, Aichi, Japan. [Lin, Hua-Tay] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Ueno, S (reprint author), Osaka Univ, Inst Sci & Ind Res, 8-1 Mihogaoka, Osaka 5670047, Japan. EM ueno23@sanken.osaka-u.ac.jp NR 14 TC 17 Z9 19 U1 6 U2 31 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0010-938X J9 CORROS SCI JI Corrosion Sci. PD JAN PY 2008 VL 50 IS 1 BP 178 EP 182 DI 10.1016/j.corsci.2007.06.014 PG 5 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 261PS UT WOS:000253093100020 ER PT S AU Boyer, W McQueen, M AF Boyer, Wayne McQueen, Miles BE Lopez, J Hammerli, BM TI Ideal Based Cyber Security Technical Metrics for Control Systems SO CRITICAL INFORMATION INFRASTRUCTURES SECURITY SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 2nd International Workshop on Critical Information Infrastructures Security CY OCT 03-05, 2007 CL Univ Malaga, Comp Sci Dept, Malaga, SPAIN HO Univ Malaga, Comp Sci Dept DE Cyber Security Metrics; Control System Security AB Much of the world's critical infrastructure is at risk from attack through electronic networks connected to control systems. Security metrics are important because they provide the basis for management decisions that affect the protection of the infrastructure. A cyber security technical metric is the security relevant output from an explicit mathematical model that makes use of objective measurements of a technical object. A specific set of technical security metrics are proposed for use by the operators of control systems. Our proposed metrics are based on seven security ideals associated with seven corresponding abstract dimensions of security. We have defined at least one metric for each of the seven ideals. Each metric is a measure of how nearly the associated ideal has been achieved. These seven ideals provide a useful structure for further metrics development. A case study shows how the proposed metrics can be applied to an operational control system. C1 [Boyer, Wayne; McQueen, Miles] Idaho Natl Lab, Idaho Falls, ID 83404 USA. RP Boyer, W (reprint author), Idaho Natl Lab, 2525 Fremont Ave, Idaho Falls, ID 83404 USA. EM wayne.boyer@inl.gov; miles.mcqueen@inl.gov NR 17 TC 7 Z9 7 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-540-89095-9 J9 LECT NOTES COMPUT SC PY 2008 VL 5141 BP 246 EP 260 PG 15 WC Computer Science, Hardware & Architecture; Computer Science, Information Systems; Computer Science, Theory & Methods SC Computer Science GA BIR19 UT WOS:000262126100021 ER PT S AU Cassidy, RF Chavez, A Trent, J Urrea, J AF Cassidy, Regis Friend Chavez, Adrian Trent, Jason Urrea, Jorge BE Goetz, E Shenoi, S TI Remote forensic analysis of process control systems SO CRITICAL INFRASTRUCTURE PROTE CTION SE International Federation for Information Processing LA English DT Proceedings Paper CT 1st Annual IFIP International Conference on Critical Infrastructure Protection CY MAR 19-21, 2007 CL Dartmouth Coll, Hanover, NH SP IFIP WG 11 10 HO Dartmouth Coll DE process control systems; digital forensics; live forensics; EnCase AB Forensic analysis can help maintain the security of process control systems: identifying the root cause of a system compromise or failure is useful for mitigating current and future threats. However, forensic analysis of control systems is complicated by three factors. First, live analysis must riot impact the performance and functionality of a control system. Second, the analysis should be performed remotely as control systems are typically positioned in widely dispersed locations. Third, forensic techniques and tools must accommodate proprietary or specialized control system hardware, software, applications and protocols. This paper explores the use of a popular digital forensic tool, EnCase Enterprise, for conducting remote forensic examinations of process control systems. Test results in a laboratory-scale environment demonstrate the feasibility of conducting remote forensic analyses on live control systems. C1 [Cassidy, Regis Friend] Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. RP Cassidy, RF (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 4 TC 4 Z9 4 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 1571-5736 BN 978-0-387-75461-1 J9 INT FED INFO PROC PY 2008 VL 253 BP 223 EP + PG 2 WC Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA BHC63 UT WOS:000252198100016 ER PT J AU Conaghan, P Casler, MD O'Kiely, P Dowley, LJ AF Conaghan, Patrick Casler, Michael D. O'Kiely, Padraig Dowley, Leslie J. TI Efficiency of indirect selection for dry matter yield based on fresh matter yield in perennial ryegrass sward plots SO CROP SCIENCE LA English DT Article ID COCKSFOOT DACTYLIS-GLOMERATA; FESCUE FESTUCA-PRATENSIS; LOLIUM-PERENNE; CULTIVAR TRIALS; VARIABILITY; DIGESTIBILITY; AGRICULTURE; INHERITANCE; VARIETIES; DESIGN AB Forage dry matter yield (DMY) is a high-priority trait in breeding perennial ryegrass (Lolium perenne L.). However, determining dry matter concentration is highly labor intensive. For a similar level of resources, indirect selection based on fresh matter yield (FMY) would allow a greater number of replicates, genotypes, or both to be evaluated. Our objective was to estimate the efficiency of indirect selection for DMY based on FMY of pure perennial ryegrass sward plots. Over a 14-yr period, replicated trials, containing perennial ryegrass genotypes of similar ploidy and maturity category, were sown in Ireland and assessed for DMY and FMY at each harvest over two consecutive years. Forage was generally surface dry when harvested. The estimated efficiency of indirect selection based on two replicates and comparable selection intensity was high ( >= 0.80). Simulation models indicated that resources would be used more efficiently by evaluating more genotypes than by increasing the number of replicates. For example, doubling the number of plots to increase the number of replicates from two to four indicated an increase in the efficiency of indirect selection from a mean 0.88 to 0.94. However, doubling the number of plots and including more genotypes, facilitating greater selection intensity, indicated an increase in the efficiency of indirect selection from a mean 0.88 to 1.04. This study indicates that FMY can be used successfully as an indirect selection method of increasing DMY in perennial ryegrass swards. C1 [Conaghan, Patrick; Dowley, Leslie J.] TEAGASC, Carlow, Ireland. [Casler, Michael D.] USDA ARS, US Dairy Forage Res Ctr, Madison, WI 53706 USA. [O'Kiely, Padraig] TEAGASC, Grange Beef Res Ctr, Dunsany, Meath, Ireland. RP Conaghan, P (reprint author), TEAGASC, Oak Pk Res Ctr, Carlow, Ireland. EM patrick.conaghan@teagasc.ie NR 25 TC 6 Z9 6 U1 0 U2 3 PU CROP SCIENCE SOC AMER PI MADISON PA 677 S SEGOE ROAD, MADISON, WI 53711 USA SN 0011-183X J9 CROP SCI JI Crop Sci. PD JAN-FEB PY 2008 VL 48 IS 1 BP 127 EP 133 DI 10.2135/cropsci2007.05.0274 PG 7 WC Agronomy SC Agriculture GA 259WK UT WOS:000252971400015 ER PT S AU Ackenriann, MR McGraw, JT Zimmer, PC AF Ackenriann, Mark R. McGraw, John T. Zimmer, Peter C. BE Mouroulis, PZ Smith, WJ Jonhson, RB TI Five lens corrector for Cassegrain-form telescopes. SO CURRENT DEVELOPMENTS IN LENS DESIGN AND OPTICAL ENGINEERING IX SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Current Developments in Lens Design and Optical Engineering IX CY AUG 11-12, 2008 CL San Diego, CA SP SPIE DE Survey telescope; wide-field corrector; Cassegrain; Ritchey-Chretien AB Refractive elements are commonly used on Cassegrain-form telescopes to correct off-axis aberrations and both widen and flatten the field. Early correctors used two lenses with spherical surfaces, but their performance was somewhat limited. More recent correctors have three or four lenses with some including at least one aspheric surface. These systems produce high resolution images over relatively wide fields but often require the corrector and mirrors to be optimized together. Here we present a new corrector design using five spherical lenses. This approach produces high image quality with low distortion over wide fields and has sufficient degrees of freedom to allow corrector to be optimized independent of the mirrors if necessary. C1 [Ackenriann, Mark R.] Sandia Natl Labs, Livermore, CA 94550 USA. RP Ackenriann, MR (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 17 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 978-0-8194-7280-9 J9 PROC SPIE PY 2008 VL 7060 AR 70600D DI 10.1117/12.792089 PG 13 WC Optics SC Optics GA BIQ84 UT WOS:000262081400009 ER PT S AU Love, AH AF Love, Adam H. BE Hudnell, HK TI Chapter 18: Determining important parameters related to cyanobacterial alkaloid toxin exposure SO CYANOBACTERIAL HARMFUL ALGAL BLOOMS: STATE OF THE SCIENCE AND RESEARCH NEEDS SE ADVANCES IN EXPERIMENTAL MEDICINE AND BIOLOGY LA English DT Article; Proceedings Paper CT International Symposium on Cyanobacterial Algal Blooms - State of the Science and Research Needs CY SEP 06-10, 2005 CL Research Triangle Park, NC ID ANATOXIN-A; STABILITY; WATER C1 Lawrence Livermore Natl Lab, Forens Sci Ctr, Livermore, CA 94550 USA. RP Love, AH (reprint author), Lawrence Livermore Natl Lab, Forens Sci Ctr, POB 508,L-178, Livermore, CA 94550 USA. NR 8 TC 0 Z9 0 U1 0 U2 2 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0065-2598 BN 978-0-387-75864-0 J9 ADV EXP MED BIOL JI Adv.Exp.Med.Biol. PY 2008 VL 619 BP 453 EP 463 PG 11 WC Biology; Medicine, Research & Experimental SC Life Sciences & Biomedicine - Other Topics; Research & Experimental Medicine GA BHO77 UT WOS:000254893200037 PM 18461778 ER PT J AU Miras, HN Long, DL Kogerler, P Cronin, L AF Miras, Haralampos N. Long, De-Liang Kogerler, Paul Cronin, Leroy TI Bridging the gap between solution and solid state studies in polyoxometalate chemistry: Discovery of a family of [V1M17]-based cages encapsulating two {(VO4)-O-V} moieties SO DALTON TRANSACTIONS LA English DT Article ID DOT-S INTERACTIONS; BUILDING-BLOCKS; SUBSTITUTED HETEROPOLYANIONS; DAWSON ANIONS; ONE-ELECTRON; CLUSTERS; OXIDATION; REDUCTION; SYMMETRY; ISOMER AB A family of polyoxometalates with the composition [H2V3M17O62](6-) features a Dawson-like architecture containing two tetrahedral {(VO4)-O-V} templates rather than main group hetero-anions ({PO4} or {SO4} etc.) typically associated with classical heteropolyacids, situated within a mixed-metal {(M17VO54)-V-VI-O-IV} cage and these clusters were first discovered using mass spectrometry. C1 [Miras, Haralampos N.; Long, De-Liang; Cronin, Leroy] Univ Glasgow, Dept Chem, Glasgow G12 8QQ, Lanark, Scotland. [Kogerler, Paul] Iowa State Univ, Dept Phys & Astron, Ames Lab, Ames, IA 50011 USA. RP Cronin, L (reprint author), Univ Glasgow, Dept Chem, Univ Ave, Glasgow G12 8QQ, Lanark, Scotland. EM lee@chem.gla.ac.uk RI Cronin, Leroy/B-7752-2008; Miras, Haralampos/C-1691-2008; Long, Deliang/C-3500-2011; Miras, Haralampos/C-6345-2014; Kogerler, Paul/H-5866-2013 OI Cronin, Leroy/0000-0001-8035-5757; Miras, Haralampos/0000-0002-0086-5173; Miras, Haralampos/0000-0002-0086-5173; Kogerler, Paul/0000-0001-7831-3953 NR 60 TC 36 Z9 36 U1 2 U2 11 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2008 IS 2 BP 214 EP 221 DI 10.1039/b714285d PG 8 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 243BS UT WOS:000251770500006 PM 18097488 ER PT J AU Christensen, AN Jensen, TR Lebech, B Hanson, JC Jakobsen, HJ Skibsted, J AF Christensen, Axel Norlund Jensen, Torben R. Lebech, Bente Hanson, Jonathan C. Jakobsen, Hans J. Skibsted, Jorgen TI Thermal decomposition of monocalcium aluminate decahydrate (CaAl2O4 center dot 10H(2)O) investigated by in-situ synchrotron X-ray powder diffraction, thermal analysis and Al-27, H-2 MAS NMR spectroscopy SO DALTON TRANSACTIONS LA English DT Article ID CRYSTAL-STRUCTURE; CALCIUM; CEMENT; OXIDE AB The stability of monocalcium aluminate decahydrate, with the nominal composition CaAl2O4 center dot 10H(2)O (CAH(10)), has a decisive role for the strength development and durability of cementitious materials based on high alumina cements. This has prompted an investigation of the thermal transformation of crystalline monocalcium aluminate decahydrate in air to an amorphous phase by in-situ synchrotron X-ray powder diffraction in the temperature range from 25 to 500 degrees C, by DTA/TGA, and H-2, Al-27 MAS NMR spectroscopy. The decomposition includes the loss of hydrogen-bonded water molecules in the temperature range up to 175 degrees C, coupled with a reduction of the unit cell volume from 1928 angstrom(3) at 25 degrees C, to 1674 angstrom(3) at 185 degrees C. Furthermore, X-ray diffraction shows that CaAl2O4 center dot 10H(2)O starts to transform to an amorphous phase at similar to 65 degrees C. This phase is fully developed at similar to 175 degrees C and it converts to crystalline CaAl2O4 when heated to 1300 degrees C. The thermal decomposition in the temperature range from similar to 65 to similar to 175 degrees C involves both formation of an amorphous phase including AlO4 tetrahedra and structural changes in the remaining crystalline phase. C1 [Jensen, Torben R.] Univ Aarhus, Dept Chem, iNANO, Interdisciplinary Nanosci Ctr, DK-8000 Aarhus C, Denmark. [Christensen, Axel Norlund] Crystal Chem, DK-8210 Aarhus, Denmark. [Lebech, Bente] Univ Copenhagen, Niels Bohr Inst, DK-2100 Copenhagen, Denmark. [Hanson, Jonathan C.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Jakobsen, Hans J.; Skibsted, Jorgen] Univ Aarhus, Dept Chem, iNANO, Instrument Ctr Solid State NMR Spect, DK-8000 Aarhus C, Denmark. RP Jensen, TR (reprint author), Univ Aarhus, Dept Chem, iNANO, Interdisciplinary Nanosci Ctr, Langelandsgade 140, DK-8000 Aarhus C, Denmark. EM trj@chem.au.dk RI Hanson, jonathan/E-3517-2010; Lebech, Bente/A-9629-2016 OI Lebech, Bente/0000-0002-6403-4141 NR 17 TC 2 Z9 2 U1 0 U2 15 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2008 IS 4 BP 455 EP 462 DI 10.1039/b712684k PG 8 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 249UC UT WOS:000252254300007 PM 18185861 ER PT J AU Chandrasekhar, V Azhakar, R Senapati, T Thilagar, P Ghosh, S Verma, S Boomishankar, R Steiner, A Kogerler, PK AF Chandrasekhar, Vadapalli Azhakar, Ramachandran Senapati, Tapas Thilagar, Pakkirisamy Ghosh, Surajit Verma, Sandeep Boomishankar, Ramamoorthy Steiner, Alexander Kogerler, Paul K. TI Synthesis, structure, magnetism and nuclease activity of tetranuclear copper(II) phosphonates containing ancillary 2,2 '-bipyridine or 1,10-phenanthroline ligands SO DALTON TRANSACTIONS LA English DT Article ID METAL PHOSPHONATE; PYRAZOLE LIGANDS; ASYMMETRIC HYDROGENATION; ADSORPTION PROPERTIES; COORDINATION POLYMER; CADMIUM PHOSPHONATE; CRYSTAL-STRUCTURE; AROMATIC KETONES; CU(II) COMPLEXES; VISIBLE-LIGHT AB The reaction of cyclohexylphosphonic acid (C6H11PO3H2), anhydrous CuCl2 and 2,2'-bipyridine (bpy) in the presence of triethylamine followed by a metathesis reaction with KNO3 afforded [Cu-4(mu-Cl)(2)(mu(3)-C6H11PO3)(2)(bpy)(4)](NO3)(2) (1). In an analogous reaction involving Cu(OAc)(2)center dot H2O, the complex [Cu-4(mu-CH3COO)(2)(mu(3)-C6H11PO3)(2)(2,2'-bpy)(4)](CH3COO)(2) (2) has been isolated. The three-component reaction involving Cu(NO3)(2)center dot 3H(2)O, cyclohexylphosphonic acid and 2,2'-bipyridine in the presence of triethylamine afforded the tetranuclear assembly [Cu-4(mu-OH)(mu(3)-C6H11PO3)(2)(2,2'-bpy)(4) (H2O)(2)](NO3)(3) (3). Replacing 2,2'-bipyridine with 1,10-phenanthroline (phen) in the above reaction resulted in [Cu-4(mu-OH)(mu(3)-C6H11PO3)(2)(phen)(4)(H2O)(2)](NO3)(3) (4). In all the copper(II) phosphonates (1-4) the two phosphonate ions bridge the four copper( II) ions in a capping coordination action. Each phosphonate ion bridges four copper(II) ions in a mu(4), eta(3) coordination mode or 4.211 of the Harris notation. Variable-temperature magnetic studies on 1-4 reveal that all four complexes exhibit moderately strong intramolecular antiferromagnetic coupling. The DNA cleavage activity of complexes 1-4 is also described. Compounds 1 and 3 were able to completely convert the supercoiled pBR322 DNA form I to nick form II without any co-oxidant. In contrast, 50% conversion occurred with 2 and 40% with 4. In the presence of magnesium monoperoxyphthalate all four compounds achieved rapid conversion of form I to form II. C1 [Azhakar, Ramachandran; Senapati, Tapas; Thilagar, Pakkirisamy; Ghosh, Surajit; Verma, Sandeep] Indian Inst Technol, Dept Chem, Kanpur 208016, Uttar Pradesh, India. [Boomishankar, Ramamoorthy; Steiner, Alexander] Univ Liverpool, Dept Chem, Liverpool L69 7ZD, Merseyside, England. [Kogerler, Paul K.] Iowa State Univ Sci & Technol, Ames Lab, Ames, IA 50011 USA. [Kogerler, Paul K.] Iowa State Univ Sci & Technol, Dept Phys & Astron, Ames, IA 50011 USA. RP Chandrasekhar, V (reprint author), Indian Inst Technol, Dept Chem, Kanpur 208016, Uttar Pradesh, India. EM vc@iitk.ac.in RI Kogerler, Paul/H-5866-2013 OI Kogerler, Paul/0000-0001-7831-3953 NR 68 TC 53 Z9 53 U1 2 U2 13 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2008 IS 9 BP 1150 EP 1160 DI 10.1039/b712876b PG 11 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 267EJ UT WOS:000253492000007 PM 18283376 ER PT J AU Lu, ZL Costa, JS Roubeau, O Mutikainen, I Turpeinen, U Teat, SJ Gamez, P Reedijk, J AF Lu, Zhengliang Costa, Jose Sanchez Roubeau, Olivier Mutikainen, Ilpo Turpeinen, Urho Teat, Simon J. Gamez, Patrick Reedijk, Jan TI A copper complex bearing a TEMPO moiety as catalyst for the aerobic oxidation of primary alcohols SO DALTON TRANSACTIONS LA English DT Article ID FLUOROUS BIPHASIC CATALYSIS; SELECTIVE OXIDATION; MILD CONDITIONS; STOICHIOMETRIC OXIDANT; CARBONYL-COMPOUNDS; CRYSTAL-STRUCTURES; ORGANIC-CHEMICALS; NITROXYL RADICALS; PI INTERACTIONS; DONOR LIGANDS AB A new bifunctional, triazine-based ligand has been designed with the aim to generate a copper(II) complex holding a TEMPO (2,2,6,6-tetramethylpiperidinyloxy) moiety. The coordination compound obtained from the ligand 4-(2-(3-(pyridin-2-yl)-1H-pyrazol-1-yl)ethoxy)-6-(4-amino- 2,2,6,6-tetramethylpiperidine-1-oxyl)-N,N-diphenyl-1,3,5-triazin-2-amine (pypzt-1) and copper(II) bromide (i.e. complex 8) is capable of catalysing the selective, aerobic oxidation of benzyl alcohol to 84% of benzaldehyde in 24 h. This "galactose oxidase activity" of the copper/TEMPO complex is observed as well for the conversion of the non-activated alkyl alcohol octan-1-ol to octanal with a yield of 29% after the same reaction time. The single-crystal X-ray structure of 8 shows that its crystal lattice contains [(CuBr2)-Br-1](-) anions which appear to be stabilised by means of both anion-pi and hydrogen bonding interactions. In addition, the solid state structure of 8 exhibits (lone-pair)-pi interactions between the nitrogen atom of an acetonitrile molecule and a triazine ring. The magnetic properties of 8 have been investigated by EPR and magnetic susceptibility measurements. C1 [Lu, Zhengliang; Costa, Jose Sanchez; Gamez, Patrick; Reedijk, Jan] Leiden Univ, Leiden Inst Chem, NL-2300 RA Leiden, Netherlands. [Roubeau, Olivier] Univ Bordeaux 1, Ctr Rech Paul Pascal, CNRS, F-33600 Pessac, France. [Mutikainen, Ilpo; Turpeinen, Urho] Univ Helsinki, Dept Chem, Inorgan Chem Lab, FIN-00014 Helsinki, Finland. [Teat, Simon J.] ALS, Berkeley Lab, Berkeley, CA 94720 USA. RP Gamez, P (reprint author), Leiden Univ, Leiden Inst Chem, POB 9502, NL-2300 RA Leiden, Netherlands. EM reedijk@chem.leidenuniv.nl RI Roubeau, Olivier/A-6839-2010; Reedijk, Jan/F-1992-2010; Gamez, Patrick/B-3610-2012; Sanchez Costa, Jose/N-9085-2014 OI Roubeau, Olivier/0000-0003-2095-5843; Reedijk, Jan/0000-0002-6739-8514; Gamez, Patrick/0000-0003-2602-9525; Sanchez Costa, Jose/0000-0001-5426-7956 FU NIOK; HRSMC; PTN FX The investigations described in this paper were supported by the Graduate Research School Combination "NRSC Catalysis", a joint activity of the graduate research schools NIOK, HRSMC and PTN. The COST program Action D35/0011 is also kindly acknowledged. NR 45 TC 33 Z9 35 U1 2 U2 27 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2008 IS 27 BP 3567 EP 3573 DI 10.1039/b802109k PG 7 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 321CB UT WOS:000257280800009 PM 18594705 ER PT J AU Yang, PD AF Yang, Peidong TI Chemistry and physics of silicon nanowire SO DALTON TRANSACTIONS LA English DT Article; Proceedings Paper CT 11th Dalton Discussion Meeting CY JUN 23-25, 2008 CL Univ Calf Berkeley, Berkeley, CA HO Univ Calf Berkeley ID SI/SIGE SUPERLATTICE NANOWIRES; ELECTRICAL CHARACTERISTICS; THERMAL-CONDUCTIVITY; BUILDING-BLOCKS; GROWTH; INTEGRATION; CELLS AB This article provides a short overview of the current status of the silicon nanowire research including its synthetic chemistry and physical property characterization, with examples drawn mainly from the author's lab. C1 [Yang, Peidong] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Yang, Peidong] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Yang, PD (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. NR 22 TC 16 Z9 16 U1 0 U2 19 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2008 IS 33 BP 4387 EP 4391 DI 10.1039/b801440j PG 5 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 337DG UT WOS:000258415100006 PM 18698439 ER PT J AU Kurlancheek, W Jung, YS Head-Gordon, M AF Kurlancheek, Westin Jung, Yousung Head-Gordon, Martin TI Effects of ligands and spin-polarization on the preferred conformation of distannynes SO DALTON TRANSACTIONS LA English DT Article; Proceedings Paper CT 11th Dalton Discussion Meeting CY JUN 23-25, 2008 CL Univ Calf Berkeley, Berkeley, CA HO Univ Calf Berkeley ID ELEMENT ALKYNE ANALOGS; ELECTRONIC-STRUCTURE; DIRADICAL CHARACTER; TRIPLE BONDS; LEAD ANALOGS; BASIS-SETS; REACTIVITY; ORBITALS; TIN; STABILITY AB Recent experimental and theoretical evidence has shown that distannynes, RSnSnR, can adopt either a singly bonded or a multiply bonded structure. Within calculations on small models, such asMeSnSnMe, apparently dramatic differences in conformational preference have been reported. We show that these differences arise due to the treatment of spin-polarization in density functional theory (DFT), and review stability analysis; a diagnostic for the need to include spin-polarization. The low-energy singly bonded structure can only be reached when spin-polarization is allowed. Additional DFT calculations on PhSnSnPh show that the singly bonded structure is the global minimum, leading to a. at torsional potential. The role of electronic effects is further probed by changing the donor - acceptor properties of R. Implications for the structural preference of experimentally synthesized species are 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. [Jung, Yousung] CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91125 USA. RP Kurlancheek, W (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RI Jung, Yousung/D-1676-2010 OI Jung, Yousung/0000-0003-2615-8394 NR 41 TC 0 Z9 0 U1 0 U2 3 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2008 IS 33 BP 4428 EP 4435 DI 10.1039/b803417f PG 8 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 337DG UT WOS:000258415100012 PM 18698445 ER PT J AU Parvanov, VM Schenter, GK Hess, NJ Daemen, LL Hartl, M Stowe, AC Camaioni, DM Autrey, T AF Parvanov, Vencislav M. Schenter, Gregory K. Hess, Nancy J. Daemen, Luke L. Hartl, Monika Stowe, Ashley C. Camaioni, Donald M. Autrey, Tom TI Materials for hydrogen storage: structure and dynamics of borane ammonia complex SO DALTON TRANSACTIONS LA English DT Article; Proceedings Paper CT 11th Dalton Discussion Meeting CY JUN 23-25, 2008 CL Univ Calf Berkeley, Berkeley, CA HO Univ Calf Berkeley ID MOLECULAR-ORBITAL METHODS; THERMAL-DECOMPOSITION; DIHYDROGEN BOND; AMINE BORANES; SOLID BH3NH3; BASIS SETS; NMR; BORON; THERMOCHEMISTRY; DIFFRACTION AB The activation energies for rotations in low- temperature orthorhombic ammonia borane were analyzed and characterized in terms of electronic structure theory. The perdeuterated (11)B-enriched ammonia borane, (11)BD(3)ND(3), sample was synthesized, and the structure was refined from neutron powder diffraction data at 175 K. This temperature has been chosen as median of the range of previously reported nuclear magnetic resonance spectroscopy measurements of these rotations. A representative molecular cluster model was assembled from the refined geometry, and the activation energies were calculated and characterized by analysis of the environmental factors that control the rotational dynamics. The barrier for independent NH(3) rotation, E(a) = 12.7 kJ mol(-1), largely depends on the molecular conformational torsion in the solid- state geometry. The barrier for independent BH(3) rotation, E(a) = 38.3 kJ mol(-1), results from the summation of the effect of molecular torsion and large repulsive intermolecular hydrogen - hydrogen interactions. However, a barrier of E(a) = 31.1 kJ mol(-1) was calculated for internally correlated rotation with preserved molecular conformation. Analysis of the barrier heights and the corresponding rotational pathways shows that rotation of the BH(3) group involves strongly correlated rotation of the NH(3) end of the molecule. This observation suggests that the barrier from previously reported measurement of BH(3) rotation corresponds to H(3)B - NH(3) correlated rotation. C1 [Parvanov, Vencislav M.; Schenter, Gregory K.; Hess, Nancy J.; Stowe, Ashley C.; Camaioni, Donald M.; Autrey, Tom] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. [Daemen, Luke L.; Hartl, Monika] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Autrey, T (reprint author), Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. EM tom.autrey@pnl.gov RI Lujan Center, LANL/G-4896-2012; Hartl, Monika/F-3094-2014; Schenter, Gregory/I-7655-2014; Hartl, Monika/N-4586-2016; OI Hartl, Monika/0000-0002-6601-7273; Schenter, Gregory/0000-0001-5444-5484; Hartl, Monika/0000-0002-6601-7273; Hess, Nancy/0000-0002-8930-9500 NR 47 TC 33 Z9 34 U1 0 U2 12 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1477-9226 J9 DALTON T JI Dalton Trans. PY 2008 IS 33 BP 4514 EP 4522 DI 10.1039/b718138h PG 9 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 337DG UT WOS:000258415100023 PM 18698456 ER PT S AU Turcu, G Nestorov, S Foster, I AF Turcu, Gabriela Nestorov, Svetlozar Foster, Ian BE Song, IY Eder, J Nguyen, TM TI Efficient incremental maintenance of derived relations and BLAST computations in bioinformatics data warehouses SO DATA WAREHOUSING AND KNOWLEDGE DISCOVERY, PROCEEDINGS SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 10th International Conference on Data Warehousing and Knowledge Discovery CY SEP 02-05, 2008 CL Turin, ITALY ID EXPRESSIONS AB In the data driven field of bioinformatics, data warehouses have emerged as common solutions to facilitate data analysis. The uncertainty, complexity and change rate of biological data underscore the importance of capturing its evolution, To capture information about our database's evolution, we incorporate a temporal dimension in our data model, which we implement by means of lifespan timestamps attached to every tuple in the warehouse. This temporal information allows us to keep a full history of the warehouse and recreate any past version for purposes of auditing. Equally importantly, this information facilitates the incremental maintenance of the warehouse. We maintain the warehouse incrementally not only for relations derived by applying the standard relational operators but also for computed relations. In particular, we consider computed relations obtained through external BLAST sequence alignment computations, which are often identified as a bottleneck in the integrated warehouse maintenance process. Our experiments with subsets of protein sequences from the NCBI non-redundant database demonstrate at least 10-fold speedups for realistic target space size increases of 1% to 5%. C1 [Turcu, Gabriela; Foster, Ian] Univ Chicago, Dept Comp Sci, Chicago, IL 60637 USA. [Nestorov, Svetlozar; Foster, Ian] Univ Chicago, Comp Inst, Argonne Natl Lab, Chicago, IL 60637 USA. [Nestorov, Svetlozar; Foster, Ian] Math & Comp Sci Div, Agronne Natl Lab, Lemont, IL USA. RP Turcu, G (reprint author), Univ Chicago, Dept Comp Sci, Chicago, IL 60637 USA. EM gabri@cs.uchicago.edu; foster@mcs.anl.gov; evtimov@cs.uchicago.edu NR 21 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 978-3-540-85835-5 J9 LECT NOTES COMPUT SC PY 2008 VL 5182 BP 135 EP + PG 3 WC Computer Science, Artificial Intelligence; Computer Science, Information Systems; Computer Science, Theory & Methods SC Computer Science GA BIH48 UT WOS:000259488400013 ER PT B AU Lindstrom, P Isenburg, M AF Lindstrom, Peter Isenburg, Martin BE Storer, JA Marcellin, MW TI Lossless compression of hexahedral meshes SO DCC: 2008 DATA COMPRESSION CONFERENCE, PROCEEDINGS LA English DT Proceedings Paper CT 18th Data Compression Conference CY MAR 25-27, 2008 CL Snowbird, UT SP Brandeis Univ, Comp Sci Dept, IEEE Comp Soc ID FLOATING-POINT DATA AB Many science and engineering applications use high-resolution unstructured hexahedral meshes to model solid 3D shapes for finite element simulations. These simulations frequently dump the mesh and associated fields to disk for subsequent analysis, which involves the transfer of huge volumes of data. To reduce requirements on disk space and bandwidth, we propose efficient schemes for lossless online compression of hexahedral mesh geometry and connectivity. Our approach is to use hash-based value predictors to transform the mesh connectivity list into a more compact byte-aligned stream of symbols that can then be efficiently compressed using conventional text compressors such as gzip. Our scheme is memory efficient, fast, and simple to implement, and yields 1-3 orders of magnitude reduction on a set of benchmark meshes. For geometry and field coding, we derive a set of local spectral predictors optimized for each possible configuration of previously encoded and thus available vertices within a hexahedron. Combined with lossless floating-point residual coding, this approach improves considerably upon prior predictive geometry coding schemes. C1 [Lindstrom, Peter; Isenburg, Martin] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Lindstrom, P (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM pl@llnl.gov; isenburg@llnl.gov OI Lindstrom, Peter/0000-0003-3817-4199 NR 17 TC 2 Z9 2 U1 0 U2 1 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA BN 978-0-7695-3121-2 PY 2008 BP 192 EP 201 DI 10.1109/DCC.2008.12 PG 10 WC Computer Science, Information Systems; Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BHP84 UT WOS:000255196800020 ER PT J AU Sikes, EL Burgess, SN Grandpre, R Guilderson, TP AF Sikes, Elisabeth L. Burgess, Samantha N. Grandpre, Rachel Guilderson, Thomas P. TI Assessing modern deep-water ages in the New Zealand region using deep-water corals SO DEEP-SEA RESEARCH PART I-OCEANOGRAPHIC RESEARCH PAPERS LA English DT Article DE deep corals; radiocarbon ID SEA CORALS; PACIFIC-OCEAN; NORTH-ATLANTIC; GROWTH-RATES; RADIOCARBON; VARIABILITY; SOUTHERN; DEGLACIATION; VENTILATION; OTOLITHS AB The radiocarbon levels of 19 deep-sea corals from scamounts and plateaus in the New Zealand region were determined to assess their ability to record contemporaneous radiocarbon levels in surrounding (in situ) waters. Four species of subthermocline-dwelling corals from 366 to 1680 m water depth were collected between 1964 and 2000 using dredge hauls. Carbonate directly underlying living polyps was analyzed for radiocarbon content. Corals underlying subantarctic waters to the south of the South Island and subtropical waters to the north of New Zealand were collected from 426 to 1680 m water depth and had Delta C-14 levels ranging from -11%. to -146%. (45-1200 C-14 years). These radiocarbon levels are in good agreement with the radiocarbon levels of the regional subthermocline waters, as determined for the Sigma CO2 in the waters by GEOSECS in 1974 and WOCE in 1992. The differences in Delta C-14 levels in corals sampled in the 1960s and 1990s trace a pattern of changing bomb radiocarbon influence on the carbon in subthermocline waters. The subtropical frontal zone, an area known for significant eddies and mesoscale mixing, sits astride the Chatham Rise to the east of New Zealand, and radiocarbon profiles there are correspondingly more complex. Corals collected on the Chatham Rise were retrieved from 366 to 1100 m and document Delta C-14 levels ranging from -116 parts per thousand to +12 parts per thousand (945 C-14 years before present to significantly bomb-influenced). Corals sampled from depths shallower than -500 m tended to have higher and more consistent levels of bomb-carbon input, whereas corals sampled from depths deeper than -800 m show little or no bomb-carbon influence. Published measurements of the radiocarbon levels of the dissolved inorganic carbon from a transect taken in 1988 across the Chatham Rise indicate localized injection of surface waters containing bomb radiocarbon to depths as great as 600 m, which appears to be faithfully recorded in the corals. These results indicate that deep corals record even decadal-scale changes in the radiocarbon signal of the water in which they grew, making them excellent recorders of deep-water radiocarbon past and present. (c) 2007 Elsevier Ltd. All rights reserved. C1 [Sikes, Elisabeth L.; Grandpre, Rachel] Rutgers State Univ, Inst Marine & Coastal Sci, New Brunswick, NJ 08901 USA. [Burgess, Samantha N.] Univ Auckland, Sch Environm & Marine Sci, Auckland 92019, New Zealand. [Guilderson, Thomas P.] Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA. [Guilderson, Thomas P.] Univ Calif Santa Cruz, Inst Marine Sci, Dept Ocean Sci, Santa Cruz, CA 95064 USA. RP Sikes, EL (reprint author), Rutgers State Univ, Inst Marine & Coastal Sci, 71 Dudley Rd, New Brunswick, NJ 08901 USA. EM sikes@marine.rutgers.edu NR 33 TC 6 Z9 6 U1 0 U2 7 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0967-0637 J9 DEEP-SEA RES PT I JI Deep-Sea Res. Part I-Oceanogr. Res. Pap. PD JAN PY 2008 VL 55 IS 1 BP 38 EP 49 DI 10.1016/j.dsr.2007.10.004 PG 12 WC Oceanography SC Oceanography GA 264ZB UT WOS:000253327800003 ER PT J AU Weijer, W AF Weijer, Wilbert TI Normal modes of the Mascarene Basin SO DEEP-SEA RESEARCH PART I-OCEANOGRAPHIC RESEARCH PAPERS LA English DT Article DE barotropic modes; oscillations; shallow-water dynamics; eigenfunctions; South Indian Ocean; Mascarene Basin; 42-64 degrees E; 2-32 degrees S ID LATERAL DIFFUSIVITY; PLANETARY-WAVES; INDIAN-OCEAN; CIRCULATION; PACIFIC; WATER AB In this paper the origin of the bi-monthly variability in the Mascarene Basin is reconsidered. Free oscillatory modes of the Mascarene Basin are determined by performing normal mode analysis on the motionless solution in a barotropic shallow-water model with realistic bathymetry. Several modes are identified with monthly to bi-monthly time scales. The mode that agrees best with recent current meter observations can be interpreted as a barotropic Rossby basin mode, confined to the tilted geometry of the Mascarene Basin. (c) 2007 Elsevier Ltd. All rights reserved. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Weijer, W (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM wilbert@lanl.gov RI Weijer, Wilbert/A-7909-2010 NR 15 TC 14 Z9 14 U1 0 U2 4 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0967-0637 J9 DEEP-SEA RES PT I JI Deep-Sea Res. Part I-Oceanogr. Res. Pap. PD JAN PY 2008 VL 55 IS 1 BP 128 EP 136 DI 10.1016/j.dsr.2007.10.005 PG 9 WC Oceanography SC Oceanography GA 264ZB UT WOS:000253327800007 ER PT J AU Hsueh, CH Thompson, GA Jadaan, OM Wereszczak, AA Becher, PF AF Hsueh, C. H. Thompson, G. A. Jadaan, O. M. Wereszczak, A. A. Becher, P. F. TI Analyses of layer-thickness effects in bilayered dental ceramics subjected to thermal stresses and ring-on-ring tests SO DENTAL MATERIALS LA English DT Article DE biaxial flexure test; dental ceramics; bilayer; stress distribution; failure origin ID BIAXIAL FLEXURE TESTS; MECHANICAL-PROPERTIES; SURFACE-ROUGHNESS; RESIDUAL-STRESSES; CORE MATERIALS; STRENGTH; PORCELAINS; COMPOSITE; FRACTURE; FAILURE AB Objectives. The purpose of this study was to analyze the stress distribution through the thickness of bilayered dental ceramics subjected to both thermal stresses and ring-on-ring tests and to systematically examine how the individual layer thickness influences this stress distribution and the failure origin. Methods. Ring-on-ring tests were performed on In-Ceram Alumina/Vitadur Alpha porcelain bilayered disks with porcelain in the tensile side, and In-Ceram Alumina to porcelain layer thickness ratios of 1:2, 1:1, and 2:1 were used to characterize whether failure originated at the surface or the interface. Based on (1) the thermomechanical properties and thickness of each layer, (2) the difference between the test temperature and the glass transition temperature, and (3) the ring-on-ring loading configuration, the stress distribution through the thickness of the bilayer was calculated using closed-form solutions. Finite element analyses were also performed to verify the analytical results. Results. The calculated stress distributions showed that the location of maximum tension during testing shifted from the porcelain surface to the In-Ceram Alumina/porcelain interface when the relative layer thickness ratio changed from 1:2 to 1:1 and to 2:1. This trend is in agreement with the experimental observations of the failure origins. Significance. For bilayered dental ceramics subjected to ring-on-ring tests, the location of maximum tension can shift from the surface to the interface depending upon the layer thickness ratio. The closed-form solutions for bilayers subjected to both thermal stresses and ring-on-ring tests allow the biaxial strength of the bilayer to be evaluated. (c) 2007 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved. C1 [Hsueh, C. H.; Wereszczak, A. A.; Becher, P. F.] Oak Ridge Natl Lab, Mat Sci & Technol Lab, Oak Ridge, TN 37831 USA. [Thompson, G. A.] US Army Dent & Trauma Res Detachment, Great Lakes, IL 60088 USA. [Jadaan, O. M.] Univ Wisconsin, Coll Engn Math & Sci, Platteville, WI 53818 USA. RP Hsueh, CH (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Lab, Oak Ridge, TN 37831 USA. EM hsuehc@ornl.gov RI Hsueh, Chun-Hway/G-1345-2011; Wereszczak, Andrew/I-7310-2016 OI Wereszczak, Andrew/0000-0002-8344-092X NR 34 TC 35 Z9 37 U1 0 U2 16 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0109-5641 J9 DENT MATER JI Dent. Mater. PD JAN PY 2008 VL 24 IS 1 BP 9 EP 17 DI 10.1016/j.dental.2006.12.009 PG 9 WC Dentistry, Oral Surgery & Medicine; Materials Science, Biomaterials SC Dentistry, Oral Surgery & Medicine; Materials Science GA 259BO UT WOS:000252914300002 PM 17379295 ER PT J AU Garcia, ML AF Garcia, Mary Lynn BA Garcia, ML BF Garcia, ML TI Design and Evaluation of Physical Protection Systems SO DESIGN AND EVALUATION OF PHYSICAL PROTECTION SYSTEMS, 2ND EDITION LA English DT Article; Book Chapter C1 Sandia Natl Labs, Livermore, CA 94550 USA. RP Garcia, ML (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 5 TC 1 Z9 1 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-055428-0 PY 2008 BP 1 EP 11 PG 11 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BEN65 UT WOS:000317483800002 ER PT J AU Garcia, ML AF Garcia, Mary Lynn BA Garcia, ML BF Garcia, ML TI Facility Characterization SO DESIGN AND EVALUATION OF PHYSICAL PROTECTION SYSTEMS, 2ND EDITION LA English DT Article; Book Chapter C1 Sandia Natl Labs, Livermore, CA 94550 USA. RP Garcia, ML (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 8 TC 1 Z9 1 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-055428-0 PY 2008 BP 15 EP 23 PG 9 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BEN65 UT WOS:000317483800003 ER PT B AU Garcia, ML AF Garcia, Mary Lynn BA Garcia, ML BF Garcia, ML TI The Design and Evaluation of Physical Protection Systems Second Edition Preface SO DESIGN AND EVALUATION OF PHYSICAL PROTECTION SYSTEMS, 2ND EDITION LA English DT Editorial Material; Book Chapter C1 Sandia Natl Labs, Livermore, CA 94550 USA. RP Garcia, ML (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-055428-0 PY 2008 BP XVII EP XVIII PG 2 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BEN65 UT WOS:000317483800001 ER PT B AU Garcia, ML AF Garcia, Mary Lynn BA Garcia, ML BF Garcia, ML TI Threat Definition SO DESIGN AND EVALUATION OF PHYSICAL PROTECTION SYSTEMS, 2ND EDITION LA English DT Article; Book Chapter C1 Sandia Natl Labs, Livermore, CA 94550 USA. RP Garcia, ML (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 10 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-055428-0 PY 2008 BP 25 EP 41 PG 17 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BEN65 UT WOS:000317483800004 ER PT B AU Garcia, ML AF Garcia, Mary Lynn BA Garcia, ML BF Garcia, ML TI Target Identification SO DESIGN AND EVALUATION OF PHYSICAL PROTECTION SYSTEMS, 2ND EDITION LA English DT Article; Book Chapter C1 Sandia Natl Labs, Livermore, CA 94550 USA. RP Garcia, ML (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 6 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-055428-0 PY 2008 BP 43 EP 54 PG 12 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BEN65 UT WOS:000317483800005 ER PT J AU Garcia, ML AF Garcia, Mary Lynn BA Garcia, ML BF Garcia, ML TI Physical Protection System Design SO DESIGN AND EVALUATION OF PHYSICAL PROTECTION SYSTEMS, 2ND EDITION LA English DT Article; Book Chapter C1 Sandia Natl Labs, Livermore, CA 94550 USA. RP Garcia, ML (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 1 TC 1 Z9 1 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-055428-0 PY 2008 BP 57 EP 67 PG 11 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BEN65 UT WOS:000317483800006 ER PT B AU Garcia, ML AF Garcia, Mary Lynn BA Garcia, ML BF Garcia, ML TI Exterior Intrusion Sensors SO DESIGN AND EVALUATION OF PHYSICAL PROTECTION SYSTEMS, 2ND EDITION LA English DT Article; Book Chapter C1 Sandia Natl Labs, Livermore, CA 94550 USA. RP Garcia, ML (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 11 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-055428-0 PY 2008 BP 69 EP 99 PG 31 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BEN65 UT WOS:000317483800007 ER PT B AU Garcia, ML AF Garcia, Mary Lynn BA Garcia, ML BF Garcia, ML TI Interior Intrusion Sensors SO DESIGN AND EVALUATION OF PHYSICAL PROTECTION SYSTEMS, 2ND EDITION LA English DT Article; Book Chapter C1 Sandia Natl Labs, Livermore, CA 94550 USA. RP Garcia, ML (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 8 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-055428-0 PY 2008 BP 101 EP 125 PG 25 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BEN65 UT WOS:000317483800008 ER PT B AU Garcia, ML AF Garcia, Mary Lynn BA Garcia, ML BF Garcia, ML TI Alarm Assessment SO DESIGN AND EVALUATION OF PHYSICAL PROTECTION SYSTEMS, 2ND EDITION LA English DT Article; Book Chapter ID MOVEMENT C1 Sandia Natl Labs, Livermore, CA 94550 USA. RP Garcia, ML (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 13 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-055428-0 PY 2008 BP 127 EP 159 PG 33 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BEN65 UT WOS:000317483800009 ER PT B AU Garcia, ML AF Garcia, Mary Lynn BA Garcia, ML BF Garcia, ML TI Alarm Communication and Display SO DESIGN AND EVALUATION OF PHYSICAL PROTECTION SYSTEMS, 2ND EDITION LA English DT Article; Book Chapter C1 Sandia Natl Labs, Livermore, CA 94550 USA. RP Garcia, ML (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-055428-0 PY 2008 BP 161 EP 186 PG 26 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BEN65 UT WOS:000317483800010 ER PT B AU Garcia, ML AF Garcia, Mary Lynn BA Garcia, ML BF Garcia, ML TI Entry Control SO DESIGN AND EVALUATION OF PHYSICAL PROTECTION SYSTEMS, 2ND EDITION LA English DT Article; Book Chapter C1 Sandia Natl Labs, Livermore, CA 94550 USA. RP Garcia, ML (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 10 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-055428-0 PY 2008 BP 187 EP 217 PG 31 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BEN65 UT WOS:000317483800011 ER PT B AU Garcia, ML AF Garcia, Mary Lynn BA Garcia, ML BF Garcia, ML TI Access Delay SO DESIGN AND EVALUATION OF PHYSICAL PROTECTION SYSTEMS, 2ND EDITION LA English DT Article; Book Chapter C1 Sandia Natl Labs, Livermore, CA 94550 USA. RP Garcia, ML (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 5 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-055428-0 PY 2008 BP 219 EP 241 PG 23 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BEN65 UT WOS:000317483800012 ER PT B AU Garcia, ML AF Garcia, Mary Lynn BA Garcia, ML BF Garcia, ML TI Response SO DESIGN AND EVALUATION OF PHYSICAL PROTECTION SYSTEMS, 2ND EDITION LA English DT Article; Book Chapter C1 Sandia Natl Labs, Livermore, CA 94550 USA. RP Garcia, ML (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 7 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-055428-0 PY 2008 BP 243 EP 259 PG 17 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BEN65 UT WOS:000317483800013 ER PT B AU Garcia, ML AF Garcia, Mary Lynn BA Garcia, ML BF Garcia, ML TI Analysis and Evaluation SO DESIGN AND EVALUATION OF PHYSICAL PROTECTION SYSTEMS, 2ND EDITION LA English DT Article; Book Chapter C1 Sandia Natl Labs, Livermore, CA 94550 USA. RP Garcia, ML (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-055428-0 PY 2008 BP 263 EP 271 PG 9 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BEN65 UT WOS:000317483800014 ER PT B AU Garcia, ML AF Garcia, Mary Lynn BA Garcia, ML BF Garcia, ML TI EASI Computer Model for Analysis SO DESIGN AND EVALUATION OF PHYSICAL PROTECTION SYSTEMS, 2ND EDITION LA English DT Article; Book Chapter C1 Sandia Natl Labs, Livermore, CA 94550 USA. RP Garcia, ML (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 2 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-055428-0 PY 2008 BP 273 EP 290 PG 18 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BEN65 UT WOS:000317483800015 ER PT B AU Garcia, ML AF Garcia, Mary Lynn BA Garcia, ML BF Garcia, ML TI Risk Assessment SO DESIGN AND EVALUATION OF PHYSICAL PROTECTION SYSTEMS, 2ND EDITION LA English DT Article; Book Chapter C1 Sandia Natl Labs, Livermore, CA 94550 USA. RP Garcia, ML (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 1 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-055428-0 PY 2008 BP 291 EP 298 PG 8 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BEN65 UT WOS:000317483800016 ER PT B AU Garcia, ML AF Garcia, Mary Lynn BA Garcia, ML BF Garcia, ML TI Process Applications SO DESIGN AND EVALUATION OF PHYSICAL PROTECTION SYSTEMS, 2ND EDITION LA English DT Article; Book Chapter C1 Sandia Natl Labs, Livermore, CA 94550 USA. RP Garcia, ML (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 9 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-055428-0 PY 2008 BP 299 EP 314 PG 16 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BEN65 UT WOS:000317483800017 ER PT B AU Garcia, ML AF Garcia, Mary Lynn BA Garcia, ML BF Garcia, ML TI EASI Model SO DESIGN AND EVALUATION OF PHYSICAL PROTECTION SYSTEMS, 2ND EDITION LA English DT Article; Book Chapter C1 Sandia Natl Labs, Livermore, CA 94550 USA. RP Garcia, ML (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-055428-0 PY 2008 BP 319 EP 323 PG 5 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BEN65 UT WOS:000317483800018 ER PT S AU Kwan, TJT Morgado, RE Wang, TSF Vodolaga, B Terekhin, V Onischenko, LM Vorozhtsov, SB Samsonov, EV Vorozhtsov, AS Alenitsky, YG Perpelkin, EE Glazov, AA Novikov, DL Parkhomchuk, V Reva, V Vostrikov, V Mashinin, VA Fedotov, SN Minayev, SA AF Kwan, T. J. T. Morgado, R. E. Wang, Tai-Sen F. Vodolaga, B. Terekhin, V. Onischenko, L. M. Vorozhtsov, S. B. Samsonov, E. V. Vorozhtsov, A. S. Alenitsky, Yu. G. Perpelkin, E. E. Glazov, A. A. Novikov, D. L. Parkhomchuk, V. Reva, V. Vostrikov, V. Mashinin, V. A. Fedotov, S. N. Minayev, S. A. BE Schubert, H Kuznetsov, A TI Detection of explosives using nuclear resonance absorption of gamma rays in nitrogen: A Russian/US collaboration SO DETECTION OF LIQUID EXPLOSIVES AND FLAMMABLE AGENTS IN CONNECTION WITH TERRORISM SE NATO Science for Peace and Security Series B-Physics and Biophysics LA English DT Proceedings Paper CT NATO Advanced Research Workshop on Detection of Liquid Explosives and Flammable Agents in Connection with Terrorism CY OCT 17-19, 2007 CL St Petersburg, RUSSIA SP NATO DE explosives detection; compact cyclotron; proton storage ring; electron beam cooling; vacuum insulted tandem accelerator; gamma-ray resonance-absorption (GRA); nuclear resonance-absorption (NRA); pulsed fast neutron analysis (PFNA) AB A summary of the work performed to date is presented. The project brings together accelerator scientists in the US and Russia to develop high-current charged-particle accelerators for applications to explosives detection. These include an electrostatic tandem accelerator of novel design and a compact cyclotron and storage ring with energy compensation and electron cooling. C1 [Kwan, T. J. T.; Morgado, R. E.; Wang, Tai-Sen F.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. [Vodolaga, B.; Terekhin, V.] All-Russia Sci Res Inst of Techn Phys, Snezhinsk, Russia. [Onischenko, L. M.; Vorozhtsov, S. B.; Samsonov, E. V.; Vorozhtsov, A. S.; Alenitsky, Yu. G.; Perpelkin, E. E.; Glazov, A. A.; Novikov, D. L.] Joint Inst Nucl Res, Dubna, Russia. [Parkhomchuk, V.; Reva, V.; Vostrikov, V.] Budker Inst Nucl Phys, Novosibirsk, Russia. [Mashinin, V. A.; Fedotov, S. N.; Minayev, S. A.] Res firm IFI, Moscow, Russia. RP Kwan, TJT (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RI Parkhomchuk, Vasily/B-3835-2017 OI Parkhomchuk, Vasily/0000-0001-5833-0051 FU Nuclear Warhead Safety and Security Exchange (WSSX); Department of Energy, NNSA [(NA-241)] FX The authors would like to thanks Dr. Tsahi Gozani for the materials on PFNA. This work was supported by the Nuclear Warhead Safety and Security Exchange (WSSX) agreement, Department of Energy, NNSA (NA-241). NR 8 TC 1 Z9 2 U1 0 U2 1 PU SPRINGER PI DORDRECHT PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS SN 1871-465X BN 978-1-4020-8465-2; 978-1-4020-8464-5 J9 NATO SCI PEACE SEC B PY 2008 BP 97 EP + DI 10.1007/978-1-4020-8466-9_10 PG 3 WC Biophysics; Social Issues SC Biophysics; Social Issues GA BHV01 UT WOS:000256621800010 ER PT J AU Pint, BA AF Pint, B. A. BE Gao, W Li, Z TI Design strategies for new oxidation-resistant high temperature alloys SO DEVELOPMENTS IN HIGH TEMPERATURE CORROSION AND PROTECTION OF MATERIALS SE Woodhead Publishing in Materials LA English DT Article; Book Chapter ID ALUMINA-FORMING ALLOYS; AUSTENITIC STAINLESS-STEELS; GRAIN-BOUNDARY SEGREGATION; NI-BASE SUPERALLOYS; FE-AL ALLOYS; WATER-VAPOR; REACTIVE-ELEMENT; SCALE FORMATION; BREAKAWAY OXIDATION; FECRAL ALLOYS C1 Oak Ridge Natl Lab, Mat Sci & Technol Div, Corros Sci & Technol Grp, Oak Ridge, TN 37831 USA. RP Pint, BA (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Corros Sci & Technol Grp, 1 Bethel Valley Rd,MS 6156, Oak Ridge, TN 37831 USA. EM pintba@ornl.gov NR 135 TC 4 Z9 4 U1 1 U2 6 PU WOODHEAD PUBL LTD PI CAMBRIDGE PA ABINGTON HALL ABINGTON, CAMBRIDGE CB1 6AH, CAMBS, ENGLAND BN 978 1 84569 219 3 J9 WOODHEAD PUBL MATER PY 2008 BP 398 EP 432 DI 10.1533/9781845694258.2.398 PG 35 WC Materials Science, Multidisciplinary SC Materials Science GA BOI93 UT WOS:000276786600013 ER PT B AU Lessing, P AF Lessing, P. BE Mindess, S TI High-density and radiation-shielding concrete SO DEVELOPMENTS IN THE FORMULATION AND REINFORCEMENT OF CONCRETE SE Woodhead Publishing in Materials LA English DT Article; Book Chapter ID PENETRATION DEPTH; PROJECTILES; TARGETS C1 Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Lessing, P (reprint author), Idaho Natl Lab, Box 1625, Idaho Falls, ID 83415 USA. EM Paul.Lessing@INL.gov NR 34 TC 0 Z9 0 U1 0 U2 0 PU WOODHEAD PUBL LTD PI CAMBRIDGE PA ABINGTON HALL ABINGTON, CAMBRIDGE CB1 6AH, CAMBS, ENGLAND BN 978 1 84569 263 6 J9 WOODHEAD PUBL MATER PY 2008 BP 44 EP 78 PG 35 WC Construction & Building Technology; Engineering, Civil; Materials Science, Multidisciplinary SC Construction & Building Technology; Engineering; Materials Science GA BOH46 UT WOS:000276653100003 ER PT S AU Socha, JJ De Carlo, F AF Socha, John J. De Carlo, Francesco BE Stock, SR TI Use of synchrotron tomography to image naturalistic anatomy in insects SO DEVELOPMENTS IN X-RAY TOMOGRAPHY VI SE PROCEEDINGS OF THE SOCIETY OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS (SPIE) LA English DT Proceedings Paper CT 6h Conference on Developments in X-Ray Tomography CY AUG 12-14, 2008 CL San Diego, CA SP SPIE DE synchrotron microtomography; anatomy; insect; tracheal system; muscle ID RAY; MICROTOMOGRAPHY; MORPHOLOGY; SYSTEM AB Understanding the morphology of anatomical structures is a cornerstone of biology. For small animals, classical methods such as histology have provided a wealth of data, but such techniques can be problematic due to destruction of the sample. More importantly, fixation and physical slicing can cause deformation of anatomy, a critical limitation when precise three-dimensional data are required. Modem techniques such as confocal microscopy, MRI, and tabletop x-ray microCT provide effective non-invasive methods, but each of these tools each has limitations including sample size constraints, resolution limits, and difficulty visualizing soft tissue. Our research group at the Advanced Photon Source (Argonne National Laboratory) studies physiological processes in insects, focusing on the dynamics of breathing and feeding. To determine the size, shape, and relative location of internal anatomy in insects, we use synchrotron microtomography at the beamline 2-BM to image structures including tracheal tubes, muscles, and gut. Because obtaining naturalistic, undeformed anatomical information is a key component of our studies, we have developed methods to image fresh and non-fixed whole animals and tissues. Although motion artifacts remain a problem, we have successfully imaged multiple species including beetles, ants, fruit flies, and butterflies. Here we discuss advances in biological imaging and highlight key findings in insect morphology. C1 [Socha, John J.; De Carlo, Francesco] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Socha, JJ (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. NR 12 TC 3 Z9 3 U1 2 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 978-0-8194-7298-4 J9 P SOC PHOTO-OPT INS PY 2008 VL 7078 AR 70780A DI 10.1117/12.795210 PG 7 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA BIZ03 UT WOS:000263867300008 ER PT S AU Xiao, XH De Carlo, F Stock, SR AF Xiao, Xianghui De Carlo, Francesco Stock, Stuart R. BE Stock, SR TI X-ray zoom-in tomography of calcified tissue SO DEVELOPMENTS IN X-RAY TOMOGRAPHY VI SE PROCEEDINGS OF THE SOCIETY OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS (SPIE) LA English DT Proceedings Paper CT 6h Conference on Developments in X-Ray Tomography CY AUG 12-14, 2008 CL San Diego, CA SP SPIE DE zoom-in tomography; medical imaging; bone; reconstruction errors; microtomography ID IMAGE-RECONSTRUCTION AB X-ray computed tomography (XCT) is a powerful non-invasive imaging tool for biomedical applications. It provides not only morphology but also the absolute value of the linear attenuation coefficient distribution of the specimen in three dimensions, which is helpful in osteoporosis and other component-sensitive studies. Spatial resolution and specimen size are coupled through the detector's field of view (FOV) and the number of elements in the area detector. When the FOV is smaller than the specimen size, the truncated-data problem arises, which can cause large errors in the values of the volume elements (voxels) in the reconstruction. Zoom-in tomography is a technique that images a small region of interest (ROI) in a large-size specimen with high resolution and uses low-resolution data for the entire specimen to reduce reconstruction errors in the ROI. We developed a method to estimate the residual error in linear attenuation coefficient values persisting in zoom-in tomography and used it to judge the accuracy of zoom-in tomographic reconstructions. In this work, we imaged a sample of trabecular bone with zoom-in tomography and quantified differences in voxel values, concentrating on comparisons of low and high mineral regions of the bone. C1 [Xiao, Xianghui; De Carlo, Francesco] Argonne Natl Lab, Argonne, IL 60439 USA. RP Xiao, XH (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 7 TC 4 Z9 4 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 978-0-8194-7298-4 J9 P SOC PHOTO-OPT INS PY 2008 VL 7078 AR 707810 DI 10.1117/12.796638 PG 8 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA BIZ03 UT WOS:000263867300030 ER PT S AU Smedley, J Ben-Zvi, I Bohon, J Chang, XY Grover, R Isakovic, A Rao, T Wu, Q AF Smedley, John Ben-Zvi, Ilan Bohon, Jen Chang, Xiangyun Grover, Ranjan Isakovic, Abdel Rao, Triveni Wu, Qiong BE Nebel, CE Jackman, RB Nemanich, RJ Nesladek, M TI Diamond amplified photocathodes SO DIAMOND ELECTRONICS - FUNDAMENTALS TO APPLICATIONS II SE MATERIALS RESEARCH SOCIETY SYMPOSIUM PROCEEDINGS LA English DT Proceedings Paper CT Symposium on Diamond Electronics - Fundamentals to Applications II held at the 2007 MRS Fall Meeting CY NOV 26-30, 2007 CL Boston, MA SP Mat Res Soc ID ELECTRON; TRANSMISSION; FILMS AB High-average-current linear electron accelerators require photoinjectors capable of delivering tens to hundreds of mA average current, with peak currents of hundreds of amps. Standard photocathodes face significant challenges in meeting these requirements, and often have short operational lifetimes in an accelerator environment. We report on recent progress toward development of secondary emission amplifiers for photocathodes, which are intended to increase the achievable average current while protecting the cathode from the accelerator. The amplifier is a thin diamond wafer which converts energetic (few keV) primary electrons into hundreds of electron-bole pairs via secondary electron emission. The electrons drift through the diamond under an external bias and are emitted into vacuum via a hydrogen-terminated surface with negative electron affinity (NEA). Secondary emission gain of over 200 has been achieved. Two methods of patterning diamond, laser ablation and reactive-ion etching (RIE), are being developed to produce the required geometry. A variety of diagnostic techniques, including FTIR, SEM and AFM, have been used to characterize the diamonds. C1 [Smedley, John; Ben-Zvi, Ilan; Chang, Xiangyun; Grover, Ranjan; Isakovic, Abdel; Rao, Triveni] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Smedley, J (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. NR 12 TC 0 Z9 0 U1 0 U2 3 PU MATERIALS RESEARCH SOCIETY PI WARRENDALE PA 506 KEYSTONE DRIVE, WARRENDALE, PA 15088-7563 USA SN 0272-9172 BN 978-1-55899-986-2 J9 MATER RES SOC SYMP P PY 2008 VL 1039 BP 229 EP 234 PG 6 WC Chemistry, Applied; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA BHY88 UT WOS:000257510500026 ER PT S AU Cowell, AJ Hale, K Berka, C Fuchs, S Baskin, A Jones, D Davis, G Johnson, R Fatch, R Marshall, E AF Cowell, Andrew J. Hale, Kelly Berka, Chris Fuchs, Sven Baskin, Angela Jones, David Davis, Gene Johnson, Robin Fatch, Robin Marshall, Eric BE Cai, Y TI Brainwave-Based Imagery Analysis SO DIGITAL HUMAN MODELING: TRENDS IN HUMAN ALGORITHMS SE Lecture Notes in Artificial Intelligence LA English DT Article; Book Chapter DE Augmented cognition; electroencephalography; eye tracking; imagery analysis ID SPEED AB Intelligence analysts are bombarded with enormous volumes of imagery that they must visually filter to identify relevant areas of interest. Interpretation of such data is subject to error due to (1) large data volumes, implying the need for faster and more effective processing, and (2) misinterpretation, implying the need for enhanced analyst/system effectiveness. This paper outlines the Revolutionary Accelerated Processing linage Detection (RAPID) System, designed to significantly improve data throughput and interpretation by incorporating advancing neurophysiological technology to monitor processes associated with detection and identification of relevant target stimuli in a non-invasive and temporally precise manner. Specifically, this work includes the development of innovative electroencephalographic (EEG) and eye tracking technologies to detect and flag areas of interest, potentially without an analyst's conscious intervention or motor responses, while detecting and mitigating problems with tacit knowledge, such as anchoring bias in real-time to reduce the possibility of human error. C1 [Cowell, Andrew J.; Marshall, Eric] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Cowell, AJ (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM andrew@pnl.gov; kelly@designinteractive.net; chris@b-alert.com; sven@designinteractive.net; angela@designinteractive.net; david@designinteractive.net; gene@b-alert.com; rjohnson@b-alert.com; rfatch@b-alert.com; eric.marshall@pnl.gov NR 23 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 978-3-540-89429-2 J9 LECT NOTES ARTIF INT PY 2008 VL 4650 BP 17 EP 27 D2 10.1007/978-3-540-89430-8 PG 11 WC Computer Science, Artificial Intelligence SC Computer Science GA BKK11 UT WOS:000268354600002 ER PT S AU Ward, RC Pouchard, LC Munro, NB Fischer, SK AF Ward, Richard C. Pouchard, Line C. Munro, Nancy B. Fischer, Sarah K. BE Cai, Y TI Virtual Human Problem-Solving Environments SO DIGITAL HUMAN MODELING: TRENDS IN HUMAN ALGORITHMS SE Lecture Notes in Artificial Intelligence LA English DT Article; Book Chapter DE Virtual Human; Virtual Soldier; problem-solving environments; human modeling and simulation; anatomy; physiology; graphical user interface ID MODEL; SIMULATION; FLUID; LUNG AB Interest in complex integrated digital or virtual human modeling has seen a significant increase over the last decade. Coincident with that increased interest, Oak Ridge National Laboratory (ORNL) initiated the development of a human simulation tool, the Virtual Human. The Virtual Human includes a problem-solving environment (PSE) for implementing the integration of physiological models in different programming languages and connecting physiological function to anatomy. The Virtual Human PSE (VHPSE) provides the computational framework with which to develop the concept of a "Virtual Human." Supporting the framework is a data definition for modeling parameters, PhysioML, a Virtual Human Database (VHDB), and a Web-based graphical user interface (GUI) developed using Java. Following description of the VHPSE, we discuss four example implementations of models within the framework. Further expansion of a human modeling environment was carried out in the Defense Advanced Research Projects Agency Virtual Soldier Project. SCIRun served as the Virtual Soldier problem solving environment (VSPSE). We review and compare specific developments in these projects that have significant potential for the future of Virtual Human modeling and simulation. We conclude with an evaluation of areas of future work that will provide important extensions to the VHPSE and VSPSE and make possible a fully-integrated environment for human anatomical and physiological modeling: the Virtual Human. C1 [Ward, Richard C.; Fischer, Sarah K.] Oak Ridge Natl Lab, Computat Sci & Engn Div, Oak Ridge, TN 37831 USA. [Pouchard, Line C.] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. [Munro, Nancy B.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Ward, RC (reprint author), Oak Ridge Natl Lab, Computat Sci & Engn Div, POB 2008, Oak Ridge, TN 37831 USA. EM wardrcl@ornl.gov; pouchardlc@ornl.gov; munronb@ornl.gov; fischersk1@ornl.gov NR 33 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 978-3-540-89429-2 J9 LECT NOTES ARTIF INT PY 2008 VL 4650 BP 108 EP 132 D2 10.1007/978-3-540-89430-8 PG 25 WC Computer Science, Artificial Intelligence SC Computer Science GA BKK11 UT WOS:000268354600007 ER PT S AU Williams, MB Ridy, PG More, MJ Harvey, JA Majewski, S Proffitt, J McKisson, J Stolin, A Kross, B Stewart, A Bullard, E Kankaria, M Janer, R AF Williams, Mark B. Ridy, Patricia G. More, Mitali J. Harvey, Jennifer A. Majewski, Stan Proffitt, James McKisson, John Stolin, Alexander Kross, Brian Stewart, Alexander Bullard, Edward Kankaria, Manish Janer, Roman BE Krupinski, EA TI Tomographic dual modality breast scanner SO DIGITAL MAMMOGRAPHY, PROCEEDINGS SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 9th International Workshop on Digital Mammography CY JUL 20-23, 2008 CL Tucson, AZ DE dual modality; tomosynthesis limited angle tomography; molecular breast imaging; breast scintigraphy ID POSITRON EMISSION MAMMOGRAPHY; DIGITAL TOMOSYNTHESIS; DETECTOR; PHANTOM; RESOLUTION; CANCER; IMAGER AB We are developing it breast scanner that obtains co-registered dual modality tomographic images of the breast using x-ray imaging (digital breast tomosynthesis) and gamma emission imaging (limited angle breast SPECT). The project is a collaborative effort among the Jefferson Lab (Newport News, VA), Dexela Ltd.. (Sudbury MA), and the University of Virginia (UVa) (Charlottesville, VA). The scanner is currently undergoing pilot clinical evaluation at UVa's Breast Care Center. Here we report on the design of the scanner, choice of acquisition parameters, and present some early phantom and human breast images. C1 [Williams, Mark B.; Ridy, Patricia G.; More, Mitali J.; Harvey, Jennifer A.] Univ Virginia, Dept Radiol, Charlottesville, VA 22903 USA. [Majewski, Stan; Proffitt, James; McKisson, John; Stolin, Alexander; Kross, Brian] Jefferson Lab, Newport News, VA USA. [Stewart, Alexander; Bullard, Edward; Kankaria, Manish; Janer, Roman] Dexela Ltd, London, England. RP Williams, MB (reprint author), Univ Virginia, Dept Radiol, Charlottesville, VA 22903 USA. EM mbwilliams@virginia.edu FU Susan [IMG99003050, IMG0402326]; National Institutes of Health [CA69452]; US Army Medical Research and Materiel Command [BC980469]; Kincaid Foundation and the Patients and Friends Challenge via the UVa Cancer Center; DOE Office of Biological and Environmental Research in the Office of Science; DOE Office of Nuclear Physics FX This project is funded in part by Susan G. Komen for the Cure (IMG99003050, IMG0402326), the National Institutes of Health (R01 CA69452), the US Army Medical Research and Materiel Command (BC980469), the Kincaid Foundation and the Patients and Friends Challenge via the UVa Cancer Center. Additional support was provided by the DOE Office of Biological and Environmental Research in the Office of Science and the DOE Office of Nuclear Physics. NR 25 TC 5 Z9 5 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-540-70537-6 J9 LECT NOTES COMPUT SC PY 2008 VL 5116 BP 99 EP + PG 3 WC Computer Science, Artificial Intelligence; Computer Science, Theory & Methods; Imaging Science & Photographic Technology; Radiology, Nuclear Medicine & Medical Imaging SC Computer Science; Imaging Science & Photographic Technology; Radiology, Nuclear Medicine & Medical Imaging GA BID15 UT WOS:000258502700015 ER PT S AU Yu, KM Scarpulla, MA Shan, W Wu, J Beeman, JW Jasinski, J Liliental-Weber, Z Dubon, OD Walukiewicz, W AF Yu, K. M. Scarpulla, M. A. Shan, W. Wu, J. Beeman, J. W. Jasinski, J. Liliental-Weber, Z. Dubon, O. D. Walukiewicz, W. BE Erol, A TI Energetic Beam Synthesis of Dilute Nitrides and Related Alloys SO DILUTE III-V NITRIDE SEMICONDUCTORS AND MATERIAL SYSTEMS: PHYSICS AND TECHNOLOGY SE Springer Series in Materials Science LA English DT Article; Book Chapter ID N ION-IMPLANTATION; ELECTRONIC BAND-STRUCTURE; HIGHLY MISMATCHED ALLOYS; SOLAR-CELLS; THIN-FILMS; NITROGEN INCORPORATION; EPITAXIAL GAN(X)AS1-X; ELECTRICAL-ACTIVITY; MUTUAL PASSIVATION; OPTICAL-PROPERTIES AB Group III-V dilute nitrides, III-N-x-V1-x (with x up to 0.10) have exhibited many unusual properties as compared to conventional semiconductor alloys. Here we review studies on the synthesis of group III-V dilute nitrides by a highly nonequilibrium method: the combination of ion implantation, pulsed-laser melting (PLM), and rapid thermal annealing (RTA). Using this method, the formation of a wide variety of III-N-x-V1-x alloys including GaNxAs1-x, InNxP1-x, AlyGa1-yNxAs1-x, and GaNxAs1-x-yPy has been synthesized and their optical properties investigated. In particular, ion implantation followed by PLM has been successful in forming thermally stable thin films of GaNxAs1-x with x as high as 0.016 and structural and optical properties comparable to films grown by epitaxial deposition techniques with similar substitutional N content. Using the implantation, PLM technique group II-VI dilute oxide (II-O-VI) semiconductors, a direct analogue of the III-V diluted nitrides, have also been formed. In Zn1-xMnxTe, where the O level ties below the conduction band edge, it was demonstrated that incorporation of a small amount of oxygen leads to the formation of a narrow, oxygen-derived band of extended states located well below the conduction band edge of the ZnMnTe matrix. The three absorption edges of this material (similar to 0.73, 1.83, and 2.56 eV) cover the entire solar spectrum providing a material envisioned for the multiband, single junction, high-efficiency photovoltaic devices. C1 [Yu, K. M.; Wu, J.; Liliental-Weber, Z.; Dubon, O. D.; Walukiewicz, W.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Elect Mat Program, Berkeley, CA 94720 USA. [Scarpulla, M. A.] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA. [Wu, J.; Dubon, O. D.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Shan, W.] Intematix Inc, Fremont, CA 94538 USA. [Jasinski, J.] Univ Calif Merced, Sch Engn, Merced, CA 95344 USA. RP Yu, KM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Elect Mat Program, Berkeley, CA 94720 USA. EM kmyu@lbl.gov; mikes@engineering.ucsb.edu; wshan@intematix.com; wuj@berkeley.edu; JWBeeman@lbl.gov; jjasinski@ucmerced.edu; Z_Liliental-Weber@lbl.gov; oddubon@berkeley.edu; W_Walukiewicz@lbl.gov RI Wu, Junqiao/G-7840-2011 OI Wu, Junqiao/0000-0002-1498-0148 NR 92 TC 0 Z9 0 U1 0 U2 2 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0933-033X BN 978-3-540-74528-0 J9 SPRINGER SER MATER S PY 2008 VL 105 BP 1 EP 34 D2 10.1007/978-3-540-74529-7 PG 34 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Optics; Physics, Applied SC Engineering; Materials Science; Optics; Physics GA BJM13 UT WOS:000266789300001 ER PT S AU Walukiewicz, W Alberi, K Wu, J Shan, W Yu, KM Ager, JW AF Walukiewicz, W. Alberi, K. Wu, J. Shan, W. Yu, K. M. Ager, J. W., III BE Erol, A TI Electronic Band Structure of Highly Mismatched Semiconductor Alloys SO DILUTE III-V NITRIDE SEMICONDUCTORS AND MATERIAL SYSTEMS: PHYSICS AND TECHNOLOGY SE Springer Series in Materials Science LA English DT Article; Book Chapter ID MOLECULAR-BEAM EPITAXY; N ION-IMPLANTATION; COMPOSITION DEPENDENCE; GAINNAS ALLOYS; QUANTUM-WELLS; TEMPERATURE-DEPENDENCE; GALLIUM PHOSPHIDE; CONDUCTION-BAND; GAP REDUCTION; THIN-FILMS AB The large changes in the electronic structure in dilute III-V nitrides and other semiconductor alloys containing isoelectronic impurities of high electronegativity or low ionization energy can be explained by the band anticrossing model. Interaction between the localized levels introduced by a highly electronegative impurity, such as N in GaNxAs1-x, and the delocalized states of the host semiconductor causes a restructuring of the conduction band into E+ and E- subbands, which in this case effectively lowers the conduction band edge of the alloy. This restructuring is not only responsible for the reduction of the fundamental band gap energy but also accounts for the direct band gap nature in GaNxP1-x, and the enhanced electron effective mass observed in GaNxAs1-x. Conversely, the incorporation of large-sized isoelectronic impurities with low ionization energy into III-V and II-VI compounds is found to induce a restructuring of the host valence band by the same anticrossing mechanism. Integration of the conduction and valence band anticrossing models provides an accurate description of the electronic structure of these alloys across their entire composition range. C1 [Walukiewicz, W.; Alberi, K.; Wu, J.; Yu, K. M.; Ager, J. W., III] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Elect Mat Program, Berkeley, CA 94720 USA. [Alberi, K.; Wu, J.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Shan, W.] Intematix Inc, Fremont, CA 94538 USA. RP Walukiewicz, W (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Elect Mat Program, Berkeley, CA 94720 USA. EM W_Walukiewicz@lbl.gov; kalberi@berkeley.edu; wuj@berkeley.edu; wshan@intematix.com; kmyu@lbl.gov; JWAger@lbl.gov RI Wu, Junqiao/G-7840-2011 OI Wu, Junqiao/0000-0002-1498-0148 NR 65 TC 4 Z9 4 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0933-033X BN 978-3-540-74528-0 J9 SPRINGER SER MATER S PY 2008 VL 105 BP 65 EP 89 D2 10.1007/978-3-540-74529-7 PG 25 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Optics; Physics, Applied SC Engineering; Materials Science; Optics; Physics GA BJM13 UT WOS:000266789300003 ER PT S AU Demkowicz, MJ Wang, J Hoagland, RG AF Demkowicz, Michael J. Wang, Jian Hoagland, Richard G. BE Hirth, JP TI Interfaces Between Dissimilar Crystalline Solids SO DISLOCATIONS IN SOLIDS: A TRIBUTE TO F. R. N. NABARRO, VOL 14 SE Dislocations in Solids LA English DT Article; Book Chapter ID EMBEDDED-ATOM METHOD; NANOSCALE CU/NB MULTILAYERS; FCC-BCC BOUNDARIES; METALLIC COMPOSITES; THREADING DISLOCATIONS; MISFIT DISLOCATIONS; SURFACE STEPS; THIN-FILMS; DEFECTS; MECHANISMS C1 [Demkowicz, Michael J.; Wang, Jian; Hoagland, Richard G.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Demkowicz, MJ (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. NR 71 TC 78 Z9 78 U1 1 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1572-4859 BN 978-0-08-056498-2; 978-0-44-453166-7 J9 DISCLOC SOLIDS PY 2008 VL 14 BP 141 EP 205 DI 10.1016/S1572-4859(07)00003-4 PG 65 WC Materials Science, Multidisciplinary SC Materials Science GA BCP52 UT WOS:000310966700004 ER PT B AU Podhorszki, N Klasky, S AF Podhorszki, Norbert Klasky, Scott BE Kacsuk, P Lovas, R Nemeth, Z TI Workflows in a secure environment SO DISTRIBUTED AND PARALLEL SYSTEMS: IN FOCUS: DESKTOP GRID COMPUTING LA English DT Proceedings Paper CT 7th International Conference on Distributed and Parallel Systems CY SEP, 2008 CL HUNGARY AB Petascale simulations on the largest supercomputers in the US require advanced data management techniques in order to optimize the application scientist time, and to optimize the time spent on the supercomputers. Researchers in such problems are starting to require workflow automation during their simulations in order to monitor the simulations, and in order to automate many of the complex analysis which must take place from the data that is generated from these Simulations. Scientific workflows are being used to monitor simulations running on these supercomputers by applying a series of complex analysis, and finally producing images and movies from the variables produced in the simulation, or from the derived quantities produced by the analysis. The typical scenario is where the large calculation runs on the supercomputer, and the auxiliary diagnostics/monitors are run on resources, which are either on the local area network of the supercomputer, or over the wide area network. The supercomputers at one of the largest centers are highly secure, and the only method to log into the center is interactive authentication by using One Time Passwords (OTP) that are generated by a security device and expire in half a minute. Therefore, grid certificates are not a current option on these machines in the Department of Energy at Oak Ridge National Laboratory. In this paper we describe how we have extended the Kepler scientific workflow management system to be able to run operations on these supercomputers, how workflows themselves can be executed as batch jobs, and finally, how external data-transfer operations can be utilized when they need to perform authentication for their own as well. C1 [Podhorszki, Norbert; Klasky, Scott] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Podhorszki, N (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN USA. NR 13 TC 0 Z9 0 U1 0 U2 3 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-0-387-79447-1 PY 2008 BP 143 EP 153 DI 10.1007/978-0-387-79448-8_13 PG 11 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA BIF10 UT WOS:000259036800013 ER PT J AU Adhikari, S Kennel, SJ Roy, G Mitra, PS Mitra, S Roy, R AF Adhikari, Sanjay Kennel, Stephen J. Roy, Gargi Mitra, Partha S. Mitra, Sankar Roy, Rabindra TI Discrimination of lesion removal of N-methylpurine-DNA glycosylase revealed by a potent neutralizing monoclonal antibody SO DNA REPAIR LA English DT Article DE MPG; inhibition; substrate specificity; epitope mapping; base excision repair ID BASE EXCISION-REPAIR; HUMAN 3-METHYLADENINE-DNA GLYCOSYLASE; ESCHERICHIA-COLI; SUBSTRATE-BINDING; ENDONUCLEASE-III; MOUSE; ENZYME; PURIFICATION; RESIDUES; SPECIFICITY AB N-Methylpurine-DNA glycosylase (MPG), a ubiquitous DNA repair enzyme, initiates excision repair of several N-alkylpurine adducts, induced by alkylating chemotherapeutics, and deaminated and lipid peroxidation-induced purine adducts. We have generated monoclonal antibodies (moAbs) against human MPG. Twelve independent hybridoma clones were characterized, which, except 520-16A, are identical based on epitope exclusion assay. Four moAbs, including 520-2A, 520-3A, 520-16A, and 520-26A, have high affinity (KD similar to 0.3-1.6 nM), and their subtypes were IgG(2a), IgG(1), IgG(2a), and IgG(2b), respectively. moAb 520-3A recognizes the sequence (52)AQAPCPRERCLGPP(66)T, an epitope exclusively present in the N-terminal extension of human MPG. We found that moAb 520-3A significantly inhibited MPG's enzymatic activity towards different substrates, such as hypoxanthine, 1,N(6)ethenoadenine and methylated bases, which represent different classes of DNA damage, however, with different efficiencies. Real-time binding experiments using surface plasmon resonance (SPR) spectroscopy showed that the pronounced inhibition of activity was not in the substrate-binding step. Single turnover kinetics (STO) revealed that the inhibition was at the catalytic step. Since we found that this antibody has an epitope in the N-terminal tail, the latter appears to have an important role in substrate discrimination, however, with a differential effect on different substrates. (C) 2007 Elsevier B.V. All rights reserved. C1 [Adhikari, Sanjay; Roy, Gargi; Mitra, Partha S.; Roy, Rabindra] Georgetown Univ, Lombardi Comprehens Canc Ctr, Dept Oncol, Washington, DC 20057 USA. [Kennel, Stephen J.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Mitra, Sankar] Univ Texas Galveston, Med Branch, Sealy Ctr Mol Sci, Galveston, TX 77555 USA. RP Roy, R (reprint author), Georgetown Univ, Lombardi Comprehens Canc Ctr, Dept Oncol, Washington, DC 20057 USA. EM rr228@georgetown.edu FU NCI NIH HHS [R01 CA053791, R01 CA113447, R01 CA 92306, R01 CA092306, R01 CA092306-01A2, R01 CA 53791] NR 36 TC 6 Z9 6 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1568-7864 J9 DNA REPAIR JI DNA Repair PD JAN 1 PY 2008 VL 7 IS 1 BP 31 EP 39 DI 10.1016/j.dnarep.2007.07.012 PG 9 WC Genetics & Heredity; Toxicology SC Genetics & Heredity; Toxicology GA 249MM UT WOS:000252232600004 PM 17768096 ER PT J AU Pluth, JM Yamazaki, V Cooper, BA Rydberg, BE Kirchgessner, CU Cooper, PK AF Pluth, Janice M. Yamazaki, Vikky Cooper, Brian A. Rydberg, Bjorn E. Kirchgessner, Cordula U. Cooper, Priscilla K. TI DNA double-strand break and chromosomal rejoining defects with misrejoining in Nijmegen breakage syndrome cells SO DNA REPAIR LA English DT Article DE Nbs1; MRN complex; DNA double-strand break repair; misrejoining; PCC fragments; translocations ID PHOSPHORYLATED HISTONE H2AX; ATAXIA-TELANGIECTASIA; HUMAN FIBROBLASTS; HOMOLOGOUS RECOMBINATION; DAMAGE RESPONSE; SACCHAROMYCES-CEREVISIAE; GAMMA-H2AX FOCI; PROTEIN COMPLEX; REPAIR DEFECT; MRE11 COMPLEX AB NBS1-deficient cells exhibit pronounced radiosensitivity and defects in chromosome integrity after ionizing radiation (IR) exposure, yet show only a minor defect in DNA double-strand break (DSB) rejoining, leaving an as yet unresolved enigma as to the nature of the radiosensitivity of these cells. To further investigate the relationship between radiosensitivity, DSB repair, and chromosome stability we have compared cytological and molecular assays of DSB misrejoining and repair in NBS1-defective, wild type, and NBS1-complemented cells after IR damage. Our findings suggest a subtle defect in overall DSB rejoining in NBS1-defective cells and uniquely also reveal reduced ability of NBS1-defective cells to rejoin correct ends of DSBs. In agreement with published results, one of two different NBS1-defective cell lines showed a slight defect in overall rejoining of DSBs compared to its complemented counterpart, whereas another NBS line did not show any difference from wild type cells. Significant defects in the Correct rejoining of DSBs compared to their respective controls were observed for both NBS1-defective lines. The defect in DSB rejoining and the increased misrejoining detected at the molecular level were also reflected in higher levels of fragments and translocations, respectively, at the chromosomal level. This work provides both molecular and cytological evidence that NBS1-deficient cells have defects in DSB processing and reveals that these molecular events can be manifest cytologically. (C) 2007 Elsevier B.V. All rights reserved. C1 [Pluth, Janice M.; Cooper, Brian A.; Rydberg, Bjorn E.; Cooper, Priscilla K.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. [Yamazaki, Vikky] Synamem Corp, Burlingame, CA USA. [Kirchgessner, Cordula U.] Stanford Univ, Sch Med, Dept Radiat Oncol, Canc Biol Res Lab, Stanford, CA USA. RP Pluth, JM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM jmpluth@lbl.gov FU NCI NIH HHS [CA75401, CA80207]; NIGMS NIH HHS [5-T32-GM08294] NR 50 TC 14 Z9 15 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1568-7864 J9 DNA REPAIR JI DNA Repair PD JAN 1 PY 2008 VL 7 IS 1 BP 108 EP 118 DI 10.1016/j.dnarep.2007.08.004 PG 11 WC Genetics & Heredity; Toxicology SC Genetics & Heredity; Toxicology GA 249MM UT WOS:000252232600012 PM 17919995 ER PT J AU Moschler, WW Hanson, GR AF Moschler, William W. Hanson, Gregory R. TI Microwave moisture measurement system for hardwood lumber drying SO DRYING TECHNOLOGY LA English DT Article; Proceedings Paper CT 10th IUFRO International Wood Drying Conference CY AUG, 2007 CL Orono, ME SP IUFRO DE hardwood; kiln dry; microwave; moisture content; moisture sensor AB The goal of this project was to develop a prototype microwave-based moisture sensor system suitable for the kiln drying of hardwood lumber. The moisture sensors developed are battery powered and are capable of communicating with a host kiln control system via spread spectrum wireless communications. We have developed two designs of the sensors working at 4.5 to 6GHz with linear response to moisture content (MC) over a range of 6-100%. These sensors allow us to make a swept frequency microwave transmission measurement through a small area of a board. Using the prototype electronics and sensors, we have obtained measurements of MC over the above MC range for red oak and yellow poplar with standard deviations of less than 1.5% MC. We have developed data for board thickness corrections and for temperature corrections for the MC measurement system. C1 [Moschler, William W.] Univ Tennessee, Tennessee Forest Prod Ctr, Knoxville, TN 37996 USA. [Hanson, Gregory R.] Oak Ridge Natl Lab, RF & Microwave Syst Grp, Oak Ridge, TN USA. RP Moschler, WW (reprint author), Univ Tennessee, Tennessee Forest Prod Ctr, 2506 Jacob Dr, Knoxville, TN 37996 USA. EM bmoschle@utk.edu NR 7 TC 6 Z9 6 U1 0 U2 4 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0737-3937 J9 DRY TECHNOL JI Dry. Technol. PY 2008 VL 26 IS 9 BP 1155 EP 1159 DI 10.1080/07373930802266264 PG 5 WC Engineering, Chemical; Engineering, Mechanical SC Engineering GA 336NM UT WOS:000258370900014 ER PT S AU Nutaro, J Jarboe, S Zeigler, B Fulton, D AF Nutaro, James Jarboe, Stephanie Zeigler, Bernard Fulton, Dale BE Roberts, D ElSaddik, A Ferscha, A TI A Method for Generating Synthetic Air Tracks SO DS-RT 2008: 12TH 2008 IEEE/ACM INTERNATIONAL SYMPOSIUM ON DISTRIBUTED SIMULATION AND REAL TIME APPLICATIONS, PROCEEDINGS SE IEEE ACM International Symposium on Distributed Simulation and Real-Time Applications LA English DT Proceedings Paper CT 12th IEEE/ACM International Symposium on Distributed Simulation and Real Time Applications CY OCT 27-29, 2008 CL Vancouver, CANADA SP IEEE, ACM, IEEE Comp Soc, Tech Comm Parallel Proc, IEEE Comp Soc,Tecn Comm Simulat, IEEE Comp Soc,Tech Comm Comp Architect, ACM SIGSIM AB This paper describes a method for creating synthetic air tracks without the aide of a sophisticated simulator The proposed method creates a position and velocity Junction for an aircraft given its starting location and speed, altitude, and heading on each leg of its flight. An optimization procedure is used to fit the position and velocity Junctions to the supplied data. Several examples of tracks produced by the method are shown in the paper The synthetic tracks that are produced by this method can be used to facilitate testing of command and controls systems and to enhance any simulation that requires air tracks that satisfy specific constraints on time, speed, and position. C1 [Nutaro, James] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Jarboe, Stephanie; Zeigler, Bernard] Arizon Ctr Integrat Model & Simulat, Tucson, AZ 85701 USA. [Fulton, Dale] Joint Interoperabil Test Command, Ft Huachuca, AZ USA. RP Nutaro, J (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM nutarojj@ornl.gov; sjarboe@email.arizona.edu; zeigler@ece.arizona.edu; dale.fulton.cr@disa.mil OI Nutaro, James/0000-0001-7360-2836 FU UT-Battelle, LLC [DE-AC05-00OR22725]; U.S. Department of Energy FX This manuscript has been authored by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 6 TC 0 Z9 0 U1 0 U2 0 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA SN 1550-6525 BN 978-0-7695-3425-1 J9 IEEE ACM DIS SIM PY 2008 BP 245 EP + DI 10.1109/DS-RT.2008.19 PG 2 WC Computer Science, Hardware & Architecture; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BIT44 UT WOS:000262507400030 ER PT S AU Sun, Y Nutaro, J AF Sun, Yi Nutaro, James BE Roberts, D ElSaddik, A Ferscha, A TI Performance Improvement Using Parallel Simulation Protocol and Time Warp for DEVS Based Applications SO DS-RT 2008: 12TH 2008 IEEE/ACM INTERNATIONAL SYMPOSIUM ON DISTRIBUTED SIMULATION AND REAL TIME APPLICATIONS, PROCEEDINGS SE IEEE ACM International Symposium on Distributed Simulation and Real-Time Applications LA English DT Proceedings Paper CT 12th IEEE/ACM International Symposium on Distributed Simulation and Real Time Applications CY OCT 27-29, 2008 CL Vancouver, CANADA SP IEEE, ACM, IEEE Comp Soc, Tech Comm Parallel Proc, IEEE Comp Soc,Tecn Comm Simulat, IEEE Comp Soc,Tech Comm Comp Architect, ACM SIGSIM AB DEVS is a formalism intended to model both discrete and continuous systems. The use of discrete events, rather than time steps, as the basis for simulation has been shown to reduce the computation time in many applications. parallel DEVS is an extension to standard DEVS, which provides means to handle simultaneous scheduling. In this paper, we present an implementation of the parallel DEVS simulation protocol that uses a modified Time Warp optimistic algorithm for shared memory multiprocessor machine. This implementation is designed to execute the DEVS models in parallel and, at the same time to correctly simulate every model defined in terms of DEVS specification. Two test cases and the DEVSFIRE example are used to verify this algorithm. Preliminary experimental results at-e presented that show the implementation can speedup a DEVS simulation. C1 [Sun, Yi] Georgia State Univ, Dept Comp Sci, 34 Peachtree St,Suite 1405, Atlanta, GA 30303 USA. [Nutaro, James] Oak Ridge Natl Lab, Dept Comp & Engn, Oak Ridge, TN 37831 USA. RP Sun, Y (reprint author), Georgia State Univ, Dept Comp Sci, 34 Peachtree St,Suite 1405, Atlanta, GA 30303 USA. EM syish@hotmail.com; nutarojj@ornl.gov OI Nutaro, James/0000-0001-7360-2836 NR 21 TC 0 Z9 0 U1 0 U2 0 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA SN 1550-6525 BN 978-0-7695-3425-1 J9 IEEE ACM DIS SIM PY 2008 BP 277 EP + DI 10.1109/DS-RT.2008.24 PG 3 WC Computer Science, Hardware & Architecture; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BIT44 UT WOS:000262507400034 ER PT J AU Lobell, DB Bonfils, C Faures, JM AF Lobell, David B. Bonfils, Celine Faures, Jean-Marc TI The role of irrigation expansion in past and future temperature trends SO EARTH INTERACTIONS LA English DT Article DE land use; climate ID GREAT-PLAINS; CLIMATE; WATER AB Expansion of irrigated land can cause local cooling of daytime temperatures by up to several degrees Celsius. Here the authors compare the expected cooling associated with rates of irrigation expansion in developing countries for historical (1961-2000) and future (2000-30) periods with climate model predictions of temperature changes from other forcings, most notably increased atmospheric greenhouse gas levels, over the same periods. Indirect effects of irrigation on climate, via methane production in paddy rice systems, were not considered. In regions of rapid irrigation growth over the past 40 yr, such as northwestern India and northeastern China, irrigation's expected cooling effects have been similar in magnitude to climate model predictions of warming from greenhouse gases. A masking effect of irrigation can therefore explain the lack of significant increases in observed growing season maximum temperatures in these regions and the apparent discrepancy between observations and climate model simulations. Projections of irrigation for 2000 - 30 indicate a slowing of expansion rates, and therefore cooling from irrigation expansion over this time period will very likely be smaller than in recent decades. At the same time, warming from greenhouse gases will likely accelerate, and irrigation will play a relatively smaller role in agricultural climate trends. In many irrigated regions, therefore, temperature projections from climate models, which generally ignore irrigation, may be more accurate in predicting future temperature trends than their performance in reproducing past observed trends in irrigated regions would suggest. C1 [Lobell, David B.] Stanford Univ, Program Food Secur & Environm, Stanford, CA 94305 USA. [Bonfils, Celine] Lawrence Livermore Natl Lab, Livermore, CA USA. [Faures, Jean-Marc] Food & Agr Org, Land & Water Div, Rome, Italy. RP Lobell, DB (reprint author), Stanford Univ, Program Food Secur & Environm, Y2E2 Bldg,MC4205,473 Via Ortega, Stanford, CA 94305 USA. EM dlobell@stanford.edu RI Bonfils, Celine/H-2356-2012 OI Bonfils, Celine/0000-0002-4674-5708 NR 22 TC 16 Z9 16 U1 2 U2 7 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 1087-3562 J9 EARTH INTERACT JI Earth Interact. PY 2008 VL 12 BP 1 EP 11 AR 3 DI 10.1175/2007EI241.1 PG 11 WC Geosciences, Multidisciplinary SC Geology GA 311ZU UT WOS:000256639700001 ER PT J AU Ruane, AC Roads, JO AF Ruane, Alex C. Roads, John O. TI Diurnal to annual precipitation sensitivity to convective and land surface schemes SO EARTH INTERACTIONS LA English DT Article ID ENERGY BUDGETS; UNITED-STATES; MODEL; REANALYSIS; WATER; CYCLE; CEOP; SIMULATIONS; MOISTURE AB Precipitation's diurnal to annual variance distribution and atmospheric water cycle component interactions are examined globally for sensitivity to convective and land surface schemes. The main regional features of statistics identified in previous reanalyses are robust in unconstrained continuous simulations corresponding to the reanalyses' convective and land surface schemes. A change from the simplified Arakawa-Schubert (SAS) to the relaxed Arakawa-Schubert (RAS) convection scheme reorganizes the variance of rainfall at low latitudes to a redder spectrum. Despite the potential increase in soil moisture memory, a change from the Oregon State University (OSU2) to the Noah land surface model does not noticeably affect the variance distribution of land surface model does not noticeably affect the variance distribution of precipitation. The competition between dynamic and thermodynamic. C1 [Ruane, Alex C.] Oak Ridge Associated Univ, NASA, Goddard Inst Space Studies, Natl Aeronaut & Space Adm Postdoctoral Program, New York, NY 10025 USA. [Ruane, Alex C.; Roads, John O.] Univ Calif San Diego, Expt Climate Predict Ctr, Scripps Inst Oceanog, San Diego, CA 92103 USA. RP Ruane, AC (reprint author), Oak Ridge Associated Univ, NASA, Goddard Inst Space Studies, Natl Aeronaut & Space Adm Postdoctoral Program, 2880 Broadway, New York, NY 10025 USA. EM aruane@giss.nasa.gov NR 24 TC 0 Z9 0 U1 2 U2 4 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 1087-3562 J9 EARTH INTERACT JI Earth Interact. PY 2008 VL 12 AR 5 DI 10.1175/2008EI256.1 PG 13 WC Geosciences, Multidisciplinary SC Geology GA 320PC UT WOS:000257246300001 ER PT J AU Breshears, DD McDowell, NG Goddard, KL Dayem, KE Martens, SN Meyer, CW Brown, KM AF Breshears, David D. McDowell, Nathan G. Goddard, Kelly L. Dayem, Katherine E. Martens, Scott N. Meyer, Clifton W. Brown, Karen M. TI Foliar absorption of intercepted rainfall improves woody plant water status most during drought SO ECOLOGY LA English DT Article DE climate change impacts; Juniperus monosperma; plant physiological ecology; plaw water potential; vegetation dynamics ID OXYGEN-ISOTOPE RATIOS; JUNIPERUS-MONOSPERMA; FUNCTIONAL TYPES; SOIL-MOISTURE; PINUS-EDULIS; ECOSYSTEMS; PULSES; FOREST; LEAVES; XYLEM AB A large proportion of rainfall in dryland ecosystems is intercepted by plant foliage and is generally assumed to evaporate to the atmosphere or drip onto the soil surface without being absorbed. We demonstrate foliar absorption of intercepted rainfall in a widely distributed, continental dryland, woody-plant genus: Juniperus. We observed substantial improvement in plant water status, exceeding 1.0 MPa water potential for drought-stressed plants, following precipitation on an experimental plot that excluded soil water infiltration. Experiments that wetted shoots with unlabeled and with isotopically labeled water confirmed that water potential responded substantially to foliar wetting, that these responses were not attributable to re-equilibration with other portions of the xylem, and that magnitude of response increased with water stress. Foliar absorption is not included in most ecological, hydrological, and atmospheric models; has implications for interpreting plant isotopic signatures; and not only supplements water acquisition associated with increases in soil Moisture that follow large or repeated precipitation events, but also enables plants to bypass soil water uptake and benefit from the majority of precipitation events, which wet foliage but do not increase soil moisture substantially. Foliar absorption of intercepted water could be more important than previously appreciated, especially during drought when water stress is greatest. C1 [Breshears, David D.] Univ Arizona, Sch Nat Resources, Inst Study Planet Earth, Tucson, AZ 85721 USA. [Breshears, David D.] Univ Arizona, Dept Ecol & Evolutionary Biol, Tucson, AZ 85721 USA. [McDowell, Nathan G.; Meyer, Clifton W.; Brown, Karen M.] Los Alamos Natl Lab, Div Earth & Environm Sci, Los Alamos, NM 87545 USA. [Dayem, Katherine E.] Univ Colorado, Dept Geol Sci, Boulder, CO 80309 USA. RP Breshears, DD (reprint author), Univ Arizona, Sch Nat Resources, Inst Study Planet Earth, Tucson, AZ 85721 USA. EM daveb@email.arizona.edu RI Breshears, David/B-9318-2009 OI Breshears, David/0000-0001-6601-0058 NR 47 TC 70 Z9 76 U1 2 U2 50 PU ECOLOGICAL SOC AMER PI WASHINGTON PA 1990 M STREET NW, STE 700, WASHINGTON, DC 20036 USA SN 0012-9658 J9 ECOLOGY JI Ecology PD JAN PY 2008 VL 89 IS 1 BP 41 EP 47 DI 10.1890/07-0437.1 PG 7 WC Ecology SC Environmental Sciences & Ecology GA 270JN UT WOS:000253717200006 PM 18376545 ER PT J AU Dale, VH Akhtar, F Aldridge, M Baskaran, L Berry, M Browne, M Chang, M Efroymson, R Garten, C Lingerfelt, E Stewart, C AF Dale, Virginia H. Akhtar, Farhan Aldridge, Matthrew Baskaran, Latha Berry, Michael Browne, Murray Chang, Michael Efroymson, Rebecca Garten, Charles Lingerfelt, Eric Stewart, Catherine TI Modeling the Effects of Land Use on the Quality of Water, Air, Noise, and Habitat for a Five-County Region in Georgia SO ECOLOGY AND SOCIETY LA English DT Article DE gopher tortoise; land use; landscape change; longleaf pine; nutrient export; Red-cockaded Woodpecker; simulation ID CELLULAR-AUTOMATON MODEL; GOPHER TORTOISE; SAN-FRANCISCO; MANAGEMENT; NITROGEN; FOREST AB A computer simulation model, the Regional Simulator (RSim), was constructed to project how land-use changes affect the quality of water, air, noise, and habitat of species of special concern. RSim was designed to simulate these environmental impacts for five counties in Georgia that surround and include Fort Benning. The model combines existing data and modeling approaches to simulate the effects of land-cover changes on: nutrient export by hydrological unit; peak 8-h average ozone concentrations; noise caused by small arms and blasts; and habitat changes for the rare Red-cockaded Woodpecker (Picoides borealis) and gopher tortoise (Gopherus polyphemus). The model also includes submodules for urban growth, new urbanization influenced by existing roads, nonurban land cover transitions, and a new military training area under development at Fort Benning. The model was run under scenarios of business as usual (BAU) and greatly increased urban growth for the region. The projections show that the effects of high urban growth will likely differ from those of BAU for noise and nitrogen and phosphorus loadings to surface water, but not for peak airborne ozone concentrations, at least in the absence of associated increases in industry and transportation use or technology changes. In both scenarios, no effects of urban growth are anticipated for existing populations of the federally endangered Red-cockaded Woodpecker. In contrast, habitat for gopher tortoise in the five-county region is projected to decline by 5 and 40% in the BAU and high urban growth scenarios, respectively. RSim is designed to assess the relative environmental impacts of planned activities both inside and outside military installations and to address concerns related to encroachment and transboundary influences. C1 [Akhtar, Farhan; Chang, Michael] Georgia Inst Technol, Atlanta, GA 30332 USA. [Aldridge, Matthrew; Berry, Michael; Browne, Murray; Lingerfelt, Eric] Univ Tennessee, Knoxville, TN 37996 USA. [Baskaran, Latha; Efroymson, Rebecca; Garten, Charles] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Stewart, Catherine] Aberdeen Proving Ground, Aberdeen, Scotland. RI Dale, Virginia/B-6023-2009; Baskaran, Latha/D-9754-2016 OI Baskaran, Latha/0000-0001-8487-3914 NR 23 TC 2 Z9 2 U1 1 U2 9 PU RESILIENCE ALLIANCE PI WOLFVILLE PA ACADIA UNIV, BIOLOGY DEPT, WOLFVILLE, NS B0P 1X0, CANADA SN 1708-3087 J9 ECOL SOC JI Ecol. Soc. PY 2008 VL 13 IS 1 AR 10 PG 22 WC Ecology; Environmental Studies SC Environmental Sciences & Ecology GA 376IA UT WOS:000261176100020 ER PT S AU Wang, JA Rao, NSV Konduri, S AF Wang, J. A. Rao, N. S. V. Konduri, S. BE Lott, RG Busby, JT TI Information Fusion Embrittlement Models for US Power Reactor Pressure Vessel Steels SO EFFECTS OF RADIATION ON MATERIALS: 23RD INTERNATIONAL SYMPOSIUM SE American Society for Testing and Materials Special Technical Publications LA English DT Proceedings Paper CT 23rd International Symposium on Effects of Radiation on Materials CY JUN 13-15, 2006 CL San Jose, CA SP ASTM Int Comm E10 Nucl Technol & Applicat DE power reactor; reactor pressure vessel embrittlement; information fusion; radiation damage ID SENSOR AB A new approach of utilizing information fusion technique is developed to predict the radiation embrittlement of reactor pressure vessel steels. The Charpy transition temperature shift data contained in the Power Reactor Embrittlement Database is used in this study. Six parameters-Cu, Ni, P, neutron fluence, irradiation time, and irradiation temperature-are used in the embrittlement prediction models. The results indicate that this new embrittlement predictor achieved reductions of about 49.5 % and 52 % in the uncertainties for plate and weld data, respectively, for pressurized water reactor and boiling water reactor data, compared with the Nuclear Regulatory Commission Regulatory Guide 1.99, Rev. 2. The implications of dose-rate effect and irradiation temperature effects for the development of radiation embrittlement models are also discussed. C1 [Wang, J. A.; Rao, N. S. V.; Konduri, S.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Wang, JA (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM wangja@ornl.gov OI Rao, Nageswara/0000-0002-3408-5941; Wang, Jy-An/0000-0003-2402-3832 NR 25 TC 0 Z9 0 U1 0 U2 1 PU AMERICAN SOCIETY TESTING AND MATERIALS PI W CONSHOHOCKEN PA 100 BARR HARBOR DRIVE, W CONSHOHOCKEN, PA 19428-2959 USA SN 1040-1695 BN 978-0-8031-3421-8 J9 AM SOC TEST MATER PY 2008 VL 1492 BP 95 EP 118 DI 10.1520/STP46567S PG 24 WC Materials Science, Multidisciplinary; Materials Science, Characterization & Testing; Physics, Applied SC Materials Science; Physics GA BIT65 UT WOS:000262627400008 ER PT S AU Byun, TS Hashimoto, N AF Byun, T. S. Hashimoto, N. BE Lott, RG Busby, JT TI Strain Hardening During Mechanical Twinning and Dislocation Channeling in Irradiated 316 Stainless Steels SO EFFECTS OF RADIATION ON MATERIALS: 23RD INTERNATIONAL SYMPOSIUM SE American Society for Testing and Materials Special Technical Publications LA English DT Proceedings Paper CT 23rd International Symposium on Effects of Radiation on Materials CY JUN 13-15, 2006 CL San Jose, CA SP ASTM Int Comm E10 Nucl Technol & Applicat DE radiation effect; strain-hardening behavior; strain localization; dislocation channels; mechanical twins; long-range back stress; pileup dislocations ID LOW-TEMPERATURE IRRADIATION; TARGET CONTAINER MATERIALS; COPPER SINGLE CRYSTALS; POLYCRYSTALLINE METALS; DEFORMATION MICROSTRUCTURES; NEUTRON-IRRADIATION; LOCALIZED DEFORMATION; PLASTIC INSTABILITY; TENSILE PROPERTIES; STRESS AB Localized deformation mechanisms and strain-hardening behaviors in irradiated 316 and 316LN stainless steels were investigated, and a theoretical model was proposed to explain the linear strain-hardening behavior during the localized deformation. After low temperature irradiation to significant doses, the deformation microstructure changed from dislocation tangles to channels or mechanical twins. It was also observed that irradiation hardening straightened gliding dislocations and increased the tendency for forming pileups. Regardless of these microstructural changes, the strain-hardening behavior was relatively insensitive to the irradiation. This dose-independent strain-hardening rate resulted in dose independence of the true stress parameters, such as the plastic instability stress and true fracture stress. In the proposed model, the long-range back stress was formulated as a function of the number of pileup dislocations per slip band and the number of slip bands in a grain. The calculation results confirmed the experimental observation that strain-hardening rate was insensitive to the change in deformation mechanism because the long-range back stress hardening became as high as the hardening by tangled dislocations. C1 [Byun, T. S.; Hashimoto, N.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Byun, TS (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM byunts@ornl.gov NR 40 TC 1 Z9 1 U1 1 U2 9 PU AMERICAN SOCIETY TESTING AND MATERIALS PI W CONSHOHOCKEN PA 100 BARR HARBOR DRIVE, W CONSHOHOCKEN, PA 19428-2959 USA SN 1040-1695 BN 978-0-8031-3421-8 J9 AM SOC TEST MATER PY 2008 VL 1492 BP 121 EP 133 DI 10.1520/STP46568S PG 13 WC Materials Science, Multidisciplinary; Materials Science, Characterization & Testing; Physics, Applied SC Materials Science; Physics GA BIT65 UT WOS:000262627400009 ER PT S AU Heinisch, HL Gao, F Kurtz, RJ AF Heinisch, H. L. Gao, F. Kurtz, R. J. BE Lott, RG Busby, JT TI Modeling the Interaction of Helium with Dislocations and Grain Boundaries in Alpha-iron SO EFFECTS OF RADIATION ON MATERIALS: 23RD INTERNATIONAL SYMPOSIUM SE American Society for Testing and Materials Special Technical Publications LA English DT Proceedings Paper CT 23rd International Symposium on Effects of Radiation on Materials CY JUN 13-15, 2006 CL San Jose, CA SP ASTM Int Comm E10 Nucl Technol & Applicat DE iron; helium; molecular dynamics; dislocations; grain boundaries; computer simulation ID VACANCY CLUSTERS; FE; EMBRITTLEMENT; STEELS; ATOMS; HE AB Helium is a ubiquitous impurity in nuclear materials that can have significant deleterious effects on mechanical properties, including deformation and fracture. To determine ways to mitigate the effects of helium it is necessary to understand the behavior of helium with respect to its interaction with various microstructural features. Toward that end, we have employed molecular statics, molecular dynamics, and the dimer method of potential surface mapping to study the fate of helium in the vicinity of dislocations and grain boundaries in alpha-iron. Even at very low temperatures interstitial helium atoms can migrate to dislocations and grain boundaries, where they are strongly bound. The binding energies of helium to these microstructural features relative to the perfect crystal and the migration energies of helium diffusing within them have a strong correlation to the excess atomic volume that exists in these extended defects. Helium atom migration energies within the dislocations and grain boundaries studied are in the range of 0.4-0.5 eV. Helium "kick out" mechanisms have been identified within dislocations and grain boundaries by which interstitial helium atoms replace an Fe lattice atom, creating a stable He-vacancy complex that may be a nucleation site for an He bubble. C1 [Heinisch, H. L.; Gao, F.; Kurtz, R. J.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Heinisch, HL (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM hl.heinisch@pnl.gov RI Gao, Fei/H-3045-2012 NR 21 TC 2 Z9 2 U1 0 U2 19 PU AMERICAN SOCIETY TESTING AND MATERIALS PI W CONSHOHOCKEN PA 100 BARR HARBOR DRIVE, W CONSHOHOCKEN, PA 19428-2959 USA SN 1040-1695 BN 978-0-8031-3421-8 J9 AM SOC TEST MATER PY 2008 VL 1492 BP 190 EP 196 DI 10.1520/STP46573S PG 7 WC Materials Science, Multidisciplinary; Materials Science, Characterization & Testing; Physics, Applied SC Materials Science; Physics GA BIT65 UT WOS:000262627400014 ER PT S AU Gelles, DS Brewer, LN Kotula, PG Cowgill, DF Busick, CC Snow, CS AF Gelles, D. S. Brewer, L. N. Kotula, P. G. Cowgill, D. F. Busick, C. C. Snow, C. S. BE Lott, RG Busby, JT TI Microstructural Features in Aged Erbium Tritide Films SO EFFECTS OF RADIATION ON MATERIALS: 23RD INTERNATIONAL SYMPOSIUM SE American Society for Testing and Materials Special Technical Publications LA English DT Proceedings Paper CT 23rd International Symposium on Effects of Radiation on Materials CY JUN 13-15, 2006 CL San Jose, CA SP ASTM Int Comm E10 Nucl Technol & Applicat DE tritium decay; helium bubbles; Erbium tritide; microstructure ID HELIUM PLATELETS; NICKEL AB Erbium is used as a storage medium for tritium. Microstructural study of helium bubble generation from tritium decay in erbium tritide can provide an unusual example of bubble development with negligible radiation damage. Aged erbium tritide film specimens were found to contain five distinctly different microstructural features. The general structure was of large columnar grains of ErT(2). But on a fine scale, precipitates believed to be erbium oxy-tritides and helium bubbles could be identified. The precipitate size was in the range of similar to 10 nm and the bubbles were of an unusual planar shape on {111} planes with an invariant thickness of similar to 1 nm and a diameter on the order of 10 nm. Also, an outer layer containing no fine precipitate structure and only a few helium bubbles were present on the films. This layer is best described as a denuded zone which probably grew during aging in air. Finally, large embedded Er(2)O(3) particles were found at low density and nonuniformly distributed, but sometimes extending through the thickness of the film. A failure mechanism allowing the helium to escape is suggested by observed cracking between bubbles closer to end of life. C1 [Gelles, D. S.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Gelles, DS (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. NR 12 TC 0 Z9 1 U1 1 U2 4 PU AMERICAN SOCIETY TESTING AND MATERIALS PI W CONSHOHOCKEN PA 100 BARR HARBOR DRIVE, W CONSHOHOCKEN, PA 19428-2959 USA SN 1040-1695 BN 978-0-8031-3421-8 J9 AM SOC TEST MATER PY 2008 VL 1492 BP 219 EP 225 DI 10.1520/STP46576S PG 7 WC Materials Science, Multidisciplinary; Materials Science, Characterization & Testing; Physics, Applied SC Materials Science; Physics GA BIT65 UT WOS:000262627400017 ER PT S AU Sumali, H Allen, MS AF Sumali, Hartono Allen, Matthexv S. BE Tomasini, EP TI Apparent nonlinear effect of the microscope on the laser Doppler vibrometer SO EIGHTH INTERNATIONAL CONFERENCE ON VIBRATION MEASUREMENTS BY LASER TECHNIQUES: ADVANCES AND APPLICATIONS SE Proceedings of SPIE LA English DT Proceedings Paper CT 8th International Conference on Vibration Measurements by Laser Techniques CY JUN 18-20, 2008 CL Ancona, ITALY SP Italian Assoc Laser Velcimetry & Non Invas Diagnost, Univ Politecn Marche, Dipartimento Meccan DE Velocimeter; vibration; harmonic distortion AB One powerful method for measuring the motion of microelectromechanical systems (MEMS) relies on a Laser Doppler Vibrometer (LDV) focused through very an optical microscope. Recent data taken under a simple and common condition demonstrate that the velocity signal produced by the LDV with an optical microscope may be different from the velocity signal produced by the LDV without a microscope. This is especially important if one wishes to estimate acceleration by differentiating velocity. In this study, the time derivatives of LDV signals are compared against the signal from an accelerometer when the LDV is focused through an optical microscope and without the microscope system. The signal from the LDV without the microscope is almost identical to the accelerometer signal. In contrast. the signal from the LDV with the microscope exhibits a nonlinear relationship with the accelerometer signal. Both the LDV and the accelerometer were measuring a sinusoidal velocity generated by all electromechanical shaker. The Fourier transform of the acceleration from the LDV with the microscope shows a multitude of high harmonics of the excitation frequency, which have much higher amplitudes than the harmonics present in the accelerometer signal. Without the microscope, the LDV gives a much less distorted sinusoidal signal, even after time differentiation. The distortion of the signal from the LDV is periodic, with the same period as the sinusoidal drive signal. The largest distortion occurs near points of maximum negative acceleration, corresponding to the positive displacement peak of the sinusoidal oscillation. Because the measured oscillation is out of plane, pseudo-vibrations caused by speckle noise do not explain the distortion. Instead, the distortion appears to be caused by the optics of the microscope. C1 [Sumali, Hartono] Sandia Natl Labs, Albuquerque, NM 87111 USA. RP Sumali, H (reprint author), Sandia Natl Labs, MS 1070,POB 5800, Albuquerque, NM 87111 USA. EM hsumali@sandia.gov NR 8 TC 1 Z9 1 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 978-0-8194-7326-4 J9 PROC SPIE PY 2008 VL 7098 AR 709817 DI 10.1117/12.803165 PG 9 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA BIN12 UT WOS:000260992400040 ER PT J AU El-Refaie, AM Jahns, TM Mckeever, JW AF El-Refaie, Ayman M. Jahns, Thomas M. Mckeever, John W. TI Effect of back-emf constraints on fractional-slot surface PM machines designed for wide constant-power speed range operation SO ELECTRIC POWER COMPONENTS AND SYSTEMS LA English DT Article DE back-emf; concentrated winding; flux weakening; fractional-slot; surface permanent magnet synchronous machine; SPM ID PERMANENT-MAGNET MACHINES; CONCENTRATED WINDINGS AB This article investigates the tradeoffs that result from constraining the back-emf at maximum speed for fractional-slot surface permanent magnet (SPM) machines. Two 55 kW (peak) SPM machines designed to meet requirements established in the US FreedomCar program are used as the basis for this investigation. The two machines are 36-slot/30-pole SPM fractional-slot concentrated-winding designs that use sintered NdFeB magnets. The first design has no back-emf constraint at maximum speed, allowing it to exceed the 600 V pk l-l limit, while the second design has been designed to meet this requirement. Results of this study show that the introduction of back-emf limits can lead to significant increases in the SPM machine's rated current, with only a modest impact on the machines mass and volume. A combination of closed-form analysis and finite element analysis is used to carry out this investigation. C1 [El-Refaie, Ayman M.] Elect Machines & Drive Lab, GE Global Res Ctr, Niskayuna, NY 12309 USA. [Jahns, Thomas M.] Univ Wisconsin, Dept Elect & Comp Engn, Madison, WI 53706 USA. [Mckeever, John W.] Oak Ridge Natl Lab, Natl Transportat Res Ctr, Knoxville, TN USA. RP El-Refaie, AM (reprint author), Elect Machines & Drive Lab, GE Global Res Ctr, Niskayuna, NY 12309 USA. EM elrefaie@research.ge.com NR 13 TC 2 Z9 2 U1 0 U2 4 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 1532-5008 EI 1532-5016 J9 ELECTR POW COMPO SYS JI Electr. Power Compon. Syst. PY 2008 VL 36 IS 2 BP 124 EP 137 DI 10.1080/15325000701549012 PG 14 WC Engineering, Electrical & Electronic SC Engineering GA 250ZZ UT WOS:000252341300002 ER PT J AU Abraham, DP Spila, T Furczon, MM Sammann, E AF Abraham, D. P. Spila, T. Furczon, M. M. Sammann, E. TI Evidence of Transition-Metal Accumulation on Aged Graphite Anodes by SIMS SO ELECTROCHEMICAL AND SOLID STATE LETTERS LA English DT Article ID LITHIUM-ION CELLS; IMPEDANCE AB In cells containing Li(1.05)(Ni(1/3)Co(1/3)Mn(1/3))(0.95)O(2)-based positive and graphite-based negative electrodes, a significant portion of cell impedance rise on aging is known to be from the negative electrode. One possible reason for this impedance rise is the dissolution of transition-metal elements from the oxide electrode that accumulate and create a high-impedance layer at the negative electrode electrolyte interface. This article details dynamic secondary ion mass spectrometry (SIMS) measurements, which provide a relative comparison of Mn, Co, and Ni contents on fresh, formed, and aged graphite electrodes. The data clearly indicate that these transition-metal elements accumulate at the electrode surface and diffuse into the electrode during cell aging. (C) 2008 The Electrochemical Society. [DOI: 10.1149/1.2987680] All rights reserved. C1 [Abraham, D. P.; Furczon, M. M.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Spila, T.; Sammann, E.] Univ Illinois, Frederick Seitz Mat Res Lab, Urbana, IL 61801 USA. RP Abraham, DP (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM abraham@anl.gov FU U. S. Department of Energy [DEFG02-91ER45439] FX We acknowledge the use of the Center for Microanalysis of Materials (CMM) at the Frederick Seitz Materials Research Laboratory, which is partially supported by the U. S. Department of Energy under grant DEFG02-91ER45439. We acknowledge T. Duong and D. Howell at the U. S. Department of Energy, Office of Vehicle Technologies, for supporting this research. We are grateful for helpful discussions with G. Henriksen, D. Dees, and S.-H. Kang at Argonne National Laboratory and the assistance of S. Maclaren and R. Haasch at CMM. NR 9 TC 29 Z9 29 U1 1 U2 18 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 1099-0062 J9 ELECTROCHEM SOLID ST JI Electrochem. Solid State Lett. PY 2008 VL 11 IS 12 BP A226 EP A228 DI 10.1149/1.2987680 PG 3 WC Electrochemistry; Materials Science, Multidisciplinary SC Electrochemistry; Materials Science GA 359YW UT WOS:000260025200004 ER PT J AU Chen, GY Wilcox, JD Richardson, TJ AF Chen, Guoying Wilcox, James D. Richardson, Thomas J. TI Improving the performance of lithium manganese phosphate through divalent cation substitution SO ELECTROCHEMICAL AND SOLID STATE LETTERS LA English DT Article ID ELECTROCHEMICALLY ACTIVE LIMNPO4; HYDROTHERMAL SYNTHESIS; CATHODE MATERIALS; ION BATTERIES; LIFEPO4; FE; MN AB Highly crystalline samples of LiMnPO(4) and its analogs with partial substitution of Mn by divalent Mg, Cu, Zn, and Ni were prepared by hydrothermal synthesis and characterized by X-ray diffraction and infrared spectroscopy. Chemical oxidation produced two-phase mixtures of the initial phases LiMn((1-y))M(y)PO(4) and the delithiated forms, Li(y)Mn((1-y))M(y)PO(4), all with the olivine structure. The extent of oxidation depended upon the quantity of oxidizing agent used and on the identity of the substituent ions. Mg, Ni, and Cu were found to increase the level of delithiation relative to that in pure LiMnPO(4). Mg was also shown to reduce the tendency of the oxidized phase to absorb water. (C) 2008 The Electrochemical Society. C1 [Chen, Guoying; Richardson, Thomas J.] Univ Calif Berkeley, Lawrence Berkeley Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Wilcox, James D.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Chen, GY (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. EM gchen@lbl.gov FU Secretary for Energy Efficiency and Renewable Energy; Office of FreedomCAR; Vehicle Technologies of the U. S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of FreedomCAR and Vehicle Technologies of the U. S. Department of Energy under contract no. DE-AC02-05CH11231. NR 25 TC 72 Z9 73 U1 0 U2 54 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 1099-0062 J9 ELECTROCHEM SOLID ST JI Electrochem. Solid State Lett. PY 2008 VL 11 IS 11 BP A190 EP A194 DI 10.1149/1.2971169 PG 5 WC Electrochemistry; Materials Science, Multidisciplinary SC Electrochemistry; Materials Science GA 348CM UT WOS:000259188600004 ER PT J AU Gabrisch, H Wilcox, J Doeff, MM AF Gabrisch, H. Wilcox, J. Doeff, M. M. TI TEM study of fracturing in spherical and plate-like LiFePO4 particles SO ELECTROCHEMICAL AND SOLID STATE LETTERS LA English DT Article ID POSITIVE-ELECTRODE; CARBON; SPECTROSCOPY; TRANSPORT; BATTERIES; CATHODE; ENERGY AB An investigation of fracturing in LiFepO(4) particles as a function of the particle morphology and history is presented. Two types of samples, one subjected to electrochemical cycling and another to chemical delithiation, are compared. We observe the formation of microfractures parallel to low indexed lattice planes in both samples. The fracture surfaces are predominantly parallel to (100) planes in the chemically delithiated powder and (100) and (010) planes in the electrochemically cycled powder. A consideration of the dislocations' stress fields shows that particle geometry plays an important role in the observed behavior. (c) 2008 The Electrochemical Society. C1 [Gabrisch, H.] Univ New Orleans, Dept Chem, Adv Mat Res Inst, New Orleans, LA 70148 USA. [Wilcox, J.; Doeff, M. M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Sci Mat, Berkeley, CA 94720 USA. RP Gabrisch, H (reprint author), Univ New Orleans, Dept Chem, Adv Mat Res Inst, New Orleans, LA 70148 USA. EM hgabrisc@uno.edu RI Doeff, Marca/G-6722-2013; Gabrisch, Heike/I-5021-2013 OI Doeff, Marca/0000-0002-2148-8047; NR 24 TC 65 Z9 65 U1 2 U2 42 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 1099-0062 EI 1944-8775 J9 ELECTROCHEM SOLID ST JI Electrochem. Solid State Lett. PY 2008 VL 11 IS 3 BP A25 EP A29 DI 10.1149/1.2826746 PG 5 WC Electrochemistry; Materials Science, Multidisciplinary SC Electrochemistry; Materials Science GA 262AQ UT WOS:000253121800002 ER PT J AU Yang, ZG Xia, GG Nie, ZM Templeton, J Stevenson, JW AF Yang, Zhenguo Xia, Guanguang Nie, Zimin Templeton, Joshua Stevenson, Jeffry W. TI Ce-modified (Mn,Co)(3)O-4 spinel coatings on ferritic stainless steels for SOFC interconnect applications SO ELECTROCHEMICAL AND SOLID STATE LETTERS LA English DT Article ID OXIDE FUEL-CELLS; OXIDATION-RESISTANT ALLOYS; PROTECTION LAYERS; METALLIC INTERCONNECTS; SEALING GLASSES; CATHODE; SURFACE; DEGRADATION; PERFORMANCE; ELECTRODES AB This paper reports the development of a coating approach that simultaneously achieves the advantages of conductive (Mn,Co)(3)O-4 spinel coatings and of rare earth (RE) surface treatment on ferritic stainless steels for solid oxide fuel cell (SOFC) interconnect applications. This approach involves the modification of (Mn,Co)(3)O-4 spinel coatings through addition of a RE element to the spinel composition. In particular, Ce-modified spinel coatings (Ce0.05Mn1.475Co1.475O4) behaved similarly to unmodified Mn1.5Co1.5O4 spinel coatings by acting as a Cr-outward and O-inward diffusion barrier, thus improving the surface stability and electrical performance of ferritic stainless steel. In addition, the RE addition appeared to alter the scale growth behavior beneath the coating, so that alloy samples with the Ce-modified spinel coating exhibited a more adherent scale/metal interface compared to samples with the unmodified spinel coating. As a result, it is anticipated that compared to unmodified spinel coatings, the RE-modified coatings may lead to improved structural stability and electrical performance for ferritic stainless steel-based SOFC interconnects. C1 [Yang, Zhenguo; Xia, Guanguang; Nie, Zimin; Templeton, Joshua; Stevenson, Jeffry W.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Yang, ZG (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM zgary.yang@pnl.gov NR 31 TC 39 Z9 42 U1 1 U2 27 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 1099-0062 J9 ELECTROCHEM SOLID ST JI Electrochem. Solid State Lett. PY 2008 VL 11 IS 8 BP B140 EP B143 DI 10.1149/1.2929066 PG 4 WC Electrochemistry; Materials Science, Multidisciplinary SC Electrochemistry; Materials Science GA 312XQ UT WOS:000256706100010 ER PT J AU Yu, ZQ Kuchibhatla, SVNT Saraf, LV Marina, OA Wang, CM Engelhard, MH Shutthanandan, V Nachimuthu, P Thevuthasan, S AF Yu, Z. Q. Kuchibhatla, Satyanarayana V. N. T. Saraf, L. V. Marina, O. A. Wang, C. M. Engelhard, M. H. Shutthanandan, V. Nachimuthu, P. Thevuthasan, S. TI Conductivity of oriented samaria-doped ceria thin films grown by oxygen-plasma-assisted molecular beam epitaxy SO ELECTROCHEMICAL AND SOLID STATE LETTERS LA English DT Article ID DEPENDENT ELECTRICAL-CONDUCTIVITY; NANOCRYSTALLINE CERIA; IONIC-CONDUCTIVITY; POLYCRYSTALLINE; MICROSTRUCTURE; ELECTROLYTE; OXIDES AB We have used oxygen-plasma-assisted molecular beam epitaxy to grow highly oriented Ce1-xSmxO2-delta films on single-crystal c-Al2O3. The samarium concentration x was varied in the range of 1-33 atom %. It was observed that dominant (111) orientation in Ce1-xSmxO2-delta films can be maintained up to about 10 atom % samarium concentration. Films higher than 10 atom % Sm concentration started to show polycrystalline features. The highest conductivity of 0.04 S cm(-1) at 600 degrees C was observed for films with similar to 5 atom % Sm concentration. A loss of orientation, triggering an enhanced grain-boundary scattering, appears to be responsible for the decrease in conductivity at higher dopant concentrations. (c) 2008 The Electrochemical Society. C1 [Yu, Z. Q.] Nanjing Normal Univ, Dept Chem, Nanjing 210097, Peoples R China. [Kuchibhatla, Satyanarayana V. N. T.; Saraf, L. V.; Marina, O. A.; Wang, C. M.; Engelhard, M. H.; Shutthanandan, V.; Nachimuthu, P.; Thevuthasan, S.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Kuchibhatla, Satyanarayana V. N. T.] Univ Cent Florida, Adv Mat Proc & Anal Ctr, Orlando, FL 32816 USA. RP Yu, ZQ (reprint author), Nanjing Normal Univ, Dept Chem, Nanjing 210097, Peoples R China. EM theva@pnl.gov RI Engelhard, Mark/F-1317-2010; OI Engelhard, Mark/0000-0002-5543-0812 NR 27 TC 10 Z9 10 U1 0 U2 10 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 1099-0062 J9 ELECTROCHEM SOLID ST JI Electrochem. Solid State Lett. PY 2008 VL 11 IS 5 BP B76 EP B78 DI 10.1149/1.2890122 PG 3 WC Electrochemistry; Materials Science, Multidisciplinary SC Electrochemistry; Materials Science GA 274GM UT WOS:000253989800012 ER PT J AU Zeng, Z Natesan, K Cai, SB AF Zeng, Zuotao Natesan, Ken Cai, Steven B. TI Characterization of oxide scale on alloy 446 by x-ray nanobeam analysis SO ELECTROCHEMICAL AND SOLID STATE LETTERS LA English DT Article ID INTERCONNECT EXPOSURE CONDITIONS; FERRITIC STAINLESS-STEELS; FUEL-CELL; METALLIC INTERCONNECTS; OXIDATION BEHAVIOR; SOFC; TRANSPORT; CORROSION; COATINGS; CR2O3 AB To understand the potential degradation of metallic interconnects, tubes of alloy 446 were exposed to air/hydrogen dual atmosphere at elevated temperatures for 1030 h. The scale developed on the air side consisted of two layers. Because the two sublayers in the oxide scale were too thin for evaluation by regular X-ray diffraction, nanobeam X-ray diffraction was used to study the phase compositions in the scales that formed on both the air and hydrogen sides of alloy 446. The results indicate that Mn1-xCr2-xO4 spinel is the major phase in the oxide scale on alloy 446. The valence of manganese in the oxide scale was also evaluated by X-ray near-edge absorption. (C) 2007 The Electrochemical Society. C1 Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. Illinois Math & Sci Acad, Aurora, IL 60506 USA. RP Zeng, Z (reprint author), Argonne Natl Lab, Nucl Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM zeng@anl.gov NR 18 TC 1 Z9 1 U1 1 U2 7 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 1099-0062 J9 ELECTROCHEM SOLID ST JI Electrochem. Solid State Lett. PY 2008 VL 11 IS 1 BP C5 EP C8 DI 10.1149/1.2804113 PG 4 WC Electrochemistry; Materials Science, Multidisciplinary SC Electrochemistry; Materials Science GA 231XW UT WOS:000250983500008 ER PT J AU Roper, CS Radmilovic, V Howe, RT Maboudian, R AF Roper, Christopher S. Radmilovic, Velimir Howe, Roger T. Maboudian, Roya TI Effects of annealing on residual stress and strain gradient of doped polycrystalline SiC thin films SO ELECTROCHEMICAL AND SOLID STATE LETTERS LA English DT Article ID CHEMICAL-VAPOR-DEPOSITION; 3C-SIC FILMS; PRESSURE; REACTOR; GROWTH; LAYERS AB We report the effects of annealing at 925 and 1050 degrees C in argon ambient on the resistivity, average residual stress, and strain gradient of highly doped polycrystalline 3C-SiC films deposited at 800 degrees C and 170 mTorr from 1,3-disilabutane, dichlorosilane, and ammonia. Residual stress shifts from -569 to 274 MPa, compressive strain gradient shifts from 4x10(-4) to -0.018 mu m(-1), and resistivity shifts from -0.037 to 0.030 Omega cm. Characterization of the SiC films reveals that oxygen impurity diffusion from the ambient during annealing and a change in bonding of nitrogen dopant atoms are sources of the shifts in these properties. C1 [Roper, Christopher S.; Maboudian, Roya] Univ Calif Berkeley, Dept Chem Engn, Berkeley Sensor & Actuator Ctr, 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), Univ Calif Berkeley, Dept Chem Engn, Berkeley Sensor & Actuator Ctr, Berkeley, CA 94720 USA. EM maboudia@berkeley.edu NR 17 TC 13 Z9 13 U1 0 U2 4 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 1099-0062 J9 ELECTROCHEM SOLID ST JI Electrochem. Solid State Lett. PY 2008 VL 11 IS 4 BP D35 EP D37 DI 10.1149/1.2831906 PG 3 WC Electrochemistry; Materials Science, Multidisciplinary SC Electrochemistry; Materials Science GA 263SY UT WOS:000253238000009 ER PT J AU Brosha, EL Mukundan, R Garzon, FH AF Brosha, Eric L. Mukundan, Rangachary Garzon, Fernando H. TI YSZ-Based Mixed Potential Sensors for the Detection of Explosives SO ELECTROCHEMICAL AND SOLID STATE LETTERS LA English DT Article ID STABILIZED ZIRCONIA; OXIDE ELECTRODES; SOILS; TNT AB A zirconia-based mixed potential sensor utilizing dense lanthanum chromite and Pt electrodes and porous yttria-stabilized zirconia (YSZ) electrolyte was used in an alternating HC mode (unbiased) and total NO(x) mode (50 nA bias current) to detect the HC and NO(x) deflagration remnants of a nitroglycerin/nitrocellulose propellant (Bullseye), ammonium nitrate and fuel oil, blackpowder, and urea (a high nitrogen content fertilizer). Unique HC and NO(x) sensor responses taken together with sufficient sensitivity to detect microgram quantities of Bullseye, directly and via capture of trace residue by swiping contaminated surfaces, suggest that detection and discrimination of high explosives using mixed-potential sensors is possible. (C) 2008 The Electrochemical Society. [DOI: 10.1149/1.2988252] All rights reserved. C1 [Brosha, Eric L.; Mukundan, Rangachary; Garzon, Fernando H.] Los Alamos Natl Lab, Sensors & Electrochem Devices Grp, Los Alamos, NM 87545 USA. RP Brosha, EL (reprint author), Los Alamos Natl Lab, Sensors & Electrochem Devices Grp, POB 1663, Los Alamos, NM 87545 USA. EM brosha@lanl.gov OI Mukundan, Rangachary/0000-0002-5679-3930 FU LANL Royalty Funds FX The authors acknowledge Dr. Kenneth Stroh for his discretionary use of the LANL Royalty Funds to support this research. Other sources of LANL mixed potential sensor research funding over the past 10 years include the DOE: Freedom Car and Vehicle Technologies programs, DOE: Advanced Reciprocating Engine Systems program, LANL: Technology Maturation Fund, LANL Laboratory Directed Research and Development, and DOE: Hydrogen, Fuel Cell and Infrastructure Technologies program. NR 23 TC 12 Z9 12 U1 1 U2 8 PU ELECTROCHEMICAL SOC INC PI PENNINGTON PA 65 SOUTH MAIN STREET, PENNINGTON, NJ 08534 USA SN 1099-0062 J9 ELECTROCHEM SOLID ST JI Electrochem. Solid State Lett. PY 2008 VL 11 IS 12 BP J92 EP J95 DI 10.1149/1.2988252 PG 4 WC Electrochemistry; Materials Science, Multidisciplinary SC Electrochemistry; Materials Science GA 359YW UT WOS:000260025200021 ER PT J AU Liu, GD Wang, J Lin, YH Wang, J AF Liu, Guodong Wang, Jun Lin, Yuehe Wang, Joseph BE Zhang, X Ju, H Wang, J TI Nanoparticle-based biosensors and bioassays SO ELECTROCHEMICAL SENSORS, BIOSENSORS AND THEIR BIOMEDICAL APPLICATIONS LA English DT Article; Book Chapter ID ELECTROCHEMICAL STRIPPING DETECTION; PROSTATE-SPECIFIC ANTIGEN; DNA-HYBRIDIZATION; BIOCONJUGATED NANOPARTICLES; POTENTIOMETRIC DETECTION; GOLD NANOPARTICLES; IMMUNOASSAY; LABEL; ELECTRODE; PROTEINS C1 [Liu, Guodong; Wang, Jun; Lin, Yuehe] Pacific NW Natl Lab, Richland, WA 99352 USA. [Wang, Joseph] Arizona State Univ, Dept Chem & Mat Engn, Ctr Bioelect & Biosensors, Biodesign Inst, Tempe, AZ 85387 USA. [Wang, Joseph] Arizona State Univ, Dept Biochem, Ctr Bioelect & Biosensors, Biodesign Inst, Tempe, AZ 85387 USA. RP Liu, GD (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. RI Lin, Yuehe/D-9762-2011 OI Lin, Yuehe/0000-0003-3791-7587 NR 62 TC 3 Z9 3 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-055489-1 PY 2008 BP 441 EP 457 DI 10.1016/B978-012373738-0.50016-7 PG 17 WC Electrochemistry; Engineering, Biomedical; Engineering, Electrical & Electronic SC Electrochemistry; Engineering GA BCR07 UT WOS:000311052700015 ER PT J AU Abraham, DP Kawauchi, S Dees, DW AF Abraham, D. P. Kawauchi, S. Dees, D. W. TI Modeling the impedance versus voltage characteristics of LiNi0.8Co0.15Al0.05O2 SO ELECTROCHIMICA ACTA LA English DT Article DE lithium ion; LiNi0.8Co0.15Al0.05O2; state of charge; impedance model; high power ID LITHIUM-ION CELLS; HIGH-POWER; DIFFERENT TEMPERATURES; INTERCALATION; SPECTROSCOPY; ELECTRODES; BATTERIES AB The power-delivery capability of lithium-ion cells based oil LiNi0.8Co0.15Al0.05O2-based positive electrodes shows a significant dependence oil the cell's state-of-charge. One reason for this behavior is the variation of the positive electrode's impedance with the oxide's lithium content. In this article, in electrochemical model based oil concentrated solution porous electrode theory is used to model impedance data obtained oil LiNi0.8Co0.15Al0.05O2-based positive electrodes charged to potentials ranging from 3.55 to 4.55 V Versus Li. The parameters obtained from model fits include the exchange-current density and Li-ion diffusion coefficients in the oxide. The variations in these parameters with oxide potential are correlated with structural changes in the material observed during Li-ion intercalation-deintercalation reactions. (C) 2007 Elsevier Ltd. All rights reserved. C1 [Abraham, D. P.; Kawauchi, S.; Dees, D. W.] Argonne Natl Lab, Div Chem Engn, Argonne, IL 60439 USA. RP Dees, DW (reprint author), Argonne Natl Lab, Div Chem Engn, 9700 S Cass Ave, Argonne, IL 60439 USA. EM dees@cmt.anl.gov NR 26 TC 39 Z9 39 U1 3 U2 64 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0013-4686 J9 ELECTROCHIM ACTA JI Electrochim. Acta PD JAN 1 PY 2008 VL 53 IS 5 BP 2121 EP 2129 DI 10.1016/j.electacta.2007.09.018 PG 9 WC Electrochemistry SC Electrochemistry GA 255VL UT WOS:000252685900006 ER PT J AU Roeper, DF Chidambaram, D Clayton, CR Halada, GP AF Roeper, Donald F. Chidambaram, Devicharan Clayton, Clive R. Halada, Gary P. TI Development of an environmentally friendly protective coating for the depleted uranium-0.75 wt.% titanium alloy - Part V. Electrochemical impedance spectroscopy of the coating SO ELECTROCHIMICA ACTA LA English DT Article DE uranium alloys; corrosion; molybdenum oxides; electrochemical impedance spectroscopy; coatings ID CHROMATE CONVERSION COATINGS; COATED METALS; AC-IMPEDANCE; BEHAVIOR; ALUMINUM; CONDUCTIVITY; CORROSION; FILMS; MODEL; IRON AB Molybdenum oxide based conversion coatings have been formed on the surface of the depleted uranium-0.75 wt.% titanium alloy. Electrochemical impedance spectroscopy (EIS) measurements have been performed on the as-made and aged coatings and compared with the untreated depleted uranium (DU) alloy. The Nyquist and Bode plots of the as-made coating were similar to the untreated samples and contained capacitive and inductive loops. The aged coating exhibits significantly different behavior from the as-made coating and has been modeled with a four element equivalent circuit that contains a constant phase element (CPE). (C) 2007 Elsevier Ltd. All rights reserved. C1 [Roeper, Donald F.; Clayton, Clive R.; Halada, Gary P.] SUNY Stony Brook, Dept Mat Sci & Engn, Stony Brook, NY 11794 USA. [Chidambaram, Devicharan] Brookhaven Natl Lab, Dept Environm Sci, Upton, NY 11973 USA. RP Roeper, DF (reprint author), Naval Res Lab Code 6130, Washington, DC 20375 USA. EM donald.roeper@nrl.navy.mil RI Chidambaram, Dev/B-2967-2008 NR 29 TC 17 Z9 17 U1 1 U2 14 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0013-4686 J9 ELECTROCHIM ACTA JI Electrochim. Acta PD JAN 1 PY 2008 VL 53 IS 5 BP 2130 EP 2134 DI 10.1016/j.electacta.2007.09.021 PG 5 WC Electrochemistry SC Electrochemistry GA 255VL UT WOS:000252685900007 ER PT S AU Pantelides, ST Pennycook, SJ AF Pantelides, Sokrates T. Pennycook, Stephen J. BE Avilov, AS Dudarev, SL Marks, LD TI Materials physics using a combination of density-functional theory and atomic-resolution electron microscopy SO ELECTRON MICROSCOPY AND MULTISCALE MODELING, PROCEEDINGS SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on Electron Microscopy and Multiscale Modeling CY SEP 03-07, 2007 CL Moscow, RUSSIA SP RAS, Shubnikov Inst Crystallog, RAS, Sci Council Electron Microscopy, Int Union Crystallog, Commiss Electron Diffact DE electron microscopy; density functional theory; electron energy loss spectroscopy; complex materials ID GRAIN-BOUNDARIES; GAMMA-ALUMINA AB Scanning transmission electron microscopes provide atomic-resolution images and electron-energy loss spectra of crystalline systems. Density functional theory is a "theoretical microscope" that provides energetically preferred structures and excitation spectra. This paper gives a summary of several applications that demonstrate the breadth and depth of new results that can be obtained from a synergistic application of the experimental and theoretical methods to a wide range of complex materials systems. C1 [Pantelides, Sokrates T.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Pantelides, Sokrates T.; Pennycook, Stephen J.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Pantelides, ST (reprint author), Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. 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 978-0-7354-0519-6 J9 AIP CONF PROC PY 2008 VL 999 BP 12 EP + PG 3 WC Crystallography; Materials Science, Multidisciplinary SC Crystallography; Materials Science GA BHP64 UT WOS:000255186100002 ER PT S AU Allen, LJ D'Alfonso, AJ Findlay, SD Oxley, MP Bosman, M Keast, VJ Cosgriff, EC Behan, G Nellist, PD Kirkland, AI AF Allen, L. J. D'Alfonso, A. J. Findlay, S. D. Oxley, M. P. Bosman, M. Keast, V. J. Cosgriff, E. C. Behan, G. Nellist, P. D. Kirkland, A. I. BE Avilov, AS Dudarev, SL Marks, LD TI Theoretical interpretation of electron energy-loss spectroscopic images SO ELECTRON MICROSCOPY AND MULTISCALE MODELING, PROCEEDINGS SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on Electron Microscopy and Multiscale Modeling CY SEP 03-07, 2007 CL Moscow, RUSSIA SP RAS, Shubnikov Inst Crystallog, RAS, Sci Council Electron Microscopy, Int Union Crystallog, Commiss Electron Diffact DE core-loss spectroscopy; STEM; nonlocality ID CORE-LOSS SPECTROSCOPY; INELASTICALLY SCATTERED ELECTRONS; SHELL IONIZATION; Z-CONTRAST; MICROSCOPY; STEM; ATOMS; DIFFRACTION; ABSORPTION; CRYSTALS AB We discuss the theory of electron energy-loss spectroscopic images in scanning transmission electron microscopy. Three case studies are presented which have as common themes issues of inelastic scattering, coherence and image interpretation. The first is a state-by-state inelastic transitions analysis of a spectroscopic image which does not admit direct visual interpretation. The second compares theory and experiment for two-dimensional mapping. The third considers imaging in three dimensions via depth sectioning. C1 [Allen, L. J.; D'Alfonso, A. J.; Findlay, S. D.] Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia. [Oxley, M. P.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Bosman, M.] Univ Sydney, Electron Microscope Unit, Sydney, NSW 2006, Australia. [Keast, V. J.] Univ Newcastle, Sch Math & Phys Sci, Callaghan, NSW 2308, Australia. [Cosgriff, E. C.; Behan, G.; Nellist, P. D.; Kirkland, A. I.] Univ Oxford, Dept Mat, Oxford OX1 3PH, England. RP Allen, LJ (reprint author), Univ Melbourne, Sch Phys, Melbourne, Vic 3010, Australia. RI Behan, Gavin/C-6707-2008; Findlay, Scott/C-9764-2013 OI Findlay, Scott/0000-0003-4862-4827 FU Australian Research Council; Office of Basic Energy Sciences, Division of Materials Sciences and Engineering; U.S. Department of Energy [DEAC05- 00OR22725]; University of Oxford; JEOL Ltd; EPSRC; ORNL Laboratory Directed Research; UT-Battelle; LLC FX L. J. Allen and V. J. Keast acknowledge support by the Australian Research Council. A. L. Bleloch and M. H. Gass are kindly thanked for their assistance at the Daresbury Super-STEM and M. Watanabe for providing the PCA code. This research was sponsored by the Office of Basic Energy Sciences, Division of Materials Sciences and Engineering,U.S. Department of Energy, under Contract No. DEAC05- 00OR22725 with Oak Ridge National Laboratory, managed and operated by UT-Battelle, LLC; and by the ORNL Laboratory Directed Research and Development Program. A. I. Kirkland and R D. Nellist acknowledge funding from The University of Oxford, JEOL Ltd and the EPSRC. NR 43 TC 2 Z9 2 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA SN 0094-243X BN 978-0-7354-0519-6 J9 AIP CONF PROC PY 2008 VL 999 BP 32 EP + PG 3 WC Crystallography; Materials Science, Multidisciplinary SC Crystallography; Materials Science GA BHP64 UT WOS:000255186100004 ER PT S AU Rydh, A Tagliati, S Nilsson, RA Xie, R Pearson, JE Welp, U Kwok, WK Divan, R AF Rydh, A. Tagliati, S. Nilsson, R. A. Xie, R. Pearson, J. E. Welp, U. Kwok, W. -K. Divan, R. BE Bonca, J Kruchinin, S TI EMERGING MEASUREMENT TECHNIQUES FOR STUDIES OF MESOSCOPIC SUPERCONDUCTORS SO ELECTRON TRANSPORT IN NANOSYSTEMS SE NATO Science for Peace and Security Series B-Physics and Biophysics LA English DT Proceedings Paper CT NATO Advanced Research Workshop on Electron Transport in Nanosystems CY SEP 17-21, 2007 CL Yalta, UKRAINE SP NATO DE superconductivity; calorimetry; mesoscopic; Si3N4 membrane; measurement techniques; lock-in; FPGA; DAQ; ADC ID TRANSITIONS; RESOLUTION; DISKS AB Experimental research on mesoscopic systems puts high demands on the measurement infrastructure, including measurement system with associated sample preparation, experimental design, measurement electronics, and data collection. Successful experiments require both the ability to manufacture small samples and to successfully and accurately study their novel properties. Here, we discuss some aspects and recent advancements of general measurement techniques that should benefit several characterization methods such as thermodynamic, magnetic, and transport studies of mesoscopic superconductors. C1 [Rydh, A.; Tagliati, S.; Nilsson, R. A.] AlbaNova Univ Ctr, Stockholm Univ, Dept Phys, SE-10691 Stockholm, Sweden. [Xie, R.; Pearson, J. E.; Welp, U.; Kwok, W. -K.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Divan, R.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Rydh, A (reprint author), AlbaNova Univ Ctr, Stockholm Univ, Dept Phys, SE-10691 Stockholm, Sweden. EM arydh@physto.se RI Rydh, Andreas/A-7068-2012 OI Rydh, Andreas/0000-0001-6641-4861 FU Swedish Research Council [DE-AC02-06CH11357]; US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX Support from the Swedish Research Council and the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract No. DE-AC02-06CH11357 is gratefully acknowledged. NR 17 TC 1 Z9 1 U1 0 U2 0 PU SPRINGER PI DORDRECHT PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS SN 1871-465X BN 978-1-4020-9144-5 J9 NATO SCI PEACE SEC B PY 2008 BP 117 EP + PG 3 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Condensed Matter SC Engineering; Science & Technology - Other Topics; Physics GA BIP20 UT WOS:000261513200010 ER PT S AU Movshovich, R Tokiwa, Y Ronning, F Bianchi, A Capan, C Young, BL Urbano, RR Curro, NJ Park, T Thompson, JD Bauer, E Sarrao, JL AF Movshovich, R. Tokiwa, Y. Ronning, F. Bianchi, A. Capan, C. Young, B. L. Urbano, R. R. Curro, N. J. Park, T. Thompson, J. D. Bauer, E. Sarrao, J. L. BE Bonca, J Kruchinin, S TI INTERPLAY OF MAGNETISM AND SUPERCONDUCTIVITY IN CeCoIn(5) SO ELECTRON TRANSPORT IN NANOSYSTEMS SE NATO Science for Peace and Security Series B - Physics and Biophysics LA English DT Proceedings Paper CT NATO Advanced Research Workshop on Electron Transport in Nanosystems CY SEP 17-21, 2007 CL Yalta, UKRAINE SP NATO DE heavy fermion; superconductivity; FFLO phase ID CERHIN5; STATE; PRESSURE AB CeCoIn(5) is a heavy fermion superconductor which appears to be straddling the boundary between the superconducting and magnetic ground states. At the Superconducting critical field H(c2) this material displays NFL behavior in transport and thermodynamic properties, pointing at a Quantum Critical Point (QCP) at H(c2), and hinting at the presence of magnetic fluctuations, probably due to an AFM order superseded by the superconductivity. In the High-Field-Low-Temperature (HFLT) corner of the superconducting phase of CeCoIn(5), within 20% off H(c2), an additional phase appears within the superconducting phase, and the normal-to-superconducting transition itself becomes first order. This behavior is consistent with a strong Pauli limited superconductivity, and tire low temperature high field phase being an inhomogeneous superconducting FFLO phase. Recent NMR experiments, however, point to a long range magnetic order within HFLT state. Experiments on CeRhIn(5) under pressure show magnetic field induced AFM order within the superconducting phase, with some similarities to the phase diagram of CeCOIn(5). Could the HFLT phase transition be due to magnetic order? Importantly, the HFLT phase does riot extend into the normal state above H(c2). We need a picture of a magnetism "attracted" to superconductivity to explain the data on the HFLT phase in CeCoIn(5). C1 [Movshovich, R.; Tokiwa, Y.; Ronning, F.; Bianchi, A.; Capan, C.; Young, B. L.; Urbano, R. R.; Curro, N. J.; Park, T.; Thompson, J. D.; Bauer, E.; Sarrao, J. L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Movshovich, R (reprint author), Los Alamos Natl Lab, MS K764, Los Alamos, NM 87545 USA. EM roman@lanl.gov RI Urbano, Ricardo/F-5017-2012; Curro, Nicholas/D-3413-2009; Bianchi, Andrea/E-9779-2010 OI Curro, Nicholas/0000-0001-7829-0237; Bianchi, Andrea/0000-0001-9340-6971 NR 27 TC 0 Z9 0 U1 1 U2 1 PU SPRINGER PI DORDRECHT PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS SN 1871-465X BN 978-1-4020-9144-5 J9 NATO SCIENCE PEACE S PY 2008 BP 127 EP 138 PG 12 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Physics, Condensed Matter SC Engineering; Science & Technology - Other Topics; Physics GA BIP20 UT WOS:000261513200011 ER PT S AU Treacy, MMJ Kurnar, D Rougee, A Zhao, G Buseck, PR McNulty, I Fan, L Rau, C Gibson, JM AF Treacy, M. M. J. Kurnar, D. Rougee, A. Zhao, G. Buseck, P. R. McNulty, I. Fan, L. Rau, C. Gibson, J. M. BE Baker, RT Mobus, G Brown, PD TI Glimpsing order within the disarray SO EMAG: ELECTRON MICROSCOPY AND ANALYSIS GROUP CONFERENCE 2007 SE Journal of Physics Conference Series LA English DT Proceedings Paper CT Electron Microscopy and Analysis Group Conference CY SEP 03-07, 2007 CL Glasgow Caledonian Univ, Glasgow, SCOTLAND SP Univ Glasgow HO Glasgow Caledonian Univ ID MEDIUM-RANGE ORDER; FLUCTUATION MICROSCOPY; AMORPHOUS-SILICON; METALLIC GLASSES; CARBON-FILMS AB We describe some of the recent advances in the fluctuation microscopy technique for probing medium-range structural correlations in disordered materials. In particular we show that fluctuation microscopy is a surprisingly sensitive method for detecting trace quantities of C-60 in a disordered graphite matrix. This surprising sensitivity arises because C-60 does not have the same forbidden reflections as graphite. Modeling shows that the method should readily distinguish between C-60, C-70 and C-72. This result indicates that the technique can be used to discern dilute distributions of macromolecules in an otherwise disordered matrix. We also describe preliminary interferometric fluctuation microscopy studies using cross-correlations in diffraction between coherent double probes. This is a form of holography where the diffraction patterns from two neighboring regions are allowed to overlap and interfere. Young's fringes appear wherever both regions scatter strongly. The cross-correlation can be examined as a function of probe separation to estimate a structure correlation length. At present, the method is being applied to x-ray and optical microscopies, but could also be applied to TEM. Since it isolates the essential four-body terms underpinning the fluctuation microscopy technique, this method holds much promise for studying medium-range order. C1 [Treacy, M. M. J.; Kurnar, D.; Rougee, A.] Arizona State Univ, Dept Phys, Tempe, AZ 85287 USA. [Zhao, G.; Buseck, P. R.] Arizona State Univ, Sch Earth & Space Explorat, Tempe, AZ 85287 USA. [Buseck, P. R.] Arizona State Univ, Dept Chem Biochem, Tempe, AZ 85287 USA. [McNulty, I.; Fan, L.; Rau, C.; Gibson, J. M.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Treacy, MMJ (reprint author), Arizona State Univ, Dept Phys, Tempe, AZ 85287 USA. EM treacy@asu.edu NR 20 TC 0 Z9 0 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1742-6588 J9 J PHYS CONF SER PY 2008 VL 126 AR 012001 DI 10.1088/1742-6596/126/1/012001 PG 8 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA BIX01 UT WOS:000263476400001 ER PT S AU Torczynski, JR Gallis, MA Rader, DJ AF Torczynski, John R. Gallis, Michael A. Rader, Daniel J. BE Schellenberg, FM TI Particle-contamination analysis for reticles in carrier inner pods - art. no. 69213G SO EMERGING LITHOGRAPHIC TECHNOLOGIES XII, PTS 1 AND 2 SE PROCEEDINGS OF THE SOCIETY OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS (SPIE) LA English DT Proceedings Paper CT Conference on Emerging Lithographic Technologies XII CY FEB 26-28, 2008 CL San Jose, CA SP SPIE DE particle; contamination; reticle; carrier; inner pod; atmospheric pressure; advection; diffusion; modeling AB Particle contamination is analyzed for a reticle in the inner pod of a carrier with particular emphasis on the effect of raising the cover of the inner pod before removing the reticle from the carrier at atmospheric pressure (not low pressure). Two mechanisms for particle transport into the gap between the base plate and the reticle are considered: injection and advection-diffasion. It is shown that injection is not an important mechanism but that advection-diffusion transport can carry particles deeply into the gap, where they can deposit on the reticle surface. Closed-form expressions are presented for the transmission probability that particles at the reticle edge are transported inward past the exclusion zone around the reticle perimeter. The gas flow in the gap that occurs during cover-raising is found by numerical simulation, and the closed-form expressions are applied to determine the probability of contamination for different cover-raising scenarios. C1 [Torczynski, John R.; Gallis, Michael A.; Rader, Daniel J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Torczynski, JR (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 12 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 978-0-8194-7106-2 J9 P SOC PHOTO-OPT INS PY 2008 VL 6921 BP G9213 EP G9213 DI 10.1117/12.768409 PN 1-2 PG 11 WC Optics; Imaging Science & Photographic Technology; Physics, Condensed Matter SC Optics; Imaging Science & Photographic Technology; Physics GA BHV89 UT WOS:000256898400101 ER PT S AU Goldberg, KA Rekawa, SB Kemp, CD Barty, A Anderson, E Kearney, P Han, H AF Goldberg, Kenneth A. Rekawa, Senajith B. Kemp, Charles D. Barty, Anton Anderson, Erik Kearney, Patrick Han, Hakseung BE Schellenberg, FM TI EUV mask ireflectivity measurements with micron-scale spatial resolution - art. no. 69213U SO EMERGING LITHOGRAPHIC TECHNOLOGIES XII, PTS 1 AND 2 SE PROCEEDINGS OF THE SOCIETY OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS (SPIE) LA English DT Proceedings Paper CT Conference on Emerging Lithographic Technologies XII CY FEB 26-28, 2008 CL San Jose, CA SP SPIE DE extreme ultraviolet lithography; EUV; mask inspection; reticle; defect repair; actinic inspection; bright-field; dark-field ID EXTREME-ULTRAVIOLET LITHOGRAPHY; MULTILAYER DEFECTS; INSPECTION AB The effort to produce defect-free mask blanks for EUV lithography relies on increasing the detection sensitivity of advanced mask inspection tools, operating at several wavelengths. We describe the unique measurement capabilities of a prototype actinic (EUV wavelength) microscope that is capable of detecting small defects and reflectivity changes that occur on the scale of microns to nanometers. The defects present in EUV masks can appear in many well-known forms: as particles that cause amplitude or phase variations in the reflected field; as surface contamination that reduces reflectivity and contrast; and as damage from inspection and use that reduces the reflectivity of the multilayer coating. This paper presents an overview of several topics where scanning actinic inspection makes a unique contribution to EUVL research. We describe the role of actinic scanning inspection in defect repair studies, observations of laser damage, actinic inspection following scanning electron microscopy, and the detection of both native and programmed defects. C1 [Goldberg, Kenneth A.; Rekawa, Senajith B.; Kemp, Charles D.; Anderson, Erik] Ctr Xray Opt, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Goldberg, KA (reprint author), Ctr Xray Opt, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 14 TC 4 Z9 4 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 978-0-8194-7106-2 J9 P SOC PHOTO-OPT INS PY 2008 VL 6921 BP U9213 EP U9213 DI 10.1117/12.772971 PN 1-2 PG 9 WC Optics; Imaging Science & Photographic Technology; Physics, Condensed Matter SC Optics; Imaging Science & Photographic Technology; Physics GA BHV89 UT WOS:000256898400115 ER PT S AU Naulleau, PP Anderson, CN Chiu, J Dean, K Denham, P Goldberg, KA Hoef, B Huh, S Jones, G La Fontaine, B Ma, A Niakoula, D Park, JO Wallow, T AF Naulleau, Patrick P. Anderson, Christopher N. Chiu, Jerrin Dean, Kim Denham, Paul Goldberg, Kenneth A. Hoef, Brian Huh, Sungmin Jones, Gideon La Fontaine, Bruno Ma, Andy Niakoula, Dimitra Park, Joo-on Wallow, Tom BE Schellenberg, FM TI Advanced extreme ultraviolet resist testing using the SEMATECH Berkeley 0.3-NA microfield exposure tool SO EMERGING LITHOGRAPHIC TECHNOLOGIES XII, PTS 1 AND 2 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Emerging Lithographic Technologies XII CY FEB 26-28, 2008 CL San Jose, CA SP SPIE DE extreme ultraviolet; lithography; photoresist; aberrations ID LINE-EDGE ROUGHNESS; LITHOGRAPHIC CHARACTERIZATION; MASK-ROUGHNESS; ALIGNMENT; ILLUMINATOR AB Microfield exposure tools (METs) continue to play a dominant role in the development of extreme ultraviolet (EUV) resists. Here we present an update on the SEMATECH Berkeley 0.3-NA MET and summarize the latest test results from high-resolution line-space and contact-hole printing. In practice, the resolution limit of contact-hole printing is generally dominated by contact size variation that is often speculated to originate form shot noise effects. Such observations of photon-noise limited performance are concerning because they suggest that future increased resist sensitivity would not be feasible. Recent printing data, however, indicates that the contact size variation problem is currently not a result of shot noise but rather attributable to the mask in combination with the resist-dominated mask error enhancement factor (MEEF). Also discussed is the importance of the contribution of the system-level line-edge roughness (LER) to resist LER values currently obtained with the SEMATECH Berkeley MET. We present the expected magnitude of such effects and compare the results to observed trends in LER performance from EUV resists over the past few years. C1 [Naulleau, Patrick P.; Chiu, Jerrin; Denham, Paul; Goldberg, Kenneth A.; Hoef, Brian; Jones, Gideon; Niakoula, Dimitra] Ctr Xray Opt, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Naulleau, PP (reprint author), Ctr Xray Opt, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RI Anderson, Christopher/H-9526-2015 OI Anderson, Christopher/0000-0002-2710-733X NR 23 TC 3 Z9 3 U1 0 U2 0 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7106-2 J9 PROC SPIE PY 2008 VL 6921 AR 69213N DI 10.1117/12.773833 PN 1-2 PG 11 WC Optics; Imaging Science & Photographic Technology; Physics, Condensed Matter SC Optics; Imaging Science & Photographic Technology; Physics GA BHV89 UT WOS:000256898400108 ER PT S AU Bhaduri, D Shukla, SK Quinn, H Graham, P Gokhale, M AF Bhaduri, D. Shukla, S. K. Quinn, H. Graham, P. Gokhale, M. BE Tehranipoor, M TI Design and Analysis of Fault-Tolerant Molecular Computing Systems SO EMERGING NANOTECHNOLOGIES: TEST, DEFECT TOLERANCE, AND RELIABILITY SE Frontiers in Electronic Testing LA English DT Article; Book Chapter ID ELECTRONICS C1 [Bhaduri, D.; Shukla, S. K.] Virginia Polytech Inst & State Univ, Blacksburg, VA 24061 USA. [Quinn, H.; Graham, P.; Gokhale, M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Bhaduri, D (reprint author), Virginia Polytech Inst & State Univ, Blacksburg, VA 24061 USA. EM dbhaduri@vt.edu; shukla@vt.edu NR 27 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER PI DORDRECHT PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS SN 0929-1296 BN 978-0-387-74746-0 J9 FRONT ELECTRON TEST PY 2008 VL 37 BP 373 EP 397 D2 10.1007/978-0-387-74747-7 PG 25 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Instruments & Instrumentation SC Engineering; Science & Technology - Other Topics; Instruments & Instrumentation GA BJU82 UT WOS:000267217000018 ER PT B AU Dudenhoeffer, D Manic, M AF Dudenhoeffer, Donald Manic, Milos BE Bruzzone, A Longo, F Piera, MA Aguilar, RM Frydman, C TI FUZZY SIMULATION FOR INFRASTRUCTURE EFFECTS UNCERTAINTY ANALYSIS SO EMSS 2008: 20TH EUROPEAN MODELING AND SIMULATION SYMPOSIUM LA English DT Proceedings Paper CT 20th European Modeling and Simulation Symposium CY SEP 17-19, 2008 CL Amantea, ITALY SP Univ Calabria, Mech Dept, MSC-LES Modelin and Simulat Ctr, Lab Enterprise Solut, Univ Genoa, DIPTEM, Liophant Simulat, IEEE, Soc Comp Simulat Int, McLeod Inst Simula Sci, Modeling & Simulat Network, Int Mediterranean and Latin Amer Council Simulat, Auton Univ Barcelona, Univ La Laguna, Management & Adv Solut & Technol, Tonno Callipo, Liquiriszie Amarelli, Giulio Barca Prodotti Pelle DE fuzzy simulation; critical infrastructure; decision support system; interdependency modeling AB In this paper we propose a method for conducting infrastructure effects-based modeling in uncertain environments. Critical infrastructure is composed of intertwining physical and social networks. Events in one network often cascade to other networks creating a domino effect. This cascading effect is not always well understood due to uncertainties in the multiple levels of effect. To account for these uncertainties, we present a method using fuzzy finite state machines (FFSM). C1 [Dudenhoeffer, Donald] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Dudenhoeffer, D (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM Donald.dudenhoeffer@inl.gov; misko@uidaho.edu NR 12 TC 0 Z9 0 U1 0 U2 0 PU DIPTIM-UNIV GENOA BN 978-88-903724-0-7 PY 2008 BP 267 EP 273 PG 7 WC Computer Science, Artificial Intelligence; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods; Engineering, Multidisciplinary; Operations Research & Management Science SC Computer Science; Engineering; Operations Research & Management Science GA BNT88 UT WOS:000275530400041 ER PT S AU Kerarne, SA Cruz-Cabrera, AA Peters, DW Ellis, AR Briggs, RD Carter, TR Samora, S AF Kerarne, S. A. Cruz-Cabrera, A. A. Peters, D. W. Ellis, A. R. Briggs, R. D. Carter, T. R. Samora, S. BE Hayduk, MJ Delfyett, PJ Pirich, AR Donkor, EJ TI Managing thermal emission: Plasmon/photon coupling using diffractive optics technology - art. no. 697502 SO ENABLING PHOTONICS TECHNOLOGIES FOR DEFENSE, SECURITY, AND AEROSPACE APPLICATIONS IV SE PROCEEDINGS OF THE SOCIETY OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS (SPIE) LA English DT Proceedings Paper CT Conference on Enabling Photonics Technologies for Defense, Security, and Aerospace Application IV CY MAR 17-18, 2008 CL Orlando, FL SP SPIE DE emission; absorption; plasmons; diffractive; gratings; infrared; thermal ID NEAR-INFRARED REGION AB We will discuss a passive thermal emission management surface that can manipulate the direction and wavelength bands of emission. We are designing and fabricating diffractive optics in materials that support surface-polariton plasmons. We use a grating in this material to couple the thermally-generated plasmons to photons. Grating parameters, such as grating depth and duty cycle, are varied to optimize the plasmon/photon coupling efficiency. The grating configuration ensures a phased, radiative response if the plasmon decay length along the surface traverses many grating periods. All of these parameters, material indices and dimensions, determine the specular and angular "shape" of emission. C1 [Kerarne, S. A.; Cruz-Cabrera, A. A.; Peters, D. W.; Ellis, A. R.; Briggs, R. D.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Kerarne, SA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 10 TC 2 Z9 2 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 978-0-8194-7166-6 J9 P SOC PHOTO-OPT INS PY 2008 VL 6975 BP 97502 EP 97502 DI 10.1117/12.778529 PG 9 WC Engineering, Aerospace; Optics SC Engineering; Optics GA BIB15 UT WOS:000258064800001 ER PT J AU Feeley, TJ Skone, TJ Stlegel, GJ McNemar, A Nemeth, M Schimmoller, B Murph, JT Manfredo, L AF Feeley, Thomas J., III Skone, Timothy J. Stlegel, Gary J., Jr. McNemar, Andrea Nemeth, Michael Schimmoller, Brian Murph, James T. Manfredo, Lynn TI Water: A critical resource in the thermoelectric power industry SO ENERGY LA English DT Article DE water resource availability; thermoelectric power; water consumption; water withdrawal AB Water availability represents a growing concern for meeting future power generation needs. In the United States, projected population growth rates, energy consumption patterns, and demand from competing water use sectors will increase pressure on power generators to reduce water use. Water availability and use also exhibit strong regional variations, complicating the nature of public policy and technological response. The US Department of Energy's (DOE) National Energy Technology Laboratory (NETL) is engaged in a research and development (R&D) program to reduce freshwater withdrawal (total quantity of water utilized) and consumption (portion of withdrawal not returned to the source) from existing and future thermoelectric power generating facilities. The Innovations for Existing Plants (IEP) Program is currently developing technologies in 5 categories of water management projects to reduce water use while minimizing the impacts of plant operations on water quality. This paper outlines the freshwater withdrawal and consumption rates for various thermoelectric power generating types and then estimates the potential benefits of IEP program technologies at both the national and regional levels in the year 2030. NETL is working to protect and conserve water resources while leveraging domestic fossil fuel resources, such as coal, to increase national energy security. (C) 2007 Elsevier Ltd. All rights reserved. C1 [Skone, Timothy J.; Stlegel, Gary J., Jr.; Nemeth, Michael; Schimmoller, Brian; Murph, James T.; Manfredo, Lynn] Sci Applicat Int Corp, Pittsburgh, PA 15236 USA. [Feeley, Thomas J., III; McNemar, Andrea] US DOE, Natl Energy Techno Lab, Pittsburgh, PA 15236 USA. RP Skone, TJ (reprint author), Sci Applicat Int Corp, 626 Cochrans Mill Rd, Pittsburgh, PA 15236 USA. EM skoiiet@netl.doe.gov NR 9 TC 110 Z9 110 U1 5 U2 35 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-5442 J9 ENERGY JI Energy PD JAN PY 2008 VL 33 IS 1 BP 1 EP 11 DI 10.1016/j.energy.2007.08.007 PG 11 WC Thermodynamics; Energy & Fuels SC Thermodynamics; Energy & Fuels GA 242XS UT WOS:000251760100001 ER PT J AU Wray, C Akbari, H AF Wray, Craig Akbari, Hashem TI The effects of roof reflectance on air temperatures surrounding a rooftop condensing unit SO ENERGY AND BUILDINGS LA English DT Article DE cool roofs; solar reflectance; rooftop unit performance; energy efficiency AB Recent anecdotal information suggests that "cool" roofs might produce significant energy savings by reducing the temperature of air entering rooftop air-conditioner (RTU) condensers. Unfortunately, measurements to support this claim are not well documented. To overcome this problem, we carried out a set of six rigorous field experiments to determine the effects of roof reflectance on the heating of condenser inlet air by the roof, and to assess the effects of condenser fan operation on the potential recirculation of hot discharge air from the condenser. The experiments involved combinations of two roof conditions (a "hot" roof and then the same roof with a "cool" coating) and three RTU operation modes (condenser fan and compressor both operating, condenser fan operating without the compressor, and condenser fan and compressor both not operating). For each case, we continuously measured outdoor air temperature at 26 locations near and far from the RTU, as well as roof surface temperatures at 2 locations (1 near and 1 far from the RTU), wind speed and direction, and solar radiation. \With a "hot" roof and the compressor and condenser fan both operating, the air temperature at the condenser inlet was only 0.3 degrees C warmer on average during peak solar radiation times compared with a reference located far from the RTU. Applying a "cool" roof coating around the RTU eliminated this small temperature rise. The temperature rise was not significantly different when the condenser fan operated without the compressor, which suggests that hot air discharged by the condensing unit was not recirculated. Based on published relationships for cooling capacity and system power versus condenser inlet air temperature (normalized, respectively, by the capacity and power at the ARI outdoor temperature rating point of 35 degrees C) the 0.3 degrees C reduction in inlet air temperature associated with installing a cool roof corresponds to a decrease in RTU energy consumption of about 0.3-0.6% and an increase in EER of about 0.6-0.7%. Energy codes such as ASHRAE Standards 90.1 and 90.2 and California Title 24 already include energy saving credits related to cool roofs. Additional energy savings from reducing condenser inlet air temperature by installing a cool roof would only slightly increase these credits. Published by Elsevier B.V. C1 Lawrence Berkeley Natl Lab, Energy Performance Bldg Grp, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Heat Isl Grp, Berkeley, CA 94720 USA. RP Akbari, H (reprint author), Lawrence Berkeley Natl Lab, Energy Performance Bldg Grp, Berkeley, CA 94720 USA. EM H_Akbari@LBL.gov NR 24 TC 9 Z9 9 U1 0 U2 7 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0378-7788 J9 ENERG BUILDINGS JI Energy Build. PY 2008 VL 40 IS 1 BP 11 EP 28 DI 10.1016/j.enbuild.2007.01.005 PG 18 WC Construction & Building Technology; Energy & Fuels; Engineering, Civil SC Construction & Building Technology; Energy & Fuels; Engineering GA 238WX UT WOS:000251480200002 ER PT J AU Erhorn, H Mroz, T Morck, O Schmidt, F Schoff, L Thomsen, KE AF Erhorn, Hans Mroz, Tomasz Morck, Ove Schmidt, Fritz Schoff, Lorenz Thomsen, Kirsten Engelund TI The Energy Concept Adviser - A tool to improve energy efficiency in educational buildings SO ENERGY AND BUILDINGS LA English DT Article DE lEA annex 36; energy consumption; Energy Concept Adviser; energy savings AB Educational buildings such as kindergartens, schools and universities display many similar design, operation and maintenance features in most countries. The two most noteworthy similarities amongst these building types are the high energy consumption and the necessity for retrofitting many buildings within this sector. However, studies have shown that during retrofit, energy saving measures are only rarely applied, because the decision-makers lack knowledge of investments and the efficiency of potential energy saving measures. The main goal of the International Energy Agency ECBCS Annex 36 is to provide the educational building decision-makers with sufficient data, information and tools to improve their learning and teaching environments by improving the energy efficiency of their buildings. This is the background for the development of an Energy Concept Adviser (ECA) for energy and financial retrofit measures that is useful during the planning and concept development phases for educational buildings. On the one hand to help the owner to find the most efficient energy saving measures and on the other hand to prevent that exaggerated expectations are raised. The ECA should be applicable during the entire retrofitting phase to ensure that both the calculated energy savings and financial success will be achieved after retrofitting. This paper describes a tool that assists educational building decision-makers while the construction project is still in the design phase. This tool will improve new or existing buildings through the identification and calculation of potential energy savings. The ECA includes suggestions of energy systems to use and potential design concepts to be considered during the design phase. During the past 6 years, data have been gathered from all the 10 participating countries of the Annex 36. This electronic Internet-based tool incorporates an interactive source book of information, which includes design concepts, design advise, design and decision programs, and case studies. The tool has been translated into several languages. (c) 2007 Elsevier B.V. All rights reserved. C1 [Thomsen, Kirsten Engelund] Danish Bldg Res Inst, DK-2970 Horsholm, Denmark. [Erhorn, Hans] Fraunhofer Inst Bldg Phys, D-70569 Stuttgart, Germany. [Mroz, Tomasz] Poznan Tech Univ, Inst Environm Engn, PL-60965 Poznan, Poland. [Morck, Ove] Cenergia Energy Consultant, DK-2750 Ballerup, Denmark. [Schmidt, Fritz] Leiter Bereich F E Ennovatis GmbH, D-70469 Stuttgart, Germany. [Schoff, Lorenz] US DOE, Blacksburg, VA USA. RP Thomsen, KE (reprint author), Danish Bldg Res Inst, DK-2970 Horsholm, Denmark. EM ket@sbi.dk RI Mroz, Tomasz/K-8552-2014 NR 7 TC 13 Z9 13 U1 1 U2 14 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0378-7788 J9 ENERG BUILDINGS JI Energy Build. PY 2008 VL 40 IS 4 BP 419 EP 428 DI 10.1016/j.enbuild.2007.03.008 PG 10 WC Construction & Building Technology; Energy & Fuels; Engineering, Civil SC Construction & Building Technology; Energy & Fuels; Engineering GA 257HE UT WOS:000252789000002 ER PT J AU Zhou, N Lin, J AF Zhou, Nan Lin, Jiang TI The reality and future scenarios of commercial building energy consumption in China SO ENERGY AND BUILDINGS LA English DT Article DE China; Commercial building; Energy intensity; Energy efficiency; Scenario; Elasticity; Bottom-up modeling; Energy statistics; Energy consumption AB While China's 11th Five-Year Plan called for a reduction of energy intensity by 2010, whether and how the energy consumption trend can be changed in a short time has been hotly debated. This research intends to evaluate the impact of a variety of scenarios of gross domestic product (GDP) growth, energy elasticity and energy-efficiency improvement on energy consumption in commercial buildings in China using a detailed China End-Use Energy Model. China's official energy statistics have limited information on energy demand by end-use. This is a particularly pertinent issue for building energy consumption. The authors have applied reasoned judgments, based on experience of working on Chinese efficiency standards and energy-related programs, to present a realistic interpretation of the current energy data. The bottom-up approach allows detailed consideration of end-use intensity, equipment efficiency, etc., thus facilitating assessment of potential impacts of specific policy and technology changes on building energy use. The results suggest that: (1) commercial energy consumption in China's current statistics is underestimated by about 44%, and the fuel mix is misleading; (2) energy-efficiency improvements will not be sufficient to offset the strong increase in end-use penetration and intensity in commercial buildings: (3) energy intensity (particularly electricity) in commercial buildings will increase; (4) different GDP growth and elasticity scenarios could lead to a wide range of floor area growth trajectories, and therefore, significantly impact energy consumption in commercial buildings. (C) 2008 Elsevier B.V. All rights reserved. C1 [Zhou, Nan] Ernest Orlando Lawrence Berkeley Natl Lab, Energy Anal Dept, Berkeley, CA 94720 USA. RP Zhou, N (reprint author), Ernest Orlando Lawrence Berkeley Natl Lab, Energy Anal Dept, 1 Cyclotron Rd,MS 90R4000, Berkeley, CA 94720 USA. EM NZhou@lbl.gov FU McKinsey Global Institute (MGI) FX The authors thank the McKinsey Global Institute (MGI) for its support of this work. In particular the authors would like to thank Florian Bressand for his involvement and advice that helped shape many of the concepts presented here. NR 18 TC 31 Z9 31 U1 1 U2 15 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0378-7788 J9 ENERG BUILDINGS JI Energy Build. PY 2008 VL 40 IS 12 BP 2121 EP 2127 DI 10.1016/j.enbuild.2008.06.009 PG 7 WC Construction & Building Technology; Energy & Fuels; Engineering, Civil SC Construction & Building Technology; Energy & Fuels; Engineering GA 363OI UT WOS:000260276200003 ER PT J AU Devanathan, R AF Devanathan, Ram TI Recent developments in proton exchange membranes for fuel cells SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Review ID POLYMER ELECTROLYTE MEMBRANES; POLY(ARYLENE ETHER SULFONE); PERFLUOROSULFONIC ACID MEMBRANES; X-RAY-SCATTERING; COPOLYMER COMPOSITE MEMBRANES; MOLECULAR-DYNAMICS SIMULATION; HIGH-TEMPERATURE OPERATION; HUMIDITY PEFC OPERATION; BASE IONIC LIQUIDS; SOLID-STATE NMR AB Proton exchange membranes (PEMs) that operate at temperatures above 120 degrees C are needed to avoid catalyst poisoning, enhance electrochemical reactions, simplify the design and reduce the cost of fuel cells. This review summarizes developments in PEMs over the last five years. In order to design new membranes for elevated temperature operation, one must understand the chemistry, morphology and dynamics of protons and water molecules in existing membranes. The integration of experiment with modelling and simulation can shed light on the hierarchical structure of the membrane and dynamical processes associated with molecular transport. Based on such a fundamental understanding, membranes can be modified by controlling the polymer chemistry and architecture or adding inorganic fillers that can retain water under low relative humidity conditions. The development of anhydrous membranes based on phosphoric acid doped polymers, ionic liquid-infused polymer gels and solid acids can enable fuel cell operation above 150 degrees C. Considerable work remains to be done to identify proton transport mechanisms in novel membranes and evaluate membrane durability under real world operating conditions. C1 Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. RP Devanathan, R (reprint author), Pacific NW Natl Lab, Div Chem & Mat Sci, MS K8-87, Richland, WA 99352 USA. EM ram.devanathan@pnl.gov RI Devanathan, Ram/C-7247-2008 OI Devanathan, Ram/0000-0001-8125-4237 FU US Department of Energy's (DOE) Office of Basic Energy Sciences, Chemical Sciences program FX This work was supported by the US Department of Energy's (DOE) Office of Basic Energy Sciences, Chemical Sciences program under the Hydrogen Fuel Initiative. Pacific Northwest National Laboratory is operated by Battelle for DOE. NR 174 TC 230 Z9 237 U1 25 U2 169 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 EI 1754-5706 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PY 2008 VL 1 IS 1 BP 101 EP 119 DI 10.1039/b808149m PG 19 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA 414KB UT WOS:000263861300020 ER PT J AU Heldebrant, DJ Karkamkar, A Linehan, JC Autrey, T AF Heldebrant, David J. Karkamkar, Abhi Linehan, John C. Autrey, Tom TI Synthesis of ammonia borane for hydrogen storage applications SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID CHEMICAL EVIDENCE; THERMAL-DECOMPOSITION; LIQUID AMMONIA; METAL-SALTS; DIBORANE; DIAMMONIATE; BOROHYDRIDE; HYDRIDES; H3NBH3; CLEAVAGE AB A new synthetic procedure to make the condensed phase hydrogen storage material, ammonia borane (NH(3)BH(3), abbreviated as AB), is described and compared with previous literature procedures. Ammonia borane with a gravimetric density ca. 194 gm H(2) kg(-1) and a volumetric density ca. 146 H(2) litre(-1), is a promising chemical hydrogen storage material for fuel cell powered applications. The work shows that ammonium borohydride, NH(4)BH(4), formed in situ by the metathesis of NH(4)X and MBH(4) salts (M = Na, Li; X = Cl, F) in liquid NH(3), can be induced to decompose in an organic ether to yield AB in near quantitative yield. The purity of the AB prepared by this one-pot synthetic strategy is sufficient to meet the thermal stability requirements for on-board hydrogen storage. C1 [Heldebrant, David J.; Karkamkar, Abhi; Linehan, John C.; Autrey, Tom] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Heldebrant, DJ (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. FU Office of Basic Energy Sciences of the Department of Energy, Chemical Sciences program FX This work was supported by the Office of Basic Energy Sciences of the Department of Energy, Chemical Sciences program. The Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy. TA wishes to thank Sheldon Shore for brilliant discussions on the history of AB and DADB. NR 35 TC 56 Z9 59 U1 5 U2 36 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PY 2008 VL 1 IS 1 BP 156 EP 160 DI 10.1039/b808865a PG 5 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA 414KB UT WOS:000263861300026 ER PT J AU Jacobsen, GM Yang, JY Twamley, B Wilson, AD Bullock, RM DuBois, MR DuBois, DL AF Jacobsen, George M. Yang, Jenny Y. Twamley, Brendan Wilson, Aaron D. Bullock, R. Morris DuBois, M. Rakowski DuBois, Daniel L. TI Hydrogen production using cobalt-based molecular catalysts containing a proton relay in the second coordination sphere SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID FE-ONLY HYDROGENASE; PENDANT NITROGEN BASES; ACTIVE-SITE MODELS; HYDRIDE DONOR ABILITIES; IRON HYDROGENASE; DIPHOSPHINE LIGANDS; COMPLEXES M; FUNCTIONAL MODELS; PHOSPHINE-LIGANDS; NIFE HYDROGENASE AB The cobalt analogue of a highly active nickel electrocatalyst for hydrogen production has been synthesized and characterized as [Co(P(2)(Ph)N(2)(Ph))(2)(CH(3)CN)](BF(4))(2). In the presence of triflic acid in acetonitrile solution, the complex loses one cyclic diphosphine ligand to form [Co(P(2)(Ph)N(2)(Ph))(CH(3)CN)(3)](BF(4))(2), which has been synthesized independently and stucturally characterized. The latter complex serves as an electrocatalyst for hydrogen formation with a turnover frequency of 90 s(-1) and an overpotential of 285 mV using bromoanilinium tetrafluoroborate as the acid. A similar cobalt complex with a related diphosphine ligand that does not contain a pendant base is not catalytically active, confirming an important role for the pendant amine in the catalytic reaction. C1 [Jacobsen, George M.; Wilson, Aaron D.] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. [Yang, Jenny Y.; Bullock, R. Morris; DuBois, M. Rakowski; DuBois, Daniel L.] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. [Twamley, Brendan] Univ Idaho, Dept Chem, Moscow, ID 83844 USA. RP Jacobsen, GM (reprint author), Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. RI Wilson, Aaron/C-4364-2008; Bullock, R. Morris/L-6802-2016 OI Wilson, Aaron/0000-0001-5865-6537; Bullock, R. Morris/0000-0001-6306-4851 FU Office of Basic Energy Sciences of the Department of Energy FX This work was supported by the Chemical Sciences program of the Office of Basic Energy Sciences of the Department of Energy. The Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy. The Bruker (Siemens) SMART APEX diffraction facility was established at the University of Idaho with the assistance of the NSF-EPSCoR program and the M. J. Murdock Charitable Trust, Vancouver, WA, USA. NR 72 TC 97 Z9 97 U1 3 U2 27 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PY 2008 VL 1 IS 1 BP 167 EP 174 DI 10.1039/b805309j PG 8 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA 414KB UT WOS:000263861300028 ER PT J AU Hao, SQ Sholl, DS AF Hao, Shiqiang Sholl, David S. TI Using first-principles calculations to accelerate materials discovery for hydrogen purification membranes by modeling amorphous metals SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID DENSITY-FUNCTIONAL THEORY; ALLOY MEMBRANES; ATOMISTIC SIMULATIONS; MOLECULAR-DYNAMICS; DIFFUSION; STORAGE; PERMEATION; SOLUBILITY; GASIFICATION; SEPARATION AB Efficient purification of hydrogen from high temperature mixed gas streams can potentially play a critical role in the large-scale production of hydrogen from gasification of coal or biomass. Dense metal membranes have many favorable properties for this kind of purification, but existing membranes based on crystalline metal alloys have a number of limitations. The use of amorphous metal films as membranes has potential to overcome at least some of the disadvantages of crystalline metal membranes. We present new modeling methods that make it possible for the first time to quantitatively predict the performance of amorphous metal films as hydrogen purification membranes. These methods are introduced by examining amorphous Fe(3)B, a material where comparisons can be made to a crystalline material with the same composition. A membrane made from the amorphous material is predicted to have a hydrogen permeability 1.5-2 orders of magnitude higher than a crystalline membrane. The methods we introduce here will be useful in accelerating the development of amorphous membranes for practical applications. C1 [Hao, Shiqiang] Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. [Hao, Shiqiang] Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Sholl, David S.] Georgia Inst Technol, Sch Chem & Biomol Engn, Atlanta, GA 30332 USA. RP Hao, SQ (reprint author), Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. EM david.sholl@chbe.gatech.edu FU U.S. Department of Energy through the National Energy Technology Laboratory [41817M2044] FX This work was supported by the U.S. Department of Energy through the National Energy Technology Laboratory under grant No. 41817M2044. NR 58 TC 37 Z9 37 U1 1 U2 15 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PY 2008 VL 1 IS 1 BP 175 EP 183 DI 10.1039/b806909n PG 9 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA 414KB UT WOS:000263861300029 ER PT J AU Orbach, RL AF Orbach, Raymond L. TI The unity of science SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Editorial Material C1 US DOE, Washington, DC 20585 USA. RP Orbach, RL (reprint author), US DOE, 1000 Independence Ave SW, Washington, DC 20585 USA. NR 0 TC 0 Z9 0 U1 1 U2 3 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PY 2008 VL 1 IS 4 BP 415 EP 416 DI 10.1039/b812783m PG 2 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA 414TL UT WOS:000263888000001 ER PT J AU Schwartz, SE AF Schwartz, Stephen E. TI Uncertainty in climate sensitivity: Causes, consequences, challenges SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID SURFACE AIR-TEMPERATURE; GREENHOUSE GASES; CARBON-DIOXIDE; AEROSOLS; FEEDBACK; IMPACTS; AERONET; MODELS; TRENDS; LEVEL AB Fossil fuels supply about 85% of the world's primary energy, and future use would not appear limited by availability of reserves, especially of coal. Rather, future use of fossil fuels will likely be limited by controls on the emission of carbon dioxide into the atmosphere that are agreed to by the nations of the world. The increase in atmospheric CO2 over the past 200 years, mainly from fossil fuel combustion, is confidently thought to have increased global temperatures and induced other changes in Earth's climate, with the prospect of much more severe consequences from projected future emissions. Limiting such changes in Earth's climate would place major constraints on the combustion of fossil fuels and/or the emission of CO2 into the atmosphere. Developing effective and cost-effective strategies for limiting CO2 emissions requires the confident ability to project the changes in climate that would result from a given increase in atmospheric CO2. However, even the change in global mean surface temperature (GMST), the single most important index of climate change, that would result from a given increase in atmospheric CO2 remains uncertain to a factor of 2 or more, largely because of uncertainty in Earth's climate sensitivity, the change in GMST per change in radiative flux. This uncertainty in climate sensitivity, which gives rise to a comparable uncertainty in the shared global resource of the amount of fossil fuel that can be burned consonant with a given increase in global mean surface temperature, greatly limits the ability to effectively formulate strategies to limit climate change while meeting the world's future energy requirements. Key limits on determining climate sensitivity are the small change in downwelling longwave irradiance, less than one percent, that would give rise to changes in climate that reach the level of concern, the complexity of cloud processes and the difficulty of representing them in climate models, and limited understanding of the processes that control the radiative influences of atmospheric aerosols. A recent empirical calculation of Earth's climate sensitivity as the quotient of the relaxation time constant of GMST upon the effective heat capacity characterizing climate change on the multidecadal time scale points to a possible alternative approach to determining Earth's climate sensitivity. While improved knowledge of Earth's climate sensitivity is essential to development of optimal energy strategies, even for climate sensitivity at the low end of the range of present estimates, substantial reductions in CO2 emissions from their present values would be required to avert dangerous anthropogenic interference with the climate system that would otherwise occur well before the end of the present century. C1 Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA. RP Schwartz, SE (reprint author), Brookhaven Natl Lab, Div Atmospher Sci, Upton, NY 11973 USA. EM ses@bnl.gov RI Schwartz, Stephen/C-2729-2008 OI Schwartz, Stephen/0000-0001-6288-310X NR 90 TC 20 Z9 21 U1 2 U2 25 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 EI 1754-5706 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PY 2008 VL 1 IS 4 BP 430 EP 453 DI 10.1039/b810350j PG 24 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA 414TL UT WOS:000263888000003 ER PT J AU Heldebrant, DJ Yonker, CR Jessop, PG Phan, L AF Heldebrant, David J. Yonker, Clement R. Jessop, Philip G. Phan, Lam TI Organic liquid CO2 capture agents with high gravimetric CO2 capacity SO ENERGY & ENVIRONMENTAL SCIENCE LA English DT Article ID SPECTROPHOTOMETRIC BASICITY SCALE; CARBON-DIOXIDE; IONIC LIQUID; GAS-PHASE; ABSORPTION; ACETONITRILE; SOLVENTS; RELEASE; DBU; EXTENSION AB We report a new class of CO2 binding organic liquids that chemically capture and release CO2 much more efficiently than aqueous alkanolamine systems. Mixtures of organic alcohols and amidine/guanidine bases reversibly bind CO2 chemically as liquid amidinium/guanidinium alkylcarbonates. The free energy of CO2 binding in these organic systems is very small and dependent on the choice of base, approximately -9 kJ mol(-1) for DBU and Barton's base and +2 kJ mol(-1) for 1,1,3,3-tetramethylguanidine. These CO2 capturing agents do not require an added solvent because they are liquid, and therefore have high CO2 capacities of up to 19% by weight for neat systems, and slightly less when dissolved in acetonitrile. The rate of CO2 uptake and release by these organic systems is limited by the rate of dissolution of CO2 into and out of the liquid phase. Gas absorption is selective for CO2 in both concentrated and dilute gas streams. These organic systems have been shown to bind and release CO2 for five cycles without losing activity or selectivity. C1 [Heldebrant, David J.] Pacific NW Natl Lab, Mat Chem & Surface Res Grp, Energy & Efficiency Div, Richland, WA 99352 USA. [Yonker, Clement R.] Pacific NW Natl Lab, Mol Interact & Transformat Grp, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. [Jessop, Philip G.; Phan, Lam] Queens Univ, Dept Chem, Kingston, ON K7L 3N6, Canada. RP Heldebrant, DJ (reprint author), Pacific NW Natl Lab, Mat Chem & Surface Res Grp, Energy & Efficiency Div, Richland, WA 99352 USA. EM david.heldebrant@pnl.gov; clem.yonker@pnl.gov; jessop@chem.queensu.ca FU Department of Energy's Energy Conversion Initiative (ECI); Pacific Northwest National Laboratory (PNNL) Laboratory Directed Research and Development; U. S. Department of Energy. FX We would like to thank Richard Zheng for the design and assembly of the automated gas burette system and John C. Linehan for helpful discussions regarding the NMR measurements. This work was funded by the Department of Energy's Energy Conversion Initiative (ECI), providing internal Pacific Northwest National Laboratory (PNNL) Laboratory Directed Research and Development. PNNL is operated by Battelle for the U. S. Department of Energy. NR 30 TC 122 Z9 124 U1 4 U2 77 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1754-5692 J9 ENERG ENVIRON SCI JI Energy Environ. Sci. PY 2008 VL 1 IS 4 BP 487 EP 493 DI 10.1039/b809533g PG 7 WC Chemistry, Multidisciplinary; Energy & Fuels; Engineering, Chemical; Environmental Sciences SC Chemistry; Energy & Fuels; Engineering; Environmental Sciences & Ecology GA 414TL UT WOS:000263888000008 ER PT J AU Dilmore, R Lu, P Allen, D Soong, Y Hedges, S Fu, JK Dobbs, CL Degalbo, A Zhu, C AF Dilmore, Robert Lu, Peng Allen, Douglas Soong, Yee Hedges, Sheila Fu, Jaw K. Dobbs, Charles L. Degalbo, Angelo Zhu, Chen TI Sequestration of CO2 in mixtures of bauxite residue and saline wastewater SO ENERGY & FUELS LA English DT Article ID RED MUD; SYSTEM; NEUTRALIZATION; SOLUBILITIES; AQUIFERS AB Experiments were conducted to explore the concept of beneficially utilizing mixtures of caustic bauxite residue slurry (pH 13) and produced oil-field brine to sequester carbon dioxide from flue gas generated from industrial point sources. Data presented herein provide a preliminary assessment of the overall feasibility of this treatment concept. The Carbonation capacity of bauxite residue/brine mixtures was considered over the full range of reactant mixture combinations in 10% increments by volume. A bauxite residue/brine mixture of 90/10 by volume exhibited a CO2 sequestration capacity of greater than 9.5 g/L when exposed to pure CO2 at 20 degrees C and 0.689 MPa (100 psig). Dawsonite and calcite formation were predicted to be the dominant products of bauxite/brine mixture carbonation. It is demonstrated that CO2 sequestration is augmented by adding bauxite residue as a caustic agent to acidic brine solutions and that trapping is accomplished through both mineralization and solubilization. The product mixture solution was, in nearly all mixtures, neutralized following carbonation. However, in samples (bauxite residue/brine mixture of 90/10 by volume) containing bauxite residue solids, the pH was observed to gradually increase to as high as 9.7 after aging for 33 days, suggesting that the CO2 sequestration capacity of the samples increases with aging. Our geochemical models generally predicted the experimental results of carbon sequestration capacities and solution pH. C1 [Dilmore, Robert; Soong, Yee; Hedges, Sheila; Degalbo, Angelo] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [Lu, Peng; Zhu, Chen] Indiana Univ, Dept Geol Sci, Bloomington, IN 47405 USA. [Allen, Douglas] Salem State Coll, Salem, MA 01970 USA. [Fu, Jaw K.; Dobbs, Charles L.] ALCOA Tech Ctr, Alcoa Ctr, PA 15069 USA. RP Soong, Y (reprint author), US DOE, Natl Energy Technol Lab, POB 10940, Pittsburgh, PA 15236 USA. EM Yee.Soong@NETL.DOE.GOV RI Lu, Peng/C-5148-2011; Zhu, Chen/A-5356-2010 OI Zhu, Chen/0000-0001-5374-6787 NR 34 TC 18 Z9 18 U1 2 U2 13 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 J9 ENERG FUEL JI Energy Fuels PD JAN-FEB PY 2008 VL 22 IS 1 BP 343 EP 353 DI 10.1021/ef7003943 PG 11 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 252GJ UT WOS:000252434700052 ER PT J AU Ingram, L Mohan, D Bricka, M Steele, P Strobel, D Crocker, D Mitchell, B Mohammad, J Cantrell, K Pittman, CU AF Ingram, Leonard Mohan, Dinesh Bricka, Mark Steele, Philip Strobel, David Crocker, David Mitchell, Brian Mohammad, Javeed Cantrell, Kelly Pittman, Charles U., Jr. TI Pyrolysis of wood and bark in an auger reactor: Physical properties and chemical analysis of the produced bio-oils SO ENERGY & FUELS LA English DT Article ID BIOMASS FAST PYROLYSIS; VACUUM PYROLYSIS; SOFTWOOD BARK; COLLOIDAL PROPERTIES; SUGARCANE BAGASSE; AQUEOUS-PHASE; LIQUID FUEL; PART II; FORESTRY RESIDUE; RENEWABLE FUELS AB Bio-oil was produced at 450 degrees C by fast pyrolysis in a continuous auger reactor. Four feed stocks were used: pine wood, pine bark, oak wood, and oak bark. After extensive characterization of the whole bio-oils and their pyrolytic lignin-rich ethyl acetate fractions by gas chromatography/mass spectrometry (GC/MS), gel permeation chromatography (GPC), calorific values, viscosity dependences on shear rates and temperatures, elemental analyses, H-1 and C-13 NMR spectroscopy, water analyses, and ash content, these bio-oils were shown to be comparable to bio-oils produced by fast pyrolysis in fluidized bed and vacuum pyrolysis processes. This finding suggests that portable auger reactors might be used to produce bio-oil at locations in forests to generate bio-oil on-site for transport of the less bulky bio-oil (versus raw biomass) to biorefineries or power generation units. The pyrolysis reported herein had lower heat transfer rates than those achieved in fluidized bed reactors, suggesting significant further improvements are possible. C1 [Ingram, Leonard; Steele, Philip; Strobel, David; Mitchell, Brian; Cantrell, Kelly] Mississippi State Univ, Dept Forest Prod, Mississippi State, MS 39762 USA. [Mohan, Dinesh; Pittman, Charles U., Jr.] Mississippi State Univ, Dept Chem, Mississippi State, MS 39762 USA. [Bricka, Mark; Mohammad, Javeed] Mississippi State Univ, Dept Chem Engn, Mississippi State, MS 39762 USA. [Crocker, David] Mississippi State Univ, Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Ingram, L (reprint author), Mississippi State Univ, Dept Forest Prod, Mississippi State, MS 39762 USA. EM lingram@cfr.msstate.edu; cpittman@chemistry.msstate.edu OI Crocker, David/0000-0003-2341-4639; Mohan, Dinesh/0000-0002-3251-2946 NR 72 TC 188 Z9 194 U1 5 U2 122 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 J9 ENERG FUEL JI Energy Fuels PD JAN-FEB PY 2008 VL 22 IS 1 BP 614 EP 625 DI 10.1021/ef700335k PG 12 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 252GJ UT WOS:000252434700087 ER PT J AU Vine, E Hamrin, J AF Vine, Edward Hamrin, Jan TI Energy savings certificates: A market-based tool for reducing greenhouse gas emissions SO ENERGY POLICY LA English DT Article DE energy savings certificates; GHG emissions; energy efficiency AB Energy savings certificates (ESCs) are potentially a major tool that can be used by regulators and policy makers in reducing greenhouse gas (GHG) emissions. In this paper, we present our findings on the experience to date with ESCs, outline potential program opportunities in the US, and conclude with our perspective on how to proceed with the use of ESCs, particularly as a component of GHG reduction programs. (C) 2007 Elsevier Ltd. All rights reserved. C1 [Vine, Edward] Lawrence Berkeley Natl Lab, EETD, Berkeley, CA 94708 USA. [Hamrin, Jan] Ctr Resource Solut, San Francisco, CA 94129 USA. RP Vine, E (reprint author), Lawrence Berkeley Natl Lab, EETD, Bldg 90-4000, Berkeley, CA 94708 USA. EM elvine@lbl.gov NR 8 TC 18 Z9 19 U1 2 U2 5 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-4215 J9 ENERG POLICY JI Energy Policy PD JAN PY 2008 VL 36 IS 1 BP 467 EP 476 DI 10.1016/j.enpol.2007.10.001 PG 10 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA 250LH UT WOS:000252301100040 ER PT J AU Park, H Yoon, SS Jepsenc, RA Helster, SD Kim, HY AF Park, Hongbok Yoon, Sam S. Jepsenc, Richard A. Helster, Stephen D. Kim, Ho Y. TI Droplet bounce simulations and air pressure effects on the deformation of pre-impact droplets, using a boundary element method SO ENGINEERING ANALYSIS WITH BOUNDARY ELEMENTS LA English DT Article DE droplet impact; compressed gas; splashing; two-phase flow; bouncing droplet ID MOLTEN-METAL DROPLETS; SOLID-SURFACE AB An inviscid axisymmetric model capable of predicting both droplet bounce and the detailed pre-impact motion that is influenced by ambient pressure has been developed using a boundary element method (BEM). Previous simulations could not accurately describe the effect of the gas compressed between a falling droplet and the impacting substrate because most droplet impact simulations assumed that the droplet was already in contact with the impacting substrate at the beginning of the simulation. To properly account for the surrounding gas, the simulation must begin when the droplet is released from a certain height. High pressures are Computed in the gas phase in the region between the droplet and the impact surface at instances just prior to impact. This simulation shows that the droplet retains its spherical shape when the surface tension energy is dominant over the dissipative energy. When the Weber number is increased, the droplet's Surface structure is highly deformed due to the presence of capillary waves and, consequently, a pyramidal surface structure is formed. This phenomenon was verified experimentally. Parametric studies using our model include the pre-impact behavior that varies as a function of the Weber number and the surrounding gas pressure. (C) 2007 Elsevier Ltd. All rights reserved. C1 [Yoon, Sam S.; Kim, Ho Y.] Korea Univ, Dept Mech Engn, Seoul 136713, South Korea. [Helster, Stephen D.] Purdue Univ, Sch Aeronaut & Astronaut, W Lafayette, IN 47907 USA. [Jepsenc, Richard A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Park, Hongbok] ADD, Taejon 305152, South Korea. RP Yoon, SS (reprint author), Korea Univ, Dept Mech Engn, Anamdong 5-GA, Seoul 136713, South Korea. EM skyoon@korea.ac.kr NR 22 TC 4 Z9 4 U1 2 U2 17 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0955-7997 J9 ENG ANAL BOUND ELEM JI Eng. Anal. Bound. Elem. PD JAN PY 2008 VL 32 IS 1 BP 21 EP 31 DI 10.1016/j.enganabound.2007.07.002 PG 11 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Engineering; Mathematics GA 259CM UT WOS:000252916700003 ER PT J AU Litynski, JT Plasynski, S McIlvried, HG Mahoney, C Srivastava, RD AF Litynski, John T. Plasynski, Sean McIlvried, Howard G. Mahoney, Christopher Srivastava, Rameshwar D. TI The United States Department of Energy's Regional Carbon Sequestration Partnerships Program Validation Phase SO ENVIRONMENT INTERNATIONAL LA English DT Review DE carbon; sequestration; CO2; carbon dioxide; regional; partnerships; geologic; terrestrial ID INTEGRATED COLLABORATIVE TECHNOLOGY; RESEARCH-AND-DEVELOPMENT; CO2; SEPARATION; DIOXIDE; CAPTURE AB This paper reviews the Validation Phase (Phase H) of the Department of Energy's Regional Carbon Sequestration Partnerships initiative. In 2003, the U.S. Department of Energy created a nationwide network of seven Regional Carbon Sequestration Partnerships (RCSP) to help determine and implement the technology, infrastructure, and regulations most appropriate to promote carbon sequestration in different regions of the nation. The objectives of the Characterization Phase (Phase I) were to characterize the geologic and terrestrial opportunities for carbon sequestration; to identify CO2 point sources within the territories of the individual partnerships; to assess the transportation infrastructure needed for future deployment; to evaluate CO2 capture technologies for existing and future power plants; and to identify the most promising sequestration opportunities that would need to be validated through a series of field projects. The Characterization Phase was highly successful, with the following achievements: established a national network of companies and professionals working to support sequestration deployment; created regional and national carbon sequestration atlases for the United States and portions of Canada; evaluated available and developing technologies for the capture of CO2. from point sources; developed an improved understanding of the permitting requirements that future sequestration activities will need to address as well as defined the gap in permitting requirements for large scale deployment of these technologies; created a raised awareness of, and support for, carbon sequestration as a greenhouse gas (GHG) mitigation option, both within industry and among the general public; identified the most promising carbon sequestration opportunities for future field tests; and established protocols for project implementation, accounting, and management. Economic evaluation was started and is continuing and will be a factor in project selection. During the Validation Phase, the seven regional partnerships will put the knowledge learned during the Characterization Phase into practice through field tests that will validate carbon sequestration technologies that are best suited to their respective regions of the country. These tests will verify technologies developed through DOE's core R&D effort and enable implementation of CO2 sequestration on a large scale, should that become necessary. Pilot projects will have a site-specific focus to test technology; assess formation storage capacity and injectivity; validate and refine existing CO2 formation models used to determine the transport and fate Of CO2 in the formation; demonstrate the integrity of geologic seals to contain CO2; validate monitoring, mitigation, and verification (MMV) technologies; define project costs and compare costs of alternatives; assess potential operational and long-term storage risks; address regulatory requirements; and engage and evaluate public acceptance of sequestration technologies. Field validation tests involving both sequestration in geologic formations and terrestrial sequestration are being developed. The results from the Validation Phase will help to confirm the estimates made during the Characterization Phase and will be used to update the regional atlases and NatCarb. Answers to many questions about the effectiveness and safety of carbon sequestration technologies will be instrumental in planning for a Deployment Phase, in which large volume tests will be planned to further sequestration as an option that can mitigate GHG emissions in the United States. (C) 2007 Elsevier Ltd. All rights reserved. C1 [Litynski, John T.; Plasynski, Sean] US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. [Litynski, John T.; Plasynski, Sean] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. [McIlvried, Howard G.; Mahoney, Christopher; Srivastava, Rameshwar D.] Sci Applicat Int Corp, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Litynski, JT (reprint author), US DOE, Natl Energy Technol Lab, 3610 Collins Ferry Rd, Morgantown, WV 26507 USA. EM john.litynski@netl.doe.gov NR 19 TC 43 Z9 45 U1 0 U2 16 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0160-4120 J9 ENVIRON INT JI Environ. Int. PD JAN PY 2008 VL 34 IS 1 BP 127 EP 138 DI 10.1016/j.envint.2007.07.005 PG 12 WC Environmental Sciences SC Environmental Sciences & Ecology GA 254RE UT WOS:000252604900016 PM 17950875 ER PT J AU Yauk, CL Polyzos, A Rowan-Carroll, A Kortubash, I Williams, A Kovalchuk, O AF Yauk, Carole L. Polyzos, Aris Rowan-Carroll, Andrea Kortubash, Igor Williams, Andrew Kovalchuk, Olga TI Tandem repeat mutation, global DNA methylation, and regulation of DNA methyltransferases in cultured mouse embryonic fibroblast cells chronically exposed to chemicals with different modes of action SO ENVIRONMENTAL AND MOLECULAR MUTAGENESIS LA English DT Article DE expanded simple tandem repeat; mutation; methylation; DNA methyltransferases ID RADIATION-INDUCED MUTATION; EPIGENETIC TRANSGENERATIONAL ACTIONS; GERMLINE MUTATION; MINISATELLITE MUTATION; IN-VIVO; ENDOCRINE DISRUPTORS; HERITABLE MUTATIONS; GENOME INSTABILITY; CHERNOBYL ACCIDENT; DNMT1 DEFICIENCY AB Mutations at expanded simple tandem repeat (ESTR) DNA sequences provide a useful tool for screening germline mutation. However, the mechanisms resulting in induced mutations are unknown and provide an impediment to the utility of the method. Induced ESTR mutations arise through a nontargeted mechanism resulting in destabilization of the repeat locus. We hypothesized that alterations in DNA methylation, or in DNA methyltransferase expression, may be associated with this indirect mechanism of mutation. DNA mutation frequency was measured in C3H/10T1/2 mouse embryonic fibroblast cells following chronic exposure to six chemicals exhibiting different modes of genotoxic action: N-nitroso-N-ethylurea (ENU); benzo(a)pyrene (BaP); etoposide (STOP); okadaic acid (OA); cisplatin (CisPt); and 5-azacytidine (5azadC). Induced mutation ranged from 2-fold (ENU, BaP, ETOP), to 1.3-1.4 fold (OA, 5azadC), to nonresponsive (CisPt). Global DNA methylation, measured using the cytosine extension assay, revealed hypomethylation following exposure to ENU and 5azadC, hypermethylation following BaP and OA exposure, and no change following treatment with ETOP or CisPt. DNA methyltransferase transcription (Dnmt1, Dnmt3a, Dnmt3b) was significantly affected by all treatments except ETOP, with the vast majority of changes being downregulation. There was no direct correlation between ESTR mutation, global methylation, or DNA methyltransferase transcription. However, 4/5 ESTR mutagens caused changes in global methylation, while the noninducer (CisPt) did not cause changes in methylation. We hypothesize that chemicals that modify chromatin conformation through changes in methylation may compromise the ability of mismatch repair enzymes (or other enzymes) to access and repair secondary structures that may form across ESTR loci resulting in mutation. C1 [Yauk, Carole L.; Rowan-Carroll, Andrea; Williams, Andrew] Hlth Canada, Safe Environm Programme, Environm Hlth Sci & Res Bur, Ottawa, ON K1A 0L2, Canada. [Polyzos, Aris] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. [Kortubash, Igor; Kovalchuk, Olga] Univ Lethbridge, Dept Biol Sci, Lethbridge, AB T1K 3M4, Canada. RP Yauk, CL (reprint author), HECSB, Environm & Occupat Toxicol Div, Ottawa, ON K1A 0K9, Canada. EM carole_yauk@hc-sc.gc.ca OI Yauk, Carole/0000-0003-4919-876X NR 69 TC 22 Z9 25 U1 2 U2 6 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0893-6692 J9 ENVIRON MOL MUTAGEN JI Environ. Mol. Mutagen. PD JAN PY 2008 VL 49 IS 1 BP 26 EP 35 DI 10.1002/em.20359 PG 10 WC Environmental Sciences; Genetics & Heredity; Toxicology SC Environmental Sciences & Ecology; Genetics & Heredity; Toxicology GA 255JG UT WOS:000252653700005 PM 18172875 ER PT J AU Wellman, DM Glovack, JN Parker, K Richards, EL Pierce, EM AF Wellman, Dawn M. Glovack, Julia N. Parker, Kent Richards, Emily L. Pierce, Eric M. TI Sequestration and retention of uranium(VI) in the presence of hydroxylapatite under dynamic geochemical conditions SO ENVIRONMENTAL CHEMISTRY LA English DT Article DE kinetics; sorption; speciation ID IN-SITU TREATMENT; HYDROXYAPATITE ADDITION; CONTAMINATED SEDIMENTS; AQUEOUS-SOLUTIONS; IMMOBILIZATION; SOILS; SOLUBILITY; SPECIATION; SORPTION; METALS AB Numerous solid-and aqueous-phase phosphate-based technologies for remediating heavy metals and radionuclides have the common premise of sequestration by hydroxylapatite. Complexation reactions and hydrolysis generally preclude actinides from incorporation into intracrystalline sites; rather, surface sorption and precipitation are significant mechanisms for the sequestration of actinides. The effect of pH, aqueous speciation, and the availability of reactive surface sites on minerals such as hydroxylapatite have a significant impact on the mechanism and degree of sequestration and retention of variably charged contaminants such as uranium. Yet, little attention has been given to the sequestration and retention of uranium by hydroxylapatite under dynamic geochemical conditions that may be encountered during remediation activities. We present the results of an investigation evaluating the removal of uranium by hydroxylapatite in systems near equilibrium with respect to hydroxylapatite, and the effect of dynamic aqueous geochemical conditions, such as those encountered during and subsequent to remediation activities, on the retention of uranium. Results presented here support previous investigations demonstrating the efficiency of hydroxylapatite for sequestration of uranium and illustrate the importance of geochemical conditions, including changes to surface properties and aqueous speciation, on the sequestration and retention of uranium. C1 [Wellman, Dawn M.; Parker, Kent; Richards, Emily L.; Pierce, Eric M.] Pacific NW Natl Lab, Richland, WA 99354 USA. [Glovack, Julia N.] Colorado Sch Mines, Dept Chem & Geochem, Golden, CO 80401 USA. RP Wellman, DM (reprint author), Pacific NW Natl Lab, POB 999,K3-62, Richland, WA 99354 USA. EM dawn.wellman@pnl.gov RI Pierce, Eric/G-1615-2011 OI Pierce, Eric/0000-0002-4951-1931 NR 59 TC 15 Z9 15 U1 1 U2 16 PU CSIRO PUBLISHING PI COLLINGWOOD PA 150 OXFORD ST, PO BOX 1139, COLLINGWOOD, VICTORIA 3066, AUSTRALIA SN 1448-2517 J9 ENVIRON CHEM JI Environ. Chem. PY 2008 VL 5 IS 1 BP 40 EP 50 DI 10.1071/EN07060 PG 11 WC Chemistry, Analytical; Environmental Sciences SC Chemistry; Environmental Sciences & Ecology GA 265CP UT WOS:000253337000007 ER PT J AU Pierce, EM Richards, EL Davis, AM Reed, LR Rodriguez, EA AF Pierce, E. M. Richards, E. L. Davis, A. M. Reed, L. R. Rodriguez, E. A. TI Aluminoborosilicate waste glass dissolution under alkaline conditions at 40 degrees C: implications for a chemical affinity-based rate equation SO ENVIRONMENTAL CHEMISTRY LA English DT Article DE boron coordination; forward rate; free energy of hydration; low-activity waste glass; Transition State Theory ID ALTERATION KINETICS; NUCLEAR GLASS; RATE LAW; PH; 25-DEGREES-C; TEMPERATURE; DURABILITY; MECHANISMS; PLUTONIUM; MINERALS AB Single-pass flow-through experiments were conducted with aluminoborosilicate waste glasses to evaluate how changes in solution composition affect the dissolution rate (r) at 40 degrees C and pH (23 degrees C)= 9.0. The three prototypic low-activity waste (LAW) glasses, LAWE-1A, -95A and -290A, used in these experiments span a wide range covering the expected processing composition of candidate immobilised low-activity waste (ILAW) glasses. Results suggest incongruent release of Al, B, Na, and Si at low flow-rate (q) to sample surface area (S), in units of (m s(-1)), (log(10) (q/S) <-8.9) whereas congruent release is observed at high q/S (log(10) (q/S)>-7.9). Dissolution rates increase from log10 (q/S)approximate to -9.3 to -8.0 and then become constant at log10 (q/S)>-7.9. Forward (maximum) dissolution rates, based on B release, are the same irrespective of glass composition, evident by the dissolution rates being within the experimental error of one another (r(1A) = 0.0301 +/- 0.0153 gm(-2) day(-1), r(95A) = 0.0248 +/- 0.0125 gm(-2) day(-1), and r(290A) = 0.0389 +/- 0.0197 gm(-2) day(-1)). The results also illustrate that as the activity of SiO2(aq) increases, the rate of glass dissolution decreases to a residual rate. The pseudo-equilibrium constant, K-g, (log(10) (K-g)=-3.7) predicted with these results is slightly lower than the K for chalcedony (log(10) (K)=-3.48) at 40 degrees C. Finally, these results support the use of a chemical affinity-based rate law to describe glass dissolution as a function of solution composition. C1 [Pierce, E. M.; Richards, E. L.; Davis, A. M.; Reed, L. R.; Rodriguez, E. A.] Pacific NW Natl Lab, Energy & Environm Directorate, Richland, WA 99354 USA. RP Pierce, EM (reprint author), Pacific NW Natl Lab, Energy & Environm Directorate, POB 999,MS K3-62, Richland, WA 99354 USA. EM eric.pierce@pnl.gov RI Pierce, Eric/G-1615-2011 OI Pierce, Eric/0000-0002-4951-1931 NR 47 TC 10 Z9 10 U1 0 U2 8 PU CSIRO PUBLISHING PI COLLINGWOOD PA 150 OXFORD ST, PO BOX 1139, COLLINGWOOD, VICTORIA 3066, AUSTRALIA SN 1448-2517 J9 ENVIRON CHEM JI Environ. Chem. PY 2008 VL 5 IS 1 BP 73 EP 85 DI 10.1071/EN07058 PG 13 WC Chemistry, Analytical; Environmental Sciences SC Chemistry; Environmental Sciences & Ecology GA 265CP UT WOS:000253337000010 ER PT J AU Lee, RN Wright, BW AF Lee, Richard N. Wright, Bob W. TI Detection of Banned and Restricted Ozone-Depleting Chemicals in Printed Circuit Boards SO ENVIRONMENTAL FORENSICS LA English DT Article DE ozone-depleting chemicals; Montreal Protocol; residual solvents; purge and trap; precision cleaning; thermal desorption analysis ID VOLATILE ORGANIC-COMPOUNDS; GAS-CHROMATOGRAPHY; RESIDUAL SOLVENTS; HEADSPACE; PRODUCTS; FOODS AB A more-than-5-year study directed toward the detection of trace residual halogenated solvents in circuit boards was recently completed. This work was undertaken to demonstrate the potential for reliable detection of solvents used during the fabrication of printed circuit boards found in a wide variety of electronic products. Residual solvent detection was demonstrated for spiked boards after an aging period of 5 months and for printed circuit boards removed from a variety of used (at least 5 years old) and new electronic products. The analytical system and standard operating procedure developed during this study provide the tools required to assess and confirm compliance with regulations associated with the use of ozone depleting chemicals. C1 [Lee, Richard N.; Wright, Bob W.] Pacific NW Natl Lab, Natl Secur Directorate, Richland, WA 99352 USA. RP Wright, BW (reprint author), Pacific NW Natl Lab, Natl Secur Directorate, POB 999, Richland, WA 99352 USA. EM bob.wright@pnl.gov FU Internal Revenue Service (IRS) [DE-AC05-76RLO 1830]; Pacific Northwest National Laboratory (PNNL) FX This work was supported by Internal Revenue Service (IRS) under an Interagency Agreement with the US Department of Energy (DOE) under Contract DE-AC05-76RLO 1830 with the Pacific Northwest National Laboratory (PNNL). Battelle Memorial Institute operates the Pacific Northwest National Laboratory. The views, opinions, or findings contained within this report are those of the authors and should not be construed as official position, policy, or decision of the DOE or IRS unless designated by other documentation. NR 30 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 1527-5922 J9 ENVIRON FORENSICS JI Environ. Forensics PY 2008 VL 9 IS 4 BP 320 EP 339 AR PII 906614023 DI 10.1080/15275920802502083 PG 20 WC Environmental Sciences SC Environmental Sciences & Ecology GA 383LO UT WOS:000261675300006 ER PT J AU Marshall, MJ Plymale, AE Kennedy, DW Shi, L Wang, ZM Reed, SB Dohnalkova, AC Simonson, CJ Liu, CX Saffarini, DA Romine, MF Zachara, JM Beliaev, AS Fredrickson, JK AF Marshall, Matthew J. Plymale, Andrew E. Kennedy, David W. Shi, Liang Wang, Zheming Reed, Samantha B. Dohnalkova, Alice C. Simonson, Cody J. Liu, Chongxuan Saffarini, Daad A. Romine, Margaret F. Zachara, John M. Beliaev, Alexander S. Fredrickson, James K. TI Hydrogenase- and outer membrane c-type cytochrome-facilitated reduction of technetium(VII) by Shewanella oneidensis MR-1 SO ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID PUTREFACIENS MR-1; ESCHERICHIA-COLI; MICROBIAL REDUCTION; DESULFOVIBRIO-DESULFURICANS; DISSIMILATORY REDUCTION; ANAEROBIC RESPIRATION; MN(IV) REDUCTION; FE(III); BACTERIUM; OMCA AB Pertechnetate, Tc-99(VII)O-4(-), is a highly mobile radionuclide contaminant at US Department of Energy sites that can be enzymatically reduced by a range of anaerobic and facultatively anaerobic microorganisms, including Shewanella oneidensis MR-1, to poorly soluble Tc(IV)O-2(s). In other microorganisms, Tc(VII)O-4(-) reduction is generally considered to be catalysed by hydrogenase. Here, we provide evidence that although the NiFe hydrogenase of MR-1 was involved in the H-2-driven reduction of Tc(VII)O-4(-) [presumably through a direct coupling of H-2 oxidation and Tc(VII) reduction], the deletion of both hydrogenase genes did not completely eliminate the ability of MR-1 to reduce Tc(VII). With lactate as the electron donor, mutants lacking the outer membrane c-type cytochromes MtrC and OmcA or the proteins required for the maturation of c-type cytochromes were defective in reducing Tc(VII) to nanoparticulate TcO2.nH(2)O((s)) relative to MR-1 or a NiFe hydrogenase mutant. In addition, reduced MtrC and OmcA were oxidized by Tc(VII)O-4(-), confirming the capacity for direct electron transfer from these OMCs to TcO4-. c-Type cytochrome-catalysed Tc(VII) reduction could be a potentially important mechanism in environments where organic electron donor concentrations are sufficient to allow this reaction to dominate. C1 [Marshall, Matthew J.; Plymale, Andrew E.; Kennedy, David W.; Shi, Liang; Reed, Samantha B.; Romine, Margaret F.; Beliaev, Alexander S.; Fredrickson, James K.] Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99354 USA. [Wang, Zheming; Liu, Chongxuan; Zachara, John M.] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99354 USA. [Saffarini, Daad A.] Univ Wisconsin, Dept Biol Sci, Milwaukee, WI 53211 USA. RP Marshall, MJ (reprint author), Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99354 USA. EM matthew.marshall@pnl.gov RI Liu, Chongxuan/C-5580-2009; Wang, Zheming/E-8244-2010; Beliaev, Alexander/E-8798-2016; OI Wang, Zheming/0000-0002-1986-4357; Beliaev, Alexander/0000-0002-6766-4632; Kennedy, David/0000-0003-0763-501X; Romine, Margaret/0000-0002-0968-7641 NR 57 TC 41 Z9 44 U1 1 U2 39 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 1462-2912 J9 ENVIRON MICROBIOL JI Environ. Microbiol. PD JAN PY 2008 VL 10 IS 1 BP 125 EP 136 DI 10.1111/j.1462-2920.2007.01438.x PG 12 WC Microbiology SC Microbiology GA 252JO UT WOS:000252443000012 PM 17888007 ER PT S AU McIntosh, BS Giupponi, C Voinov, AA Smith, C Matthews, KB Monticino, M Kolkman, MJ Crossman, N van Ittersum, M Haase, D Haase, A Mysiak, J Groot, JCJ Sieber, S Verweij, P Quinn, N Waeger, P Gaber, N Hepting, D Scholten, H Sulis, A van Delden, H Gaddis, E Assaf, H AF McIntosh, B. S. Giupponi, C. Voinov, A. A. Smith, C. Matthews, K. B. Monticino, M. Kolkman, M. J. Crossman, N. van Ittersum, M. Haase, D. Haase, A. Mysiak, J. Groot, J. C. J. Sieber, S. Verweij, P. Quinn, N. Waeger, P. Gaber, N. Hepting, D. Scholten, H. Sulis, A. van Delden, H. Gaddis, E. Assaf, H. BE Jakeman, AJ Voinov, AA Rizzoli, AE Chen, SH TI BRIDGING THE GAPS BETWEEN DESIGN AND USE: DEVELOPING TOOLS TO SUPPORT ENVIRONMENTAL MANAGEMENT AND POLICY SO ENVIRONMENTAL MODELLING, SOFTWARE AND DECISION SUPPORT: STATE OF THE ART AND NEW PERSPECTIVES SE Developments in Integrated Environmental Assessment LA English DT Article; Book Chapter ID DECISION-SUPPORT; LAND-USE; RESOURCE-MANAGEMENT; MODELS; SYSTEMS; SIMULATION; COMMUNICATION; LANDSCAPE; KNOWLEDGE; SCIENCE C1 [McIntosh, B. S.] Cranfield Univ, Ctr Water Sci, Cranfield MK43 0AL, Beds, England. [Giupponi, C.] Univ Ca Foscari Venezia, Dipartimento Sci Econ, Ctr Environm Econ & Management, I-30121 Venice, Italy. [Voinov, A. A.] Chesapeake Res Consortium, Edgewater, MD 21037 USA. [Smith, C.] Oregon State Univ, Dept Anthropol, Corvallis, OR 97331 USA. [Matthews, K. B.] Macaulay Inst, Landscape Change Programme, Aberdeen AB15 8QH, Scotland. [Monticino, M.] Univ N Texas, Dept Math, Denton, TX 76203 USA. [Kolkman, M. J.] Univ Twente, Fac Engn Technol, NL-7500 AE Enschede, Netherlands. [Crossman, N.] CSIRO Land & Water, Policy & Econ Res Unit, Glen Osmond, SA 5064, Australia. [van Ittersum, M.] Wageningen Univ, NL-6700 AK Wageningen, Netherlands. [Haase, D.] UFZ, Dept Computat Landscape Ecol, Helmholtz Ctr Environm Res, D-04318 Leipzig, Germany. [Haase, A.] UFZ, Dept Urban & Environm Sociol, Helmholtz Ctr Environm Res, D-04318 Leipzig, Germany. [Mysiak, J.] Fdn Eni Enrico Mattei, I-30122 Venice, Italy. [Groot, J. C. J.] Wageningen Univ, NL-6709 PG Wageningen, Netherlands. [Sieber, S.] Leibniz Ctr Agr Landscape Res, D-15374 Muncheberg, Germany. [Verweij, P.] Alterra, NL-6700 AA Wageningen, Netherlands. [Quinn, N.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Waeger, P.] Empa, Mat Sci & Technol, Technol & Soc Lab, CH-9014 St Gallen, Switzerland. [Gaber, N.] US EPA, Washington, DC 20460 USA. [Hepting, D.] Univ Regina, Dept Comp Sci, Regina, SK S4S 0A2, Canada. [Scholten, H.] Wageningen Univ, Informat Technol Grp, NL-6706 EW Wageningen, Netherlands. [Sulis, A.] Univ Cagliari, Dept Land Engn, Hydraul Sectr, I-09123 Cagliari, CA, Italy. [van Delden, H.] RIKS, NL-6200 AL Maastricht, Netherlands. [Gaddis, E.] SWCA Environm Consultants, Salt Lake City, UT 84111 USA. [Assaf, H.] Amer Univ Beirut, Dept Civil & Environm Engn, Beirut 11072020, Lebanon. RP McIntosh, BS (reprint author), Cranfield Univ, Ctr Water Sci, Coll Rd, Cranfield MK43 0AL, Beds, England. RI Quinn, Nigel/G-2407-2015 OI Quinn, Nigel/0000-0003-3333-4763 NR 61 TC 8 Z9 8 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-101X BN 978-0-08-091530-2 J9 DEV INTEG ENVIRON PY 2008 VL 3 BP 33 EP 48 PG 16 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA BCO90 UT WOS:000310922300004 ER PT S AU Mysiak, J Brown, JD Jansen, JML Quinn, NWT AF Mysiak, J. Brown, J. D. Jansen, J. M. L. Quinn, N. W. T. BE Jakeman, AJ Voinov, AA Rizzoli, AE Chen, SH TI ENVIRONMENTAL POLICY AID UNDER UNCERTAINTY SO ENVIRONMENTAL MODELLING, SOFTWARE AND DECISION SUPPORT: STATE OF THE ART AND NEW PERSPECTIVES SE Developments in Integrated Environmental Assessment LA English DT Article; Book Chapter ID DECISION-MAKING; RISK; MANAGEMENT; INFORMATION; JUDGMENT; SCIENCE; BIASES; SUSTAINABILITY; PROBABILITY; METHODOLOGY C1 [Mysiak, J.] FEEM, I-30122 Venice, Italy. [Brown, J. D.] NOAA, Hydrol Ensemble Predict Grp, Off Hydrol Dev, NWS, Silver Spring, MD 20910 USA. [Jansen, J. M. L.] Univ Wageningen & Res Ctr, Alterra, NL-6700 AA Wageningen, Netherlands. [Quinn, N. W. T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Mysiak, J (reprint author), FEEM, Castello 5252, I-30122 Venice, Italy. RI Quinn, Nigel/G-2407-2015 OI Quinn, Nigel/0000-0003-3333-4763 NR 64 TC 3 Z9 3 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-101X BN 978-0-08-091530-2 J9 DEV INTEG ENVIRON PY 2008 VL 3 BP 87 EP 100 PG 14 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA BCO90 UT WOS:000310922300007 ER PT S AU Rizzoli, AE Leavesley, G Ascough, JC Argent, RM Athanasiadis, IN Brilhante, V Claeys, FHA David, O Donatelli, M Gijsbers, P Havlik, D Kassahun, A Krause, P Quinn, NWT Scholten, H Sojda, RS Villa, F AF Rizzoli, A. E. Leavesley, G. Ascough, J. C., II Argent, R. M. Athanasiadis, I. N. Brilhante, V. Claeys, F. H. A. David, O. Donatelli, M. Gijsbers, P. Havlik, D. Kassahun, A. Krause, P. Quinn, N. W. T. Scholten, H. Sojda, R. S. Villa, F. BE Jakeman, AJ Voinov, AA Rizzoli, AE Chen, SH TI INTEGRATED MODELLING FRAMEWORKS FOR ENVIRONMENTAL ASSESSMENT AND DECISION SUPPORT SO ENVIRONMENTAL MODELLING, SOFTWARE AND DECISION SUPPORT: STATE OF THE ART AND NEW PERSPECTIVES SE Developments in Integrated Environmental Assessment LA English DT Article; Book Chapter ID SYSTEMS C1 [Rizzoli, A. E.; Athanasiadis, I. N.] IDSIA, CH-6928 Manno, Switzerland. [Leavesley, G.; David, O.] US Geol Survey, Denver Fed Ctr, Lakewood, CO 80225 USA. [Ascough, J. C., II] ARS, USDA, NPA, Agr Syst Res Unit, Ft Collins, CO 80526 USA. [Argent, R. M.] Bur Meteorol, Water Div, Melbourne, Vic 3001, Australia. [Brilhante, V.] Univ Fed Amazonas, Dept Comp Sci, BR-69077000 Manaus, Amazonas, Brazil. [Claeys, F. H. A.] Univ Ghent, Dept Appl Math Biometr & Proc Control, B-9000 Ghent, Belgium. [Donatelli, M.] Joint Res Ctr, IPSC, Agri4cast Act, I-21027 Ispra, VA, Italy. [Gijsbers, P.] WL Delft Hydraul, Inland Water Syst, NL-2600 MH Delft, Netherlands. [Havlik, D.] Austrian Res Ctr GmbH, ARC, Smart Syst Div, A-2444 Seibersdorf, Austria. [Kassahun, A.] Informat Technol Grp, Dept Social Sci, NL-6706 KN Wageningen, Netherlands. [Krause, P.] Univ Jena, Inst Geog, Lehrstuhl Geoinformat, D-07743 Jena, Germany. [Quinn, N. W. T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Scholten, H.] Wageningen Univ, Informat Technol Grp, NL-6706 EW Wageningen, Netherlands. [Sojda, R. S.] Montana State Univ, USDI, No Rocky Mt Sci Ctr, Bozeman, MT 59717 USA. [Villa, F.] Univ Vermont, Gund Inst Ecol Econ, Burlington, VT 05405 USA. RP Rizzoli, AE (reprint author), IDSIA, Galleria 2, CH-6928 Manno, Switzerland. RI Rizzoli, Andrea Emilio/B-2985-2010; Quinn, Nigel/G-2407-2015 OI Rizzoli, Andrea Emilio/0000-0001-8179-0750; Quinn, Nigel/0000-0003-3333-4763 NR 27 TC 9 Z9 9 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-101X BN 978-0-08-091530-2 J9 DEV INTEG ENVIRON PY 2008 VL 3 BP 101 EP 118 PG 18 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA BCO90 UT WOS:000310922300008 ER PT S AU Assaf, H van Beek, E Borden, C Gijsbers, P Jolma, A Kaden, S Kaltofen, M Labadie, JW Loucks, DP Quinn, NWT Sieber, J Sulis, A Werick, WJ Wood, DM AF Assaf, H. van Beek, E. Borden, C. Gijsbers, P. Jolma, A. Kaden, S. Kaltofen, M. Labadie, J. W. Loucks, D. P. Quinn, N. W. T. Sieber, J. Sulis, A. Werick, W. J. Wood, D. M. BE Jakeman, AJ Voinov, AA Rizzoli, AE Chen, SH TI GENERIC SIMULATION MODELS FOR FACILITATING STAKEHOLDER INVOLVEMENT IN WATER RESOURCES PLANNING AND MANAGEMENT: A COMPARISON, EVALUATION, AND IDENTIFICATION OF FUTURE NEEDS SO ENVIRONMENTAL MODELLING, SOFTWARE AND DECISION SUPPORT: STATE OF THE ART AND NEW PERSPECTIVES SE Developments in Integrated Environmental Assessment LA English DT Article; Book Chapter C1 [Assaf, H.] Amer Univ Beirut, Dept Civil & Environm Engn, Beirut 11072020, Lebanon. [van Beek, E.] Univ Twente, Delft Hydraul, NL-2600 MH Delft, Netherlands. [Borden, C.] Univ Idaho, DHI Water Environm, Boise, ID 83702 USA. [Gijsbers, P.] WL Delft Hydraul, Inland Water Syst, NL-2600 MH Delft, Netherlands. [Jolma, A.] Aalto Univ, Helsinki 02015, Finland. [Kaden, S.; Kaltofen, M.] WASY GmbH, Inst Water Resources Planning & Syst Res, D-12526 Berlin, Germany. [Labadie, J. W.] Colorado State Univ, Dept Civil & Environm Engn, Ft Collins, CO 80523 USA. [Loucks, D. P.] Cornell Univ, Ithaca, NY 14853 USA. [Quinn, N. W. T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Sieber, J.] US Ctr, Stockholm Environm Inst, Somerville, NJ 02144 USA. [Sulis, A.] Univ Cagliari, Dept Land Engn, Hydraul Sect, I-09123 Cagliari, CA, Italy. [Wood, D. M.] Danish Hydraul Inst, Oakland, CA USA. RP Assaf, H (reprint author), Amer Univ Beirut, Dept Civil & Environm Engn, POB 11-0236, Beirut 11072020, Lebanon. RI Quinn, Nigel/G-2407-2015 OI Quinn, Nigel/0000-0003-3333-4763 NR 20 TC 4 Z9 4 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-101X BN 978-0-08-091530-2 J9 DEV INTEG ENVIRON PY 2008 VL 3 BP 229 EP 246 PG 18 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA BCO90 UT WOS:000310922300014 ER PT S AU Erickson, DJ Oglesby, RJ Elliott, S Steffen, W Brasseur, G AF Erickson, D. J., III Oglesby, R. J. Elliott, S. Steffen, W. Brasseur, G. BE Jakeman, AJ Voinov, AA Rizzoli, AE Chen, SH TI CHALLENGES IN EARTH SYSTEM MODELLING: APPROACHES AND APPLICATIONS SO ENVIRONMENTAL MODELLING, SOFTWARE AND DECISION SUPPORT: STATE OF THE ART AND NEW PERSPECTIVES SE Developments in Integrated Environmental Assessment LA English DT Article; Book Chapter ID PRECIPITATION PROCESSES; CLIMATE-CHANGE; SIMULATION C1 [Erickson, D. J., III] Oak Ridge Natl Lab, Div Math & Comp Sci, Computat Earth Sci Grp, Oak Ridge, TN 37831 USA. [Oglesby, R. J.] Univ Nebraska, Dept Geosci, Lincoln, NE 68588 USA. [Oglesby, R. J.] Univ Nebraska, Sch Nat Resources, Lincoln, NE 68588 USA. [Elliott, S.] Los Alamos Natl Lab, Los Alamos, NM 87505 USA. [Steffen, W.] Australian Natl Univ, Coll Sci, Fenner Sch Environm & Soc, Canberra, ACT 0200, Australia. [Brasseur, G.] Natl Ctr Atmospher Res, Boulder, CO 80307 USA. RP Erickson, DJ (reprint author), Oak Ridge Natl Lab, Div Math & Comp Sci, Computat Earth Sci Grp, Oak Ridge, TN 37831 USA. NR 19 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-101X BN 978-0-08-091530-2 J9 DEV INTEG ENVIRON PY 2008 VL 3 BP 297 EP 306 PG 10 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA BCO90 UT WOS:000310922300018 ER PT J AU Zhao, D Chen, C Wang, Y Ma, W Zhao, J Rajh, T Zang, L AF Zhao, Dan Chen, Chuncheng Wang, Yifeng Ma, Wanhong Zhao, Jincai Rajh, Tijana Zang, Ling TI Enhanced photocatalytic degradation of dye pollutants under visible irradiation on Al(III)-modified TiO2: Structure, interaction, and interfacial electron transfer SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID SENSITIZED SOLAR-CELLS; BINARY METAL-OXIDES; LIGHT IRRADIATION; PHOTOASSISTED DEGRADATION; PHOTOSENSITIZED DEGRADATION; RECOMBINATION DYNAMICS; CHARGE RECOMBINATION; SULFORHODAMINE-B; SURFACE-ACIDITY; RHODAMINE-B AB Aluminum(III)-modified TiO2 was prepared by sol-gel process via a sudden gelating method. The structure of the modified material and the local environment of aluminum were investigated using X-ray diffraction, HRTEM, XpS, (27)AI MAS NMR, and xi-potential measurements. The effect of the aluminum modification on interaction between the dye and photocatalyst, the interfacial electron transfer process, and thereby the degradation of dye pollutants under visible irradiation were also examined by FIR spectra and UV-vis diffuse reflectance spectra. It was found that, rather than incorporating into the crystal lattice of TiO2, the aluminum forms an overlayer of Al2O3 on the surface of TiO2, interfaced with Ti-O-Al bonds. It is interesting that the carboxylate-containing dyes such as Rhodamine B (RhB) adsorb preferentially on the Al2O3, rather than the Ti(IV) sites on the surface of TiO2. The photodegradation rate observed for RhB is nearly 5-fold faster than that obtained in the pristine TiO2 system. The photodegradation of dyes on the aluminum(Ill)-modified photocatalyst is of great dependence on the structure and anchoring group of the dyes. Structure with carboxylate as anchoring group and amino group as electron donor is favorable for degradation. The mechanistic details are discussed on the basis of experimental results. C1 [Zhao, Dan; Chen, Chuncheng; Wang, Yifeng; Ma, Wanhong; Zhao, Jincai] Chinese Acad Sci, Inst Chem, Key Lab Photochem, Beijing Natl Lab Mol Sci, Beijing 100080, Peoples R China. [Rajh, Tijana] Argonne Natl Lab, Div Mat Sci, Div Chem, Argonne, IL 60439 USA. [Zang, Ling] So Illinois Univ, Dept Chem & Biochem, Carbondale, IL 62901 USA. RP Chen, C (reprint author), Chinese Acad Sci, Inst Chem, Key Lab Photochem, Beijing Natl Lab Mol Sci, Beijing 100080, Peoples R China. EM jczhao@iccas.ac.cn NR 45 TC 106 Z9 111 U1 10 U2 87 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0013-936X J9 ENVIRON SCI TECHNOL JI Environ. Sci. Technol. PD JAN 1 PY 2008 VL 42 IS 1 BP 308 EP 314 DI 10.1021/es071770e PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 246WC UT WOS:000252037400050 PM 18350913 ER PT J AU Mir, L AF Mir, Laurence TI Exposure to radio frequency radiation of AM transmitters and infantile cancers SO ENVIRONNEMENT RISQUES & SANTE LA French DT News Item AB This case-control study in children included enough subjects to detect a carcinogenic effect of exposure to AM radio frequency radiation. It found no increased risk of brain cancer. The results about the risk of lymphoblastic leukemia do not permit any definitive conclusions. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Indoor Environm Dept, Berkeley, CA 94720 USA. RP Mir, L (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Indoor Environm Dept, Berkeley, CA 94720 USA. NR 1 TC 0 Z9 0 U1 0 U2 1 PU JOHN LIBBEY EUROTEXT LTD PI MONTROUGE PA 127 AVE DE LA REPUBLIQUE, 92120 MONTROUGE, FRANCE SN 1635-0421 J9 ENVIR RISQUES SANTE PD JAN-FEB PY 2008 VL 7 IS 1 BP 11 EP 12 PG 2 WC Public, Environmental & Occupational Health SC Public, Environmental & Occupational Health GA 270WX UT WOS:000253752000007 ER PT S AU Russell, AM Frerichs, AE Gschneidner, KA Biner, SB Chumbley, LS Xie, SJ Williams, SH Chen, Q Becker, AT AF Russell, Alan M. Frerichs, Andrew E. Gschneidner, Karl A., Jr. Biner, S. Bulent Chumbley, L. Scott Xie, Sujing Williams, Scott H. Chen, Qian Becker, Andrew T. BE Howard, SM TI Progress in understanding the high ductility of rare earth B2 (CsCI-type) intermetallics SO EPD CONGRESS 2008 SE EPD CONGRESS LA English DT Proceedings Paper CT EPD Congress 2008 held at the 2008 Annual TMS Meeting and Exhibition CY MAR 09-13, 2008 CL New Orleans, LA SP Minerals, Met & Mat Soc, Extract & Proc Div DE rare earth metals; intermetallics; mechanical properties; ductility ID INDEPENDENT SLIP SYSTEMS; NIAL SINGLE-CRYSTALS; MECHANICAL-PROPERTIES; FRACTURE-TOUGHNESS; ROOM-TEMPERATURE; COMPOUND AGMG; PLASTIC DEFORMATION; TENSILE DUCTILITY; ALLOYS; BEHAVIOR AB In recent years, several rare earth intermetallic compounds with the B2-type structure have been reported to exhibit high tensile ductility and high K-IC fracture toughness at room temperature. These materials retain considerable ductility even at 77K. These are noteworthy findings because most intermetallics possess poor room temperature ductility and low fracture toughness unless one or more special contrivances are applied (e.g., doping with small additions of interstitial elements, off-stoichiometric compositions, testing in ultra-dry atmospheres, etc.). This paper summarizes recent findings on rare earth B2 intermetallics. These include the determination of the active slip systems; the strain rate sensitivities; yield strength maxima at elevated temperatures; the search for possible twinning and stress-induced phase transformations; ab initio calculations of their defect energies and the anisotropy of dislocation line tension. Potential applications of these materials and the possibilities that this study may suggest strategies for increasing ductility in other intermetallic compounds are discussed. C1 [Russell, Alan M.] US DOE, Mat Engn Phys Program, Ames Lab, Ames, IA 50011 USA. RP Russell, AM (reprint author), US DOE, Mat Engn Phys Program, Ames Lab, Ames, IA 50011 USA. NR 60 TC 0 Z9 0 U1 1 U2 1 PU MINERALS, METALS & MATERIALS SOC PI WARRENDALE PA 184 THORN HILL RD, WARRENDALE, PA 15086-7514 USA SN 1079-7580 BN 978-0-87339-715-5 J9 EPD CONG PY 2008 BP 587 EP 606 PG 20 WC Engineering, Environmental; Metallurgy & Metallurgical Engineering SC Engineering; Metallurgy & Metallurgical Engineering GA BHQ95 UT WOS:000255551100068 ER PT J AU Goldfarb, NI Bae, A Buras, WJ Allen, JC Maletic-Savatic, MM Fisher, RS Anschel, DJ AF Goldfarb, Noah I. Bae, A. Buras, W. J. Allen, J. C. Maletic-Savatic, M. M. Fisher, R. S. Anschel, D. J. TI ANTI-EPILEPTIC PROPERTY NOT PRESENT IN RAT CEREBROSPINAL FLUID FOLLOWING 30 MINUTES OR TWO WEEKS OF VAGUS NERVE STIMULATION SO EPILEPSIA LA English DT Meeting Abstract CT 62nd Annual Meeting of the American-Epilepsy-Society CY DEC 05-09, 2008 CL Seattle, WA SP Amer Epilepsy Soc C1 [Goldfarb, Noah I.; Bae, A.; Maletic-Savatic, M. M.] SUNY Stony Brook, Stony Brook, NY 11794 USA. [Maletic-Savatic, M. M.; Anschel, D. J.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Fisher, R. S.] Stanford Univ, Stanford, CA 94305 USA. [Anschel, D. J.] St Charles Hosp, Port Jefferson, NY USA. NR 0 TC 0 Z9 0 U1 0 U2 2 PU WILEY-BLACKWELL PUBLISHING, INC PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0013-9580 J9 EPILEPSIA JI Epilepsia PY 2008 VL 49 BP 300 EP 301 PG 2 WC Clinical Neurology SC Neurosciences & Neurology GA 363ZS UT WOS:000260306600719 ER PT J AU Andrew, Y Hawkes, NC Biewer, T Crombe, K Keeling, D De La Luna, E Giroud, C Korotkov, A Meigs, A Murari, A Nunes, I Sartori, R Tala, T AF Andrew, Y. Hawkes, N. C. Biewer, T. Crombe, K. Keeling, D. De La Luna, E. Giroud, C. Korotkov, A. Meigs, A. Murari, A. Nunes, I. Sartori, R. Tala, T. CA JET-EFDA Contributors TI Evolution of the radial electric field in a JET H-mode plasma SO EPL LA English DT Article ID TRANSITION; CONFINEMENT; TOKAMAK AB Results from recent measurements of carbon impurity ion toroidal and poloidal rotation velocities, ion temperature, ion density and the resulting radial electric field (Er) profiles are presented from an evolving Joint European Torus (JET) tokamak plasma over a range of energy and particle confinement regimes. Significant levels of edge plasma poloidal rotation velocity have been measured for the first time on JET, with maximum values of +/- 9 kms(-1). Such values of poloidal rotation provide an important contribution to the total edge plasma Er profiles. Large values of shear in the measured Er profiles are observed to arise as a consequence of the presence of the edge transport barrier (ETB) and do not appear to be necessary for their formation or destruction. These results have an important impact on potential mechanisms for transport barrier triggering and sustainment in present-day and future high-performance fusion plasmas. Copyright (c) EPLA, 2008. C1 [Andrew, Y.; Hawkes, N. C.; Biewer, T.; Crombe, K.; Keeling, D.; De La Luna, E.; Giroud, C.; Korotkov, A.; Meigs, A.; Murari, A.; Nunes, I.; Sartori, R.; Tala, T.; JET-EFDA Contributors] Culham Sci Ctr, JET EFDA, Abingdon OX14 3DB, Oxon, England. [Andrew, Y.; Hawkes, N. C.; Keeling, D.; Giroud, C.; Korotkov, A.; Meigs, A.] Culham Sci Ctr, UKAEA Euratom Fus Assoc, Abingdon OX14 3DB, Oxon, England. [Biewer, T.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Crombe, K.] Univ Ghent, Dept Appl Phys, Ghent, Belgium. [De La Luna, E.] CIEMAT, Asocias EURATOM Fus, E-28040 Madrid, Spain. [Murari, A.] EURATOM, ENEA, Consorzio RFX, Padua, Italy. [Nunes, I.] Ctr Fusao Nucl, Associacao EURATOM IST, Lisbon, Portugal. [Sartori, R.] EFDA CSU, D-85748 Garching, Germany. [Tala, T.] Assoc EURATOM Tekes, FIN-02044 Espoo, Finland. RP Andrew, Y (reprint author), Culham Sci Ctr, JET EFDA, Abingdon OX14 3DB, Oxon, England. RI Nunes, Isabel/D-1627-2017; OI Nunes, Isabel/0000-0003-0542-1982 FU UK EPSRC; EC FX This work was carried out within the framework of EFDA and was partly funded by the UK EPSRC and EC under the contract of Association between EURATOM/UKAEA. The views and opinions expressed herein do not necessarily reflect those of the European Commission. NR 14 TC 13 Z9 13 U1 0 U2 10 PU EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY PI MULHOUSE PA 6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE SN 0295-5075 J9 EPL-EUROPHYS LETT JI EPL PY 2008 VL 83 IS 1 AR 15003 DI 10.1209/0295-5075/83/15003 PG 6 WC Physics, Multidisciplinary SC Physics GA 345TQ UT WOS:000259020300015 ER PT J AU Bobrov, NL Chernobay, VN Naidyuk, YG Tyutrina, LV Naugle, DG Rathnayaka, KDD Bud'ko, SL Canfield, PC Yanson, IK AF Bobrov, N. L. Chernobay, V. N. Naidyuk, Yu. G. Tyutrina, L. V. Naugle, D. G. Rathnayaka, K. D. D. Bud'ko, S. L. Canfield, P. C. Yanson, I. K. TI Competition of multiband superconducting and magnetic order in ErNi2B2C observed by Andreev reflection SO EPL LA English DT Article ID POINT-CONTACT SPECTROSCOPY; SINGLE-CRYSTAL ERNI2B2C; ANTIFERROMAGNETIC SUPERCONDUCTORS; BOROCARBIDES; COEXISTENCE; LUNI2B2C AB Point contacts (PC) Andreev reflection dV/dI spectra for the antiferromagnetic (T-N similar or equal to 6K) superconductor (T-c similar or equal to 11 K) ErNi2B2C have been measured for the two main crystallographic directions. The observed retention of the Andreev reflection minima in dV/dI up to T-c directly points to an unusual superconducting order parameter (OP) vanishing at T-c. The temperature dependence of the OP was obtained from dV/dI using the recent theory of Andreev reflection including the pair-breaking effect. For the first time the existence of two superconducting OPs in ErNi2B2C is shown. A distinct decrease of both OPs as temperature is lowered below T-N is observed. Copyright (C) EPLA, 2008. C1 [Bobrov, N. L.; Chernobay, V. N.; Naidyuk, Yu. G.; Tyutrina, L. V.; Yanson, I. K.] Natl Acad Sci Ukraine, B Verkin Inst Low Temp Phys & Engn, UA-61103 Kharkov, Ukraine. [Naugle, D. G.; Rathnayaka, K. D. D.] Texas A&M Univ, Dept Phys, College Stn, TX 77843 USA. [Bud'ko, S. L.; Canfield, P. C.] Iowa State Univ, Ames Lab, Dept Phys & Astron, Ames, IA 50011 USA. RP Bobrov, NL (reprint author), Natl Acad Sci Ukraine, B Verkin Inst Low Temp Phys & Engn, 47 Lenin Ave, UA-61103 Kharkov, Ukraine. EM naidyuk@ilt.kharkov.ua RI Naidyuk, Yurii/B-7579-2012; Canfield, Paul/H-2698-2014; OI Naidyuk, Yurii/0000-0001-8301-9353 NR 21 TC 9 Z9 9 U1 0 U2 0 PU EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY PI MULHOUSE PA 6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE SN 0295-5075 EI 1286-4854 J9 EPL-EUROPHYS LETT JI EPL PY 2008 VL 83 IS 3 AR 37003 DI 10.1209/0295-5075/83/37003 PG 5 WC Physics, Multidisciplinary SC Physics GA 345UM UT WOS:000259022600030 ER PT J AU Chattopadhyay, MK Roy, SB Morrison, K Moore, JD Perkins, GK Cohen, LF Gschneidner, KA Pecharsky, VK AF Chattopadhyay, M. K. Roy, S. B. Morrison, K. Moore, J. D. Perkins, G. K. Cohen, L. F. Gschneidner, K. A., Jr. Pecharsky, V. K. TI Visual evidence of the magnetic glass state and its re-crystallization in Gd5Ge4 SO EPL LA English DT Article ID PHASE-TRANSITION; LIQUIDS; GD-5(SI1.8GE2.2); GD-5(SI2GE2); BEHAVIOR; FIELD AB We present the results of scanning Hall probe microscopy experiments on polycrystalline Gd5Ge4 providing visual evidence of the formation of a "magnetic-glass" out of a kinetically arrested first-order antiferromagnetic-to-ferromagnetic transition. This magnetic-glass state consists of equilibrium ferromagnetic microscopic regions distributed randomly in a metastable antiferromagnetic matrix. In addition we show how the introduction of energy fluctuations in the system produces spatially dependent signs of growth of ferromagnetic phase or re-crystallization of this 'magnetic-glass'. C1 [Chattopadhyay, M. K.; Roy, S. B.] Raja Ramanna Ctr Adv Technol, Magnet & Superconducting Mat Sect, Indore 452013, India. [Morrison, K.; Moore, J. D.; Perkins, G. K.; Cohen, L. F.] Univ London Imperial Coll Sci Technol & Med, Blackett Lab, London SW7 2BZ, England. [Gschneidner, K. A., Jr.; Pecharsky, V. K.] Iowa State Univ Sci & Technol, US DOE, Ames Lab, Ames, IA 50011 USA. [Gschneidner, K. A., Jr.; Pecharsky, V. K.] Iowa State Univ Sci & Technol, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Chattopadhyay, MK (reprint author), Raja Ramanna Ctr Adv Technol, Magnet & Superconducting Mat Sect, Indore 452013, India. RI morrison, kelly/G-5249-2013 OI morrison, kelly/0000-0001-5672-3310 FU U.S. Department of Energy, Office of Basic Energy Sciences, Materials Sciences Division [DE-AC02-07CH11358]; Iowa State University of Science and Technology; EPSRC [EP/E016243]; Leverhulme Trust [F/07 058/V]; Royal Society International Joint Project [20060712100544-5391-34482] FX Work at the Ames Laboratory is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Materials Sciences Division under contract No. DE-AC02-07CH11358 with Iowa State University of Science and Technology. Work at Imperial College is support by EPSRC EP/E016243, the Leverhulme Trust F/07 058/V and the Royal Society International Joint Project Grant 20060712100544-5391-34482. NR 44 TC 4 Z9 4 U1 0 U2 4 PU EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY PI MULHOUSE PA 6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE SN 0295-5075 J9 EPL-EUROPHYS LETT JI EPL PY 2008 VL 83 IS 5 AR 57006 DI 10.1209/0295-5075/83/57006 PG 6 WC Physics, Multidisciplinary SC Physics GA 345XE UT WOS:000259030200038 ER PT J AU Colakerol, L Piper, LFJ Fedorov, A Chen, TC Moustakas, TD Smith, KE AF Colakerol, L. Piper, L. F. J. Fedorov, A. Chen, T. C. Moustakas, T. D. Smith, K. E. TI Observation of an inverted band structure near the surface of InN SO EPL LA English DT Article ID FILMS AB The dispersion of the valence band within the electron accumulation layer of n-type InN(000 (1) over bar) has been directly measured using angle-resolved photoemission spectroscopy. Intermixing between the heavy-hole and light-hole valence bands in the intrinsic quantum well potential associated with the near-surface electron accumulation layer results in an inverted band structure, with the valence band maximum lying away from the Brillouin zone center. Such an inverted band structure has not previously been observed in an intrinsic accumulation layer. Copyright (C) EPLA, 2008. C1 [Colakerol, L.; Piper, L. F. J.; Smith, K. E.] Boston Univ, Dept Phys, Boston, MA 02215 USA. [Fedorov, A.] Lawrence Berkeley Natl Lab, Berkeley, CA USA. [Chen, T. C.; Moustakas, T. D.] Boston Univ, Dept Elect & Comp Engn, Boston, MA 02215 USA. RP Colakerol, L (reprint author), Boston Univ, Dept Phys, Boston, MA 02215 USA. EM ksmith@bu.edu RI Piper, Louis/C-2960-2011; Moustakas, Theodore/D-9249-2016 OI Piper, Louis/0000-0002-3421-3210; Moustakas, Theodore/0000-0001-8556-884X FU DOE [RF-06-PRD-001, DEAC03-76SF00098]; NSF [DMR-0311792.] FX The authors would like to thank F. Bechstedt for fruitful discussions. This work was supported in part by the DOE under RF-06-PRD-001 (subcontract from University of Nevada, Las Vegas), and by the NSF under grant No. DMR-0311792. The ALS is supported by the DOE, Materials Sciences Division under contract No. DEAC03-76SF00098. NR 14 TC 6 Z9 6 U1 0 U2 9 PU EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY PI MULHOUSE PA 6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE SN 0295-5075 J9 EPL-EUROPHYS LETT JI EPL PY 2008 VL 83 IS 4 AR 47003 DI 10.1209/0295-5075/83/47003 PG 5 WC Physics, Multidisciplinary SC Physics GA 345VP UT WOS:000259025900026 ER PT J AU Harting, J Herrmann, HJ Ben-Naim, E AF Harting, J. Herrmann, H. J. Ben-Naim, E. TI Anomalous distribution functions in sheared suspensions SO EPL LA English DT Article ID DISCRETIZED BOLTZMANN-EQUATION; PARTICULATE SUSPENSIONS; NUMERICAL SIMULATIONS; SPHERES AB We investigate velocity probability distribution functions (PDF) of sheared hard-sphere suspensions. As observed in our Stokes flow simulations and explained by our single-particle theory, these PDFs can show pronounced deviations from a Maxwell-Boltzmann distribution. The PDFs are symmetric around zero velocity and show a Gaussian core and exponential tails over more than six orders of magnitude of probability. Following the excellent agreement of our theory and simulation data, we demonstrate that the distribution functions scale with the shear rate, the particle volume concentration, as well as the fluid viscosity. Copyright (C) EPLA, 2008. C1 [Harting, J.] Inst Computat Phys, D-70569 Stuttgart, Germany. [Herrmann, H. J.] ETH, IFB, CH-8093 Zurich, Switzerland. [Ben-Naim, E.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Ben-Naim, E.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. RP Harting, J (reprint author), Inst Computat Phys, Pfaffenwaldring 27, D-70569 Stuttgart, Germany. RI Ben-Naim, Eli/C-7542-2009; Harting, Jens/B-4884-2008; Sistemas Complexos, Inct/J-8597-2013 OI Ben-Naim, Eli/0000-0002-2444-7304; Harting, Jens/0000-0002-9200-6623; FU US-DOE [DE-AC52-06NA25396]; Landesstiftung Baden-Wurttemberg FX We thank A. J. C. Ladd for providing his simulation code and for fruitful discussions. This work was supported by the DFG priority program "nano- and microfluidics", US-DOE grant DE-AC52-06NA25396, and the "Landesstiftung Baden-Wurttemberg". HJH thanks the Max Planck prize. We thank P L. Krapivsky for fruitful discussions and the Institute for Pure and Applied Mathematics at University of California, Los Angeles for hospitality. The computations were performed at the Julich Supercomputing Centre. NR 19 TC 7 Z9 7 U1 0 U2 1 PU EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY PI MULHOUSE PA 6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE SN 0295-5075 J9 EPL-EUROPHYS LETT JI EPL PY 2008 VL 83 IS 3 AR 30001 DI 10.1209/0295-5075/83/30001 PG 5 WC Physics, Multidisciplinary SC Physics GA 345UM UT WOS:000259022600001 ER PT J AU Manor, R Hagberg, A Meron, E AF Manor, R. Hagberg, A. Meron, E. TI Wave-number locking in spatially forced pattern-forming systems SO EPL LA English DT Article ID BANDED VEGETATION; FREQUENCY LOCKING; EXTENDED SYSTEMS; CONVECTION; EQUILIBRIUM; DEFECTS AB We use the Swift-Hohenberg model and normal-form equations to study wave-number locking in two-dimensional systems as a result of one-dimensional spatially periodic weak forcing. The freedom of the system to respond in a direction transverse to the forcing leads to wave-number locking in a wide range of forcing wave-numbers, even for weak forcing, unlike the locking in a set of narrow Arnold tongues in one-dimensional systems. Multi-stability ranges of stripe, rectangular, and oblique patterns produce a variety of resonant patterns. The results shed new light on rehabilitation practices of banded vegetation in drylands. Copyright (c) EPLA, 2008. C1 [Manor, R.; Meron, E.] Ben Gurion Univ Negev, Dept Phys, IL-84105 Beer Sheva, Israel. [Hagberg, A.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Meron, E.] Ben Gurion Univ Negev, BIDR, Dept Solar Energy & Environm Phys, IL-84990 Sede Boqer, Israel. RP Manor, R (reprint author), Ben Gurion Univ Negev, Dept Phys, IL-84105 Beer Sheva, Israel. EM hagberg@lanl.gov RI MERON, EHUD/F-1810-2012 FU James S. McDonnell Foundation; Los Alamos National Laboratory [DE-AC52-06NA25396]; DOE Office of Science Advanced Computing Research (ASCR) FX The support of the James S. McDonnell Foundation is gratefully acknowledged. Part of this work was funded by the Department of Energy at Los Alamos National Laboratory under contract DE-AC52-06NA25396, and the DOE Office of Science Advanced Computing Research (ASCR) program in Applied Mathematical Sciences. NR 27 TC 15 Z9 15 U1 0 U2 1 PU EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY PI MULHOUSE PA 6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE SN 0295-5075 J9 EPL-EUROPHYS LETT JI EPL PY 2008 VL 83 IS 1 AR 10005 DI 10.1209/0295-5075/83/10005 PG 5 WC Physics, Multidisciplinary SC Physics GA 345TQ UT WOS:000259020300005 ER PT J AU Shivamoggi, BK AF Shivamoggi, B. K. TI Hall resistive tearing mode: A variational formulation SO EPL LA English DT Article ID COLLISIONLESS MAGNETIC RECONNECTION; PARTICLE SIMULATIONS; EARTHS MAGNETOTAIL; SHEET; INSTABILITIES; PLASMAS AB A unified linear tearing-mode formulation is given incorporating both resistivity and Hall effects. A variational method is used that appears to be best suited to deal with the difficulties peculiar to the triple-deck structure associated with the Hall resistive tearing mode but also to lead to a convenient analytical dispersion relation for the Hall resisitive tearing mode. This analytical dispersion relation: a) recovers the Furth-Killeen-Rosenbluth (Phys. Fluids, 6 (1963) 459) result for the resistive branch; b) gives a growth rate for the Hall branch which appears to be consistent with the growth rate of the electron-inertia-driven tearing mode given previously (Coppi B., Phys. Lett. A, 11 (1964) 226); c) recovers the scaling relation for the transition from the resisitive regime to the Hall regime numerically established by Fitzpatrick (Phys. Plasmas, 11 (2004) 937) in a driven Hall resistive reconnection situation. Copyright (c) EPLA, 2008. C1 [Shivamoggi, B. K.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Shivamoggi, BK (reprint author), Univ Cent Florida, Orlando, FL 32816 USA. EM bhimsens@mail.ucf.edu NR 25 TC 3 Z9 3 U1 0 U2 0 PU EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY PI MULHOUSE PA 6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE SN 0295-5075 J9 EPL-EUROPHYS LETT JI EPL PY 2008 VL 83 IS 5 AR 55002 DI 10.1209/0295-5075/83/55002 PG 4 WC Physics, Multidisciplinary SC Physics GA 345XE UT WOS:000259030200022 ER PT J AU Rullier-Albenque, F Alloul, H Balakirev, F Proust, C AF Rullier-Albenque, F. Alloul, H. Balakirev, F. Proust, C. TI Disorder, metal-insulator crossover and phase diagram in high-T(c) cuprates SO EPL LA English DT Article ID NORMAL-STATE; MAGNETIC-FIELDS; SUPERCONDUCTOR; PSEUDOGAP; LA2-XSRXCUO4; IRRADIATION; DEPRESSION; ORDER AB We have studied the influence of disorder induced by electron irradiation on the normal-state resistivities rho(T) of optimally and underdoped YBa(2)Cu(3)O(x) single crystals, using pulsed magnetic fields up to 60T to completely restore the normal state. We evidence that point defect disorder induces low-T upturns of rho(T) which saturate in some cases at low T in large applied fields as would be expected for a Kondo-like magnetic response. Moreover, the magnitude of the upturns is related to the residual resistivity, that is to the concentration of defects and/ or their nanoscale morphology. These upturns are found quantitatively identical to those reported in lower-Tc cuprates, which establishes the importance of disorder in these supposedly pure compounds. We therefore propose a realistic phase diagram of the cuprates, including disorder, in which the superconducting state might reach the antiferromagnetic phase in the clean limit. Copyright (C) EPLA, 2008 C1 [Rullier-Albenque, F.] CEA Saclay, CNRS, URA 2464, Serv Phys Etat Condense, F-91191 Gif Sur Yvette, France. [Alloul, H.] Univ Paris 11, CNRS, UMR 8502, Phys Solides Lab, F-91405 Orsay, France. [Balakirev, F.] Los Alamos Natl Lab, Natl High Magnet Field Lab, Los Alamos, NM 87545 USA. [Proust, C.] CNRS, UMR 5147, UPS, INSA,Lab Natl Champs Magnet Pulses, Toulouse, France. RP Rullier-Albenque, F (reprint author), CEA Saclay, CNRS, URA 2464, Serv Phys Etat Condense, F-91191 Gif Sur Yvette, France. EM florence.albenque-rullier@cea.fr NR 35 TC 36 Z9 36 U1 0 U2 11 PU EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY PI MULHOUSE PA 6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE SN 0295-5075 J9 EPL-EUROPHYS LETT JI EPL PY 2008 VL 81 IS 3 AR 37008 DI 10.1209/0295-5075/81/37008 PG 6 WC Physics, Multidisciplinary SC Physics GA 258QY UT WOS:000252884300028 ER PT J AU Rybin, AV Vadeiko, IP Bishop, AR AF Rybin, A. V. Vadeiko, I. P. Bishop, A. R. TI Slow-light solitons: Influence of relaxation SO EPL LA English DT Article ID ELECTROMAGNETICALLY INDUCED TRANSPARENCY; ATOMIC MEDIUM; PULSES; MANIPULATION; STORAGE AB We have applied the transformation of the slow-light equations to the Liouville theory that we developed in our previous work, to study the influence of relaxation on the soliton dynamics. We solved the problem of the soliton dynamics in the presence of relaxation and found that the spontaneous emission from the upper atomic level is strongly suppressed. Our solution proves that the spatial shape of the soliton is well preserved even if the relaxation time is much shorter than the soliton time length. This fact is of great importance for applications of the slow-light soliton concept in optical information processing. We also demonstrate that relaxation plays a role of resistance to the soliton motion and slows the soliton down even if the controlling field is constant. Copyright (C) EPLA, 2008. C1 [Rybin, A. V.] Univ Jyvaskyla, Dept Phys, FIN-40351 Jyvaskyla, Finland. [Rybin, A. V.] St Petersburg Univ Informat Technol Mech & Opt, St Petersburg 197101, Russia. [Vadeiko, I. P.] McGill Univ, Dept Phys, Montreal, PQ H3A 2T8, Canada. [Bishop, A. R.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Bishop, A. R.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. RP Rybin, AV (reprint author), Univ Jyvaskyla, Dept Phys, POB 35, FIN-40351 Jyvaskyla, Finland. EM andrei.rybin@phys.jyu.fi; vadeiko@physics.mcgill.ca; arb@lanl.gov NR 15 TC 0 Z9 0 U1 0 U2 1 PU EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY PI MULHOUSE PA 6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE SN 0295-5075 J9 EPL-EUROPHYS LETT JI EPL PY 2008 VL 81 IS 4 AR 40009 DI 10.1209/0295-5075/81/40009 PG 4 WC Physics, Multidisciplinary SC Physics GA 258RA UT WOS:000252884600009 ER PT J AU Corbett, CL Beyah, RA Copeland, JA AF Corbett, Cherita L. Beyah, Raheem A. Copeland, John A. TI Passive classification of wireless NICs during rate switching SO EURASIP JOURNAL ON WIRELESS COMMUNICATIONS AND NETWORKING LA English DT Article AB Computer networks have become increasingly ubiquitous. However, with the increase in networked applications, there has also been an increase in difficulty to manage and secure these networks. The proliferation of 802.11 wireless networks has heightened this problem by extending networks beyond physical boundaries. We propose the use of spectral analysis to identify the type of wireless network interface card (NIC). This mechanism can be applied to support the detection of unauthorized systems that use NICs which are different from that of a legitimate system. We focus on rate switching, a vaguely specified mechanism required by the 802.11 standard that is implemented in the hardware and software of the wireless NIC. We show that the implementation of this function influences the transmission patterns of a wireless stream, which are observable through traffic analysis. Our mechanism for NIC identification uses signal processing to analyze the periodicity embedded in the wireless traffic caused by rate switching. A stable spectral profile is created from the periodic components of the traffic and used for the identity of the wireless NIC. We show that we can distinguish between NICs manufactured by different vendors and NICs manufactured by the same vendor using their spectral profiles. Copyright (C) 2008. C1 [Beyah, Raheem A.] Georgia State Univ, Dept Comp Sci, Commun Assurance & Performance Grp, Atlanta, GA 30303 USA. [Corbett, Cherita L.] Sandia Natl Labs, Comp & Network Secur Grp, Livermore, CA 94550 USA. [Copeland, John A.] Georgia Inst Technol, Sch Elect & Comp Engn, Commun Syst Ctr, Atlanta, GA 30308 USA. RP Beyah, RA (reprint author), Georgia State Univ, Dept Comp Sci, Commun Assurance & Performance Grp, 34 Peachtree St,Suite 1451, Atlanta, GA 30303 USA. EM rbeyah@cs.gsu.edu NR 19 TC 2 Z9 2 U1 0 U2 1 PU HINDAWI PUBLISHING CORPORATION PI NEW YORK PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA SN 1687-1499 J9 EURASIP J WIREL COMM JI EURASIP J. Wirel. Commun. Netw. PY 2008 AR 495070 DI 10.1155/2008/495070 PG 12 WC Engineering, Electrical & Electronic; Telecommunications SC Engineering; Telecommunications GA 279FI UT WOS:000254340100001 ER PT J AU Deaton, JD AF Deaton, Juan D. TI High Altitude Platforms for Disaster Recovery: Capabilities, Strategies, and Techniques for Emergency Telecommunications SO EURASIP JOURNAL ON WIRELESS COMMUNICATIONS AND NETWORKING LA English DT Article AB Natural disasters and terrorist acts have significant potential to disrupt emergency communication systems. These emergency communication networks include first-responder, cellular, landline, and emergency answering services such as 911, 112, or 999. Without these essential emergency communications capabilities, search, rescue, and recovery operations during a catastrophic event will be severely debilitated. High altitude platforms could be fitted with telecommunications equipment and used to support these critical communications missions once the catastrophic event occurs. With the ability to be continuously on station, HAPs provide excellent options for providing emergency coverage over high-risk areas before catastrophic incidents occur. HAPs could also provide enhanced 911 capabilities using either GPS or reference stations. This paper proposes potential emergency communications architecture and presents a method for estimating emergency communications systems traffic patterns for a catastrophic event. Copyright (C) 2008 Juan D. Deaton. C1 Idaho Natl Lab, Homeland Secur Directorate, Idaho Falls, ID 83415 USA. RP Deaton, JD (reprint author), Idaho Natl Lab, Homeland Secur Directorate, Idaho Falls, ID 83415 USA. EM juan.deaton@inl.gov NR 19 TC 6 Z9 6 U1 0 U2 1 PU HINDAWI PUBLISHING CORPORATION PI NEW YORK PA 410 PARK AVENUE, 15TH FLOOR, #287 PMB, NEW YORK, NY 10022 USA SN 1687-1499 J9 EURASIP J WIREL COMM JI EURASIP J. Wirel. Commun. Netw. PY 2008 AR 153469 DI 10.1155/2008/153469 PG 8 WC Engineering, Electrical & Electronic; Telecommunications SC Engineering; Telecommunications GA 367UE UT WOS:000260577300001 ER PT S AU Bhatia, N Vetter, JS AF Bhatia, Nikhil Vetter, Jeffrey S. BE Bouge, L Forsell, M Traff, JL Streit, A Ziegler, W Alexander, M Childs, S TI Virtual cluster management with Xen SO EURO-PAR 2007 WORKSHOPS: PARALLEL PROCESSING SE LECTURE NOTES IN COMPUTER SCIENCE LA English DT Proceedings Paper CT 13th International Euro-Par Conference on Parallel Processing CY AUG 28-31, 2007 CL Rennes, FRANCE SP Int Federat Informat Proc, ACM AB Recently, virtualization of hardware resources to run multiple instances of independent virtual machines over physical hosts has gained popularity due to an industry-wide focus on the need to reduce the cost of operation of an enterprise computing infrastructure. Xen is an open source hypervisor that provides a virtual machine abstraction layer which is very similar to the underlying physical machine. Using multiple physical hosts, each hosting multiple virtual machines over a VMM like Xen, system administrators can setup a high-availability virtual cluster to meet the ever-increasing demands of their data centers. In such an environment, the Xen hypervisor enables live migration of individual virtual machine instances from one physical node to another without significantly affecting the performance of the applications running on a target virtual machine. This paper describes a scalable Virtual Cluster Manager that provides such application agnostic cluster management capabilities to the system administrators maintaining virtual clusters over Xen powered virtual nodes. C1 [Bhatia, Nikhil; Vetter, Jeffrey S.] Oak Ridge Natl Lab, Div Math & Comp Sci, Future Technol Grp, Oak Ridge, TN 37831 USA. RP Bhatia, N (reprint author), Oak Ridge Natl Lab, Div Math & Comp Sci, Future Technol Grp, Oak Ridge, TN 37831 USA. NR 6 TC 3 Z9 3 U1 0 U2 2 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-540-78472-2 J9 LECT NOTES COMPUT SC PY 2008 VL 4854 BP 185 EP 194 PG 10 WC Computer Science, Theory & Methods SC Computer Science GA BHL07 UT WOS:000253962000023 ER PT S AU Yu, WK Oral, HS Canon, RS Vetter, JS Sankaran, R AF Yu, Weikuan Oral, H. Sarp Canon, R. Shane Vetter, Jeffrey S. Sankaran, Ramanan BE Luque, E Margalef, T Benitez, D TI Empirical analysis of a large-scale hierarchical storage system SO EURO-PAR 2008 PARALLEL PROCESSING, PROCEEDINGS SE LECTURE NOTES IN COMPUTER SCIENCE LA English DT Proceedings Paper CT 14th International Euro-Par Conference CY AUG 26-29, 2008 CL Las Palmas de Gran Canaria, SPAIN AB To prepare for future peta- or exa-scale computing, it is important to gain a good understanding on what impacts a hierarchical storage system would have on the performance of data-intensive applications, and accordingly, how to leverage its strengths and mitigate possible risks. To this aim, this paper adopts a user-level perspective to empirically reveal the implications of storage organization to parallel programs running on Jaguar at the Oak Ridge National Laboratory. We first describe the hierarchical configuration of Jaguar's storage system. Then we evaluate the performance of individual storage components. In addition, we examine the scalability of metadata- and data-intensive benchmarks over Jaguar. We have discovered that the file distribution pattern can impact the aggregated I/O bandwidth. Based on our analysis, we have demonstrated that it is possible to improve (he scalability of a representative application S3D by as Much as 15%. C1 [Yu, Weikuan; Oral, H. Sarp; Canon, R. Shane; Vetter, Jeffrey S.; Sankaran, Ramanan] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Yu, WK (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RI Sankaran, Ramanan/D-9254-2015 OI Sankaran, Ramanan/0000-0002-5352-9915 NR 14 TC 3 Z9 4 U1 0 U2 2 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-540-85450-0 J9 LECT NOTES COMPUT SC PY 2008 VL 5168 BP 130 EP 140 PG 11 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods SC Computer Science GA BIF29 UT WOS:000259084900012 ER PT S AU Piernas, J Nieplocha, J AF Piernas, Juan Nieplocha, Jarek BE Luque, E Margalef, T Benitez, D TI Efficient management of complex striped files in active storage SO EURO-PAR 2008 PARALLEL PROCESSING, PROCEEDINGS SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 14th International Euro-Par Conference on Parallel Computing CY AUG 26-29, 2008 CL Las Palmas de Gran Canaria, SPAIN AB Active Storage provides an opportunity for reducing the bandwidth requirements between the storage and compute elements of current; supercomputing systems, and leveraging the processing power of the storage nodes used by some modern file systems. To achieve both objectives, Active Storage allows certain processing tasks to be performed directly oil the storage nodes, near the data they manage. However, Active Storage must also support key requirements of scientific applications. In particular, Active Storage must be able to support striped files and files with complex formats (e.g., netCDF). In this paper, we describe how these important requirements can be addressed. The experimental results oil a Lustre file system riot only show that our proposal call reduce the network traffic to near zero and scale the performance with the number of storage nodes, but also that it provides ail efficient treatment, of striped files and call manage files with complex data structures. C1 [Piernas, Juan; Nieplocha, Jarek] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Piernas, J (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM piernas@ditec.um.es; jarek.nieplocha@pnl.gov NR 16 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 978-3-540-85450-0 J9 LECT NOTES COMPUT SC PY 2008 VL 5168 BP 676 EP 685 PG 10 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods SC Computer Science GA BIF29 UT WOS:000259084900063 ER PT S AU Sancho, JC Kerbyson, DJ AF Sancho, Jose Carlos Kerbyson, Darren J. BE Luque, E Margalef, T Benitez, D TI Improving the performance of multiple conjugate gradient solvers by exploiting overlap SO EURO-PAR 2008 PARALLEL PROCESSING, PROCEEDINGS SE LECTURE NOTES IN COMPUTER SCIENCE LA English DT Proceedings Paper CT 14th International Euro-Par Conference CY AUG 26-29, 2008 CL Las Palmas de Gran Canaria, SPAIN AB Conjugate gradient solvers are often being the most, time-consuming part of many scientific applications. These solvers exhibit communications operations that, call prevent, high performance from being achieved at large scale systems. In this paper we present a novel technique to boost the performance of these solvers. In this technique multiple independent solvers that occur in some applications are combined allowing for the overlapping many communications with other communication and computation resulting with increased performance. This work is the first time that combination of CC solvers is exploited and offers performance improvements which may be particularly important in very large-scale systems. Results are presented for the MIMD Lattice (MILC) application and show that, the cost of collective communications can be reduced by a factor of 2.5x. Moreover the performance of MILC is significantly improved, by over 10% for typical lattice sizes on a 1,024-processor system. C1 [Sancho, Jose Carlos; Kerbyson, Darren J.] Los Alamos Natl Lab, PAL, Los Alamos, NM 87545 USA. RP Sancho, JC (reprint author), Los Alamos Natl Lab, PAL, Los Alamos, NM 87545 USA. RI Sancho, Jose Carlos/B-3125-2016 OI Sancho, Jose Carlos/0000-0002-6917-9155 NR 11 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 978-3-540-85450-0 J9 LECT NOTES COMPUT SC PY 2008 VL 5168 BP 688 EP 697 PG 10 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods SC Computer Science GA BIF29 UT WOS:000259084900064 ER PT J AU Novak, P Kruppa, GH AF Novak, Petr Kruppa, Gary H. TI Intra-molecular cross-linking of acidic residues for protein structure studies SO EUROPEAN JOURNAL OF MASS SPECTROMETRY LA English DT Article DE top-down; FT-MS; solvent accessibility; proteins; chemical cross-linking ID TRANSFORM MASS-SPECTROMETRY; TOP-DOWN APPROACH; REAGENTS AB Intra-molecular cross-Linking has been suggested as a method of obtaining distance constraints that would help to develop structural models of proteins. Recent work published on intra-molecular cross-Linking for protein structural studies has employed commercially available primary amine (lysine, the amino terminus) selective reagents. Previous work using these cross-linkers has shown that for several proteins of known structure, the number of cross-links that can be obtained experimentally may be small compared to what would be expected from the known structure, due to the relative reactivity, distribution and solvent accessibility of the lysines in the protein sequence. To overcome these limitations, we have investigated the use of cross-linking reagents that can react with other reactive side chains in proteins. We used 1-ethyl-3-(3-dimethylaminopropyl) carbodiimide hydrochloride (EDC) to activate the carboxylic acid containing residues, aspartic acid (D), glutamic acid (E) and the carboxy terminus (0), for cross-linking reactions. Once activated, the DEO side chains can react to form "zero-length" cross-links with nearby primary amine containing residues, lysines (K) and the amino terminus [XI, via the formation of a new amide bond. We also show that the EDC-activated DEO side chains can be cross-linked to each other using dihydrazides, two hydrazide moieties connected by an alkyl cross-linker arm of variable length. Using these reagents, we have found three new "zero-length" cross-links in ubiquitin consistent with its known structure (M1-E16, M1-E18 and K63-E64). Using the dihydrazide cross-tinkers, we have identified two new cross-links (D21-D32 and E24-D32) unambiguously. Using a Library of dihydrazide cross-linkers with varying arm length, we have shown that there is a minimum arm Length required for the DEO-DEO cross-Links of 5.8 angstrom. These results show that additional structural information can be obtained by exploiting new cross-tinker chemistry, increasing the probability that the protein target will yield sufficient distance constraints to develop a structural model. C1 [Novak, Petr] Acad Sci Czech Republic, Inst Microbiol, CZ-14220 Prague 4, Czech Republic. [Novak, Petr; Kruppa, Gary H.] Sandia Natl Labs, Livermore, CA 94551 USA. [Kruppa, Gary H.] Bruker Daltonics Inc, Billerica, MA 01821 USA. RP Novak, P (reprint author), Acad Sci Czech Republic, Inst Microbiol, CZ-14220 Prague 4, Czech Republic. EM pnovak@biomed.cas.cz RI Novak, Petr/F-9655-2014 OI Novak, Petr/0000-0001-8688-529X FU Laboratory Directed Research and Development program at Sandia National Laboratories; Sandia Corporation; Lockheed Martin Company for the United States Department of Energy [DE-AC04-94AL85000]; IMIC institutional research concept [AVOZ50200510]; Ministry of Education, Youth and Sports of the Czech Republic [LC 545] FX This work was supported by the Laboratory Directed Research and Development program at Sandia National Laboratories, which is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company for the United States Department of Energy under contract DE-AC04-94AL85000. IMIC institutional research concept [AVOZ50200510] and the Ministry of Education, Youth and Sports of the Czech Republic [LC 545) are gratefully acknowledged for support as well. NR 16 TC 21 Z9 21 U1 0 U2 18 PU IM PUBLICATIONS PI W SUSSEX PA 6 CHARLTON MILL, CHARLTON, CHICHESTER,, W SUSSEX PO18 0HY, ENGLAND SN 1469-0667 J9 EUR J MASS SPECTROM JI Eur. J. Mass Spectrom. PY 2008 VL 14 IS 6 BP 355 EP 365 DI 10.1255/ejms.963 PG 11 WC Physics, Atomic, Molecular & Chemical; Spectroscopy SC Physics; Spectroscopy GA 399PZ UT WOS:000262813100004 PM 19136724 ER PT J AU Kolesov, BA Lager, GA Schultz, AJ AF Kolesov, Boris A. Lager, George A. Schultz, Arthur J. TI Behaviour of H2O and OH in lawsonite: a single-crystal neutron diffraction and Raman spectroscopic investigation SO EUROPEAN JOURNAL OF MINERALOGY LA English DT Article; Proceedings Paper CT 6th European Conference on Mineralogy and Spectroscopy CY SEP, 2007 CL Stockholm, SWEDEN DE lawsonite; high-pressure silicates; H2O molecule; hydroxyl groups; hydrogen bonding; Raman spectroscopy; neutron diffraction ID TEMPERATURE PHASE-TRANSITIONS; MINERALS AB Neutron diffraction and polarized single-crystal Raman spectroscopic measurements were made on the high-pressure silicate lawsonite, CaAl2(Si2O7)(OH)(2)center dot H2O, from Tiburon Peninsula, California. For the diffraction measurements, intensity reflection data were collected at temperatures of 295, 110 and 20 K using time-of-flight neutron diffraction methods to further examine two reversible, order-disorder type phase transitions occurring at 273 and 155 K [Cmcm (> 273 K) -> Pmcn (< 273 K) -> P2(1) cn (< 155 K)]. These data are also used to model the H atom displacements in lawsonite as a function of temperature and to provide better insight into the nature of H bonding. The Raman spectroscopic measurements (2500 to 4000 cm(-1) at 4 <= T <= 300 K) were carried out on the same crystal used for the neutron diffraction study. Four OH-related bands are observed between 2700 and 3600 cm(-1). The OH groups and H2O molecules, which are linked by hydrogen bonding, build quasi one-dimensional chains in lawsonite, that run parallel to [001] and thus a model consisting of isolated oscillators cannot be used to interpret the spectra at ambient temperature. A notable feature of spectral behaviour at 240-260 K in the vicinity of the Cincin double left right arrow Pmcn phase transition is the change-over of strong hydrogen bonding from the OH group to the H2O molecule. The lowest-wavenumber OH(H2O) band at 2780 cm(-1) at 4 K is broad and asymmetric, which is related to strong hydrogen bonding, and is characterized by strong anharmonicity. This band was deconvoluted into a number of combination modes consisting of an internal-H2O and various external-H2O vibrations. C1 Russian Acad Sci, Inst Inorgan Chem, Novosibirsk 630090, Russia. Univ Louisville, Dept Geog & Geosci, Louisville, KY 40292 USA. Argonne Natl Lab, Intense Pulsed Neutron Source, Argonne, IL 60439 USA. RP Kolesov, BA (reprint author), Russian Acad Sci, Inst Inorgan Chem, Lavrentiev prosp 3, Novosibirsk 630090, Russia. EM kolesov@che.nsk.su NR 15 TC 7 Z9 7 U1 2 U2 15 PU E SCHWEIZERBARTSCHE VERLAGS PI STUTTGART PA NAEGELE U OBERMILLER, SCIENCE PUBLISHERS, JOHANNESSTRASSE 3A, D 70176 STUTTGART, GERMANY SN 0935-1221 J9 EUR J MINERAL JI Eur. J. Mineral. PD JAN-FEB PY 2008 VL 20 IS 1 BP 63 EP 72 DI 10.1127/0935-1221/2008/0020-1781 PG 10 WC Mineralogy SC Mineralogy GA 277YG UT WOS:000254250000004 ER PT J AU Abdullin, S Abramov, V Acharya, B Adams, M Akchurin, N Akgun, U Anderson, EW Antchev, G Arcidy, M Ayan, S Aydin, S Baarmand, M Babich, K Baden, D Bakirci, MN Banerjee, S Banerjee, S Bard, R Barnes, V Bawa, H Baiatian, G Bencze, G Beri, S Bhatnagar, V Bodek, A Budd, H Burchesky, K Camporesi, T Cankocak, K Carrell, K Cerci, S Chendvankar, S Chung, Y Cremaldi, L Cushman, P Damgov, J de Barbaro, P Deliomeroglu, M Demianov, A de Visser, T Dimitrov, L Dindar, K Dugad, S Dumanoglu, I Duru, F Elias, J Elvira, D Emeliantchik, I Eno, S Eskut, E Fenyvesi, A Fisher, W Freeman, J Gamsizkan, H Gavrilov, V Genchev, V Gershtein, Y Golutvin, I Goncharov, P Grassi, T Green, D Gribushin, A Grinev, B Gulmez, E Gumus, K Haelen, T Hagopian, S Hagopian, V Hashemi, M Hauptman, J Hazen, E Heering, A Ilyina, N Isiksal, E Jarvis, C Johnson, K Kaftanov, V Kalagin, V Kalinin, A Karmgard, D Kalmani, S Katta, S Kaur, M Kaya, M Kayis-Topaksu, A Kellogg, R Khmelnikov, A Kim, H Kisselevich, I Kodolova, O Kohli, J Kolossov, V Korablev, A Korneev, Y Kosarev, I Koylu, S Kramer, L Krinitsyn, A Krokhotin, A Kryshkin, V Kuleshov, S Kumar, A Kunori, S Kurt, P Kuzucu-Polatoz, A Laasanen, A Ladygin, V Laszlo, A Lawlor, C Lazic, D Levchuk, L Linn, S Litvintsev, D Litov, L Los, S Lubinsky, V Lukanin, V Ma, Y Machado, E Mans, J Markowitz, P Massolov, V Martinez, G Mazumdar, K Merlo, JP Mermerkaya, H Mescheryakov, G Mestvirishvili, A Miller, M Mohammadi-Najafabadi, M Moissenz, P Mondal, N Nagaraj, P Norbeck, E Olson, J Onel, Y Onengut, G Ozdes-Koca, N Ozkan, C Ozkurt, H Ozkorucuklu, S Paktinat, S Pal, A Patil, M Penzo, A Petrushanko, S Petrosyan, A Pikalov, V Piperov, S Podrasky, V Pompos, A Posch, C Qiang, W Reddy, L Reidy, J Ruchti, R Rogalev, E Rohlf, J Ronzhin, A Ryazanov, A Safronov, G Sanders, DA Sanzeni, C Sarycheva, L Satyanarayana, B Schmidt, I Sekmen, S Semenov, S Senchishin, V Sergeyev, S Serin-Zeyrek, M Sever, R Singh, J Sirunyan, A Skuja, A Sharma, S Sherwood, B Shumeiko, N Smirnov, V Sogut, K Sorokin, P Spezziga, M Stefanovich, R Stolin, V Sulak, L Suzuki, I Talov, V Teplov, K Thomas, R Topakli, H Tully, C Turchanovich, L Ulyanov, A Vankov, I Vardanyan, I Varela, F Vergili, M Verma, P Vesztergombi, G Vidal, R Vishnevskiy, A Vlassov, E Vodopiyanov, I Volkov, A Volodko, A Wang, L Wetstein, M Winn, D Wigmans, R Whitmore, J Wu, SX Yazgan, E Yershov, A Yetkin, T Zalan, P Zarubin, A Zeyrek, M AF Abdullin, S. Abramov, V. Acharya, B. Adams, M. Akchurin, N. Akgun, U. Anderson, E. W. Antchev, G. Arcidy, M. Ayan, S. Aydin, S. Baarmand, M. Babich, K. Baden, D. Bakirci, M. N. Banerjee, Sud. Banerjee, Sun. Bard, R. Barnes, V. Bawa, H. Baiatian, G. Bencze, G. Beri, S. Bhatnagar, V. Bodek, A. Budd, H. Burchesky, K. Camporesi, T. Cankocak, K. Carrell, K. Cerci, S. Chendvankar, S. Chung, Y. Cremaldi, L. Cushman, P. Damgov, J. de Barbaro, P. Deliomeroglu, M. Demianov, A. de Visser, T. Dimitrov, L. Dindar, K. Dugad, S. Dumanoglu, I. Duru, F. Elias, J. Elvira, D. Emeliantchik, I. Eno, S. Eskut, E. Fenyvesi, A. Fisher, W. Freeman, J. Gamsizkan, H. Gavrilov, V. Genchev, V. Gershtein, Y. Golutvin, I. Goncharov, P. Grassi, T. Green, D. Gribushin, A. Grinev, B. Guelmez, E. Guemues, K. Haelen, T. Hagopian, S. Hagopian, V. Hashemi, M. Hauptman, J. Hazen, E. Heering, A. Ilyina, N. Isiksal, E. Jarvis, C. Johnson, K. Kaftanov, V. Kalagin, V. Kalinin, A. Karmgard, D. Kalmani, S. Katta, S. Kaur, M. Kaya, M. Kayis-Topaksu, A. Kellogg, R. Khmelnikov, A. Kim, H. Kisselevich, I. Kodolova, O. Kohli, J. Kolossov, V. Korablev, A. Korneev, Y. Kosarev, I. Koylu, S. Kramer, L. Krinitsyn, A. Krokhotin, A. Kryshkin, V. Kuleshov, S. Kumar, A. Kunori, S. Kurt, P. Kuzucu-Polatoz, A. Laasanen, A. Ladygin, V. Laszlo, A. Lawlor, C. Lazic, D. Levchuk, L. Linn, S. Litvintsev, D. Litov, L. Los, S. Lubinsky, V. Lukanin, V. Ma, Y. Machado, E. Mans, J. Markowitz, P. Massolov, V. Martinez, G. Mazumdar, K. Merlo, J. P. Mermerkaya, H. Mescheryakov, G. Mestvirishvili, A. Miller, M. Mohammadi-Najafabadi, M. Moissenz, P. Mondal, N. Nagaraj, P. Norbeck, E. Olson, J. Onel, Y. Onengut, G. Ozdes-Koca, N. Ozkan, C. Ozkurt, H. Ozkorucuklu, S. Paktinat, S. Pal, A. Patil, M. Penzo, A. Petrushanko, S. Petrosyan, A. Pikalov, V. Piperov, S. Podrasky, V. Pompos, A. Posch, C. Qiang, W. Reddy, L. Reidy, J. Ruchti, R. Rogalev, E. Rohlf, J. Ronzhin, A. Ryazanov, A. Safronov, G. Sanders, D. A. Sanzeni, C. Sarycheva, L. Satyanarayana, B. Schmidt, I. Sekmen, S. Semenov, S. Senchishin, V. Sergeyev, S. Serin-Zeyrek, M. Sever, R. Singh, J. Sirunyan, A. Skuja, A. Sharma, S. Sherwood, B. Shumeiko, N. Smirnov, V. Sogut, K. Sorokin, P. Spezziga, M. Stefanovich, R. Stolin, V. Sulak, L. Suzuki, I. Talov, V. Teplov, K. Thomas, R. Topakli, H. Tully, C. Turchanovich, L. Ulyanov, A. Vankov, I. Vardanyan, I. Varela, F. Vergili, M. Verma, P. Vesztergombi, G. Vidal, R. Vishnevskiy, A. Vlassov, E. Vodopiyanov, I. Volkov, A. Volodko, A. Wang, L. Wetstein, M. Winn, D. Wigmans, R. Whitmore, J. Wu, S. X. Yazgan, E. Yershov, A. Yetkin, T. Zalan, P. Zarubin, A. Zeyrek, M. CA Collaboration, CH TI Design, performance, and calibration of CMS forward calorimeter wedges SO EUROPEAN PHYSICAL JOURNAL C LA English DT Article ID QUARTZ-FIBER CALORIMETER; TEST BEAM; PROTOTYPE; SIMULATION; RADIATION AB We report on the test beam results and calibration methods using high energy electrons, pions and muons with the CMS forward calorimeter (HF). The HF calorimeter covers a large pseudorapidity region (3 <= vertical bar eta vertical bar <= 5), and is essential for a large number of physics channels with missing transverse energy. It is also expected to play a prominent role in the measurement of forward tagging jets in weak boson fusion channels in Higgs production. The HF calorimeter is based on steel absorber with embedded fused-silica-core optical fibers where Cherenkov radiation forms the basis of signal generation. Thus, the detector is essentially sensitive only to the electromagnetic shower core and is highly non-compensating (e/h approximate to 5). This feature is also manifest in narrow and relatively short showers compared to similar calorimeters based on ionization. The choice of fused-silica optical fibers as active material is dictated by its exceptional radiation hardness. The electromagnetic energy resolution is dominated by photoelectron statistics and can be expressed in the customary form as a/root E circle plus b. The stochastic term a is 198% and the constant term b is 9%. The hadronic energy resolution is largely determined by the fluctuations in the neutral pion production in showers, and when it is expressed as in the electromagnetic case, a = 280% and b = 11%. C1 Univ Maryland, College Pk, MD 20742 USA. Yerevan Phys Inst, Yerevan 375036, Armenia. NCPHEP, Minsk, Byelarus. Bulgarian Acad Sci, Inst Nucl Res & Nucl Energy, Sofia, Bulgaria. Univ Sofia, BU-1126 Sofia, Bulgaria. Res Inst Particle & Nucl Phys, KFKI RMKI, Budapest, Hungary. ATOMKI, Debrecen, Hungary. Panjab Univ, Chandigarh 160014, India. Tata Inst Fundamental Res, Bombay 400005, Maharashtra, India. Inst Studies Theoret Phys & Math, Tehran, Iran. Sharif Univ Technol, Tehran, Iran. INFM, Trieste, Italy. Joint Inst Nucl Res Dubna, Dubna, Russia. ITEP, Moscow, Russia. Moscow MV Lomonosov State Univ, Moscow, Russia. IHEP, Protvino, Russia. CERN, Geneva, Switzerland. Cukurova Univ, Adana, Turkey. Middle E Tech Univ, TR-06531 Ankara, Turkey. Bogazici Univ, Istanbul, Turkey. KIPT, Kharkov, Ukraine. Kharkov Single Crystals Inst, UA-310141 Kharkov, Ukraine. Iowa State Univ, Ames, IA USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Boston Univ, Boston, MA 02215 USA. Univ Illinois, Chicago, IL USA. Fairfield Univ, Fairfield, CT 06430 USA. Univ Iowa, Iowa City, IA USA. Texas Tech Univ, Dept Phys, Lubbock, TX 79409 USA. Florida Inst Technol, Melbourne, FL 32901 USA. Florida Int Univ, Miami, FL 33199 USA. Univ Minnesota, Minneapolis, MN USA. Univ Mississippi, Oxford, MS USA. Univ Notre Dame, Notre Dame, IN 46556 USA. Princeton Univ, Princeton, NJ 08544 USA. Univ Rochester, Rochester, NY USA. Florida State Univ, Tallahassee, FL 32306 USA. Purdue Univ, W Lafayette, IN 47907 USA. Mugla Univ, Mugla, Turkey. Marmara Univ, Istanbul, Turkey. Kafkas Univ, Kars, Turkey. Suleyman Demirel Univ, Isparta, Turkey. RP Abdullin, S (reprint author), Univ Maryland, College Pk, MD 20742 USA. EM Nural.Akchurin@ttu.edu RI Kodolova, Olga/D-7158-2012; Fisher, Wade/N-4491-2013; Gribushin, Andrei/J-4225-2012; Gulmez, Erhan/P-9518-2015; Yazgan, Efe/C-4521-2014; Demianov, Andrei/E-4565-2012; Petrushanko, Sergey/D-6880-2012; Vardanyan, Irina/K-7981-2012; Bheesette, Satyanarayana/A-1360-2013; Kuleshov, Sergey/D-9940-2013; Gumus, Kazim/G-2498-2013; OI Gulmez, Erhan/0000-0002-6353-518X; Yazgan, Efe/0000-0001-5732-7950; Baarmand, Marc/0000-0002-9792-8619; Kuleshov, Sergey/0000-0002-3065-326X; Gumus, Kazim/0000-0002-1450-6868; Uliyanov, Alexey/0000-0001-6935-8949; Sogut, Kenan/0000-0002-9682-2855 NR 17 TC 28 Z9 28 U1 2 U2 18 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 1434-6044 J9 EUR PHYS J C JI Eur. Phys. J. C PD JAN PY 2008 VL 53 IS 1 BP 139 EP 166 DI 10.1140/epjc/s10052-007-0459-4 PG 28 WC Physics, Particles & Fields SC Physics GA 237NW UT WOS:000251382800015 ER PT J AU Catanesi, MG Radicioni, E Edgecock, R Ellis, M Robbins, S Soler, FJP Goessling, C Bunyatov, S Krasnoperov, A Popov, B Serdiouk, V Tereschenko, V Di Capua, E Vidal-Sitjes, G Arce, P Artamonov, A Giani, S Gilardoni, S Gorbunov, P Grant, A Grossheim, A Gruber, P Ivanchenko, V Kayis-Topaksu, A Panman, J Papadopoulos, I Pasternak, J Tcherniaev, E Tsukerman, I Veenhof, R Wiebusch, C Zucchelli, P Blondel, A Borghi, S Campanelli, M Morone, MC Prior, G Schroeter, R Engel, R Meurer, C Kato, I Gastaldi, U Mills, GB Graulich, JS Gregoire, G Kirsanov, M Bonesini, M Ferri, F Paganoni, M Paleari, F Bagulya, A Grichine, V Polukhina, N Palladino, V Coney, L Schmitz, D Barr, G De Santo, A Pattison, C Zuber, K Bobisut, F Gibin, D Guglielmi, A Mezzetto, M Dumarchez, J Vannucci, F Dore, U Orestano, D Pastore, F Tonazzo, A Tortora, L Booth, C Buttar, C Hodgson, P Howlett, L Bogomilov, M Chizhov, M Kolev, D Tsenov, R Piperov, S Temnikov, P Apollonio, M Chimenti, P Giannini, G Santin, G Burguet-Castell, J Cervera-Villanueva, A Gomez-Cadenas, JJ Martin-Albo, J Novella, P Sorel, M Tornero, A AF Catanesi, M. G. Radicioni, E. Edgecock, R. Ellis, M. Robbins, S. Soler, F. J. P. Goessling, C. Bunyatov, S. Krasnoperov, A. Popov, B. Serdiouk, V. Tereschenko, V. Di Capua, E. Vidal-Sitjes, G. Arce, P. Artamonov, A. Giani, S. Gilardoni, S. Gorbunov, P. Grant, A. Grossheim, A. Gruber, P. Ivanchenko, V. Kayis-Topaksu, A. Panman, J. Papadopoulos, I. Pasternak, J. Tcherniaev, E. Tsukerman, I. Veenhof, R. Wiebusch, C. Zucchelli, P. Blondel, A. Borghi, S. Campanelli, M. Morone, M. C. Prior, G. Schroeter, R. Engel, R. Meurer, C. Kato, I. Gastaldi, U. Mills, G. B. Graulich, J. S. Gregoire, G. Kirsanov, M. Bonesini, M. Ferri, F. Paganoni, M. Paleari, F. Bagulya, A. Grichine, V. Polukhina, N. Palladino, V. Coney, L. Schmitz, D. Barr, G. De Santo, A. Pattison, C. Zuber, K. Bobisut, F. Gibin, D. Guglielmi, A. Mezzetto, M. Dumarchez, J. Vannucci, F. Dore, U. Orestano, D. Pastore, F. Tonazzo, A. Tortora, L. Booth, C. Buttar, C. Hodgson, P. Howlett, L. Bogomilov, M. Chizhov, M. Kolev, D. Tsenov, R. Piperov, S. Temnikov, P. Apollonio, M. Chimenti, P. Giannini, G. Santin, G. Burguet-Castell, J. Cervera-Villanueva, A. Gomez-Cadenas, J. J. Martin-Albo, J. Novella, P. Sorel, M. Tornero, A. TI Large-angle production of charged pions by 3 GeV/c-12 GeV/c protons on carbon, copper and tin targets SO EUROPEAN PHYSICAL JOURNAL C LA English DT Article ID ATMOSPHERIC NEUTRINO FLUX; PRODUCTION CROSS-SECTION; OF-FLIGHT SYSTEM; HARP EXPERIMENT; POSITIVE PIONS; CERN PS; PERFORMANCE; CALIBRATION; COLLISIONS; DETECTOR AB A measurement of the double-differential pi(+/-) production cross-section in proton-carbon, proton-copper and proton-tin collisions in the range of pion momentum 100 MeV/c <= p <800 MeV/c and angle 0.35 rad <= theta < 2.15 rad is presented. The data were taken with the HARP detector in the T9 beam line of the CERN PS. The pions were produced by proton beams in a momentum range from 3 GeV/c to 12 GeV/c hitting a target with a thickness of 5% of a nuclear interaction length. The tracking and identification of the produced particles was done using a small-radius cylindrical time projection chamber (TPC) placed in a solenoidal magnet. An elaborate system of detectors in the beam line ensured the identification of the incident particles. Results are shown for the double-differential cross-sections d(2) sigma/dp d theta at four incident proton beam momenta (3 GeV/c, 5 GeV/c, 8 GeV/c and 12 GeV/c). C1 [Catanesi, M. G.; Radicioni, E.] Sezione Ist Nazl Fis Nucl, Bari, Italy. [Edgecock, R.; Ellis, M.; Robbins, S.; Soler, F. J. P.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Goessling, C.] Univ Dortmund, Inst Phys, D-4600 Dortmund, Germany. [Bunyatov, S.; Krasnoperov, A.; Popov, B.; Serdiouk, V.; Tereschenko, V.] Joint Inst Nucl Res Dubna, Dubna, Russia. [Di Capua, E.; Vidal-Sitjes, G.] Univ Studi, Ferrara, Italy. [Di Capua, E.; Vidal-Sitjes, G.] Sezione Ist Nazl Fis Nucl, Ferrara, Italy. [Arce, P.; Artamonov, A.; Giani, S.; Gilardoni, S.; Gorbunov, P.; Grant, A.; Grossheim, A.; Gruber, P.; Ivanchenko, V.; Kayis-Topaksu, A.; Panman, J.; Papadopoulos, I.; Pasternak, J.; Tcherniaev, E.; Tsukerman, I.; Veenhof, R.; Wiebusch, C.; Zucchelli, P.] CERN, Geneva, Switzerland. [Blondel, A.; Campanelli, M.; Morone, M. C.; Prior, G.; Schroeter, R.] Univ Geneva, Sect Phys, Geneva, Switzerland. [Engel, R.; Meurer, C.] Forschungszentrum Karlsruhe, Inst Phys, Karlsruhe, Germany. [Kato, I.] Kyoto Univ, Kyoto, Japan. [Gastaldi, U.] Ist Nazl Fis Nucl, Lab Nazl Legnaro, I-35020 Legnaro, Italy. [Mills, G. B.] Los Alamos Natl Lab, Los Alamos, NM USA. [Graulich, J. S.; Gregoire, G.] Catholic Univ Louvain, Inst Phys Nucl, B-1348 Louvain, Belgium. [Kirsanov, M.] Russian Acad Sci, Inst Nucl Res, Moscow, Russia. [Bonesini, M.; Ferri, F.; Paganoni, M.] Univ Studi, Milan, Italy. [Ferri, F.; Paganoni, M.; Paleari, F.] SEZ INFN Milano Bicocca, Milan, Italy. [Bagulya, A.; Grichine, V.; Polukhina, N.] Russian Acad Sci, PN Lebedev Phys Inst, FIAN, Moscow, Russia. [Palladino, V.] Univ Naples Federico II, Naples, Italy. [Palladino, V.] Sezione Ist Nazl Fis Nucl, Naples, Italy. [Coney, L.; Schmitz, D.] Columbia Univ, New York, NY USA. [Barr, G.; De Santo, A.; Pattison, C.; Zuber, K.] Univ Oxford, Nucl & Astrophys Lab, Oxford OX1 2JD, England. [Bobisut, F.; Gibin, D.; Guglielmi, A.; Mezzetto, M.] Univ Studi, Padua, Italy. [Bobisut, F.; Gibin, D.; Guglielmi, A.; Mezzetto, M.] Sezione Ist Nazl Fis Nucl, Padua, Italy. [Booth, C.; Buttar, C.; Hodgson, P.; Howlett, L.] Univ Sheffield, Dept Phys, Sheffield, S Yorkshire, England. [Bogomilov, M.; Chizhov, M.; Kolev, D.; Tsenov, R.] Sofia Univ St Kliment Ohridski, Fac Phys, Sofia, Bulgaria. [Piperov, S.; Temnikov, P.] Bulgarian Acad Sci, Inst Nucl Res & Nucl Energy, Sofia, Bulgaria. [Apollonio, M.; Chimenti, P.; Giannini, G.; Santin, G.] Univ Studi, Trieste, Italy. [Apollonio, M.; Chimenti, P.; Giannini, G.; Santin, G.] Sezione Ist Nazl Fis Nucl, Trieste, Italy. [Cervera-Villanueva, A.; Gomez-Cadenas, J. J.; Martin-Albo, J.; Novella, P.; Sorel, M.; Tornero, A.] CSIC, IFIC, Inst Fis Corpuscular, Madrid, Spain. [Burguet-Castell, J.; Cervera-Villanueva, A.; Gomez-Cadenas, J. J.; Martin-Albo, J.; Novella, P.; Sorel, M.; Tornero, A.] Univ Valencia, E-46003 Valencia, Spain. [Arce, P.; Tsukerman, I.] Univ Cantabria, Inst Fis Cantabria, E-39005 Santander, Spain. [Artamonov, A.] ITEP, Moscow, Russia. [Dumarchez, J.; Vannucci, F.] Univ Paris 06, LPNHE, Paris, France. [Dumarchez, J.; Vannucci, F.] Univ Paris 07, Paris, France. [Catanesi, M. G.; Radicioni, E.] Univ Studi, Bari, Italy. RP Catanesi, MG (reprint author), Univ Studi, Bari, Italy. EM gomez@mail.cern.ch RI Gomez Cadenas, Juan Jose/L-2003-2014; Grichine, Vladimir/M-8526-2015; Polukhina, Natalia/E-1610-2014; Arce, Pedro/L-1268-2014; Soler, Paul/E-8464-2011; Tcherniaev, Evgueni/G-3453-2016; Graulich, Jean-Sebastien/B-4806-2009; Buttar, Craig/D-3706-2011; Chimenti, Pietro/F-9898-2012; Wiebusch, Christopher/G-6490-2012; Prior, Gersende/I-8191-2013; Bagulya, Alexander/D-4273-2014; Novella, Pau/K-2845-2014; Paganoni, Marco/A-4235-2016; Morone, Maria Cristina/P-4407-2016; Temnikov, Petar/L-6999-2016; Booth, Christopher/B-5263-2016; OI Gomez Cadenas, Juan Jose/0000-0002-8224-7714; Arce, Pedro/0000-0003-3009-0484; Soler, Paul/0000-0002-4893-3729; Tcherniaev, Evgueni/0000-0002-3685-0635; Chimenti, Pietro/0000-0002-9755-5066; Wiebusch, Christopher/0000-0002-6418-3008; Novella, Pau/0000-0002-0923-3172; Paganoni, Marco/0000-0003-2461-275X; Morone, Maria Cristina/0000-0002-0200-0632; Temnikov, Petar/0000-0002-9559-3384; Prior, Gersende/0000-0002-6058-1420; Booth, Christopher/0000-0002-6051-2847; Sorel, Michel/0000-0003-2141-9508; Martin-Albo, Justo/0000-0002-7318-1469; Schmitz, David/0000-0003-2165-7389 NR 35 TC 20 Z9 20 U1 0 U2 2 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6044 EI 1434-6052 J9 EUR PHYS J C JI Eur. Phys. J. C PD JAN PY 2008 VL 53 IS 2 BP 177 EP 204 DI 10.1140/epjc/s10052-007-0475-4 PG 28 WC Physics, Particles & Fields SC Physics GA 250KQ UT WOS:000252299200001 ER PT J AU Yazgan, E Damgov, J Akchurin, N Genchev, V Green, D Kunori, S Schmitt, M Wu, W Zeyrek, MT AF Yazgan, E. Damgov, J. Akchurin, N. Genchev, V. Green, D. Kunori, S. Schmitt, M. Wu, W. Zeyrek, M. T. TI Search for a standard model Higgs boson in CMS via vector boson fusion in the H -> WW -> l nu l nu channel SO EUROPEAN PHYSICAL JOURNAL C LA English DT Article ID WEAK INTERACTIONS; HIGH-ENERGIES; MASS AB We present the potential for discovering the standard model Higgs boson produced via the vector-boson fusion mechanism. We considered the decay of Higgs bosons to the W(+)W(-)final state, with both W-bosons subsequently decaying leptonically. The main background is t (t) over bar produced in association with one or more jets. This study is based on a full simulation of the CMS detector. The result is that a signal of 5 sigma significance can be obtained with an integrated luminosity of 12-72 fb(-1) stop for Higgs boson masses in the range 130 < m(H)< 200 GeV. In addition, the major background can be measured directly to 7% from the data with an integrated luminosity of 30 fb(-1) stop. We also suggest a method to determine the Higgs mass using template transverse mass distributions. C1 [Yazgan, E.; Zeyrek, M. T.] Middle E Tech Univ, TR-06531 Ankara, Turkey. [Yazgan, E.; Damgov, J.; Green, D.; Wu, W.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Damgov, J.; Genchev, V.] Bulgarian Acad Sci, Inst Nucl Res & Nucl Energy, Sofia, Bulgaria. [Akchurin, N.] Texas Tech Univ, Lubbock, TX 79409 USA. [Kunori, S.] Univ Maryland, College Pk, MD 20742 USA. [Schmitt, M.] Northwestern Univ, Evanston, IL USA. RP Yazgan, E (reprint author), Middle E Tech Univ, TR-06531 Ankara, Turkey. EM efe@fnal.gov RI Yazgan, Efe/C-4521-2014 OI Yazgan, Efe/0000-0001-5732-7950 NR 15 TC 4 Z9 4 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 1434-6044 J9 EUR PHYS J C JI Eur. Phys. J. C PD JAN PY 2008 VL 53 IS 2 BP 329 EP 347 DI 10.1140/epjc/s10052-007-0485-2 PG 19 WC Physics, Particles & Fields SC Physics GA 250KQ UT WOS:000252299200012 ER PT J AU Robert, A Wagner, J Hartl, W Autenrieth, T Grubel, G AF Robert, A. Wagner, J. Haertl, W. Autenrieth, T. Gruebel, G. TI Dynamics in dense suspensions of charge-stabilized colloidal particles SO EUROPEAN PHYSICAL JOURNAL E LA English DT Article ID HYDRODYNAMIC INTERACTION; TIME DYNAMICS; DIFFUSION; SPHERES; MONODISPERSE AB The dynamic behavior of charge-stabilized colloidal particles in suspension was studied by photon correlation spectroscopy with coherent X-rays (XPCS). The short-time diffusion coefficient, D(Q), was measured for volume concentrations phi <= 0.18 and compared to the free particle diffusion constant D(0) and the static structure factor S(Q) . The data show that indirect, hydrodynamic interactions are relevant for the system and hydrodynamic functions were derived. The results are in striking contrast to the predictions of the PA (pairwise-additive approximation) model, but show features typical for a hard-sphere system. The observed mobility is however considerably smaller than the one of a respective hard-sphere system. The hydrodynamic functions can be modelled quantitatively if one allows for an increased effective viscosity relative to the hard-sphere case. C1 [Robert, A.] European Synchrotron Radiat Facil, F-38043 Grenoble, France. [Wagner, J.] Univ Saarland, D-66123 Saarbrucken, Germany. [Haertl, W.] Wallburg Realschule, D-97483 Eltmann, Germany. [Autenrieth, T.; Gruebel, G.] HASYLAB, DESY, D-22607 Hamburg, Germany. RP Robert, A (reprint author), Stanford Univ, Stanford Linear Accelerator Ctr, 2575 Sand Hill RD,Menlo Pk, Menlo Pk, CA 94025 USA. EM aymeric@slac.stanford.edu NR 22 TC 12 Z9 12 U1 2 U2 18 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1292-8941 J9 EUR PHYS J E JI Eur. Phys. J. E PD JAN PY 2008 VL 25 IS 1 BP 77 EP 81 DI 10.1140/epje/i2007-10265-5 PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary; Physics, Applied; Polymer Science SC Chemistry; Materials Science; Physics; Polymer Science GA 270YU UT WOS:000253756900009 PM 18265932 ER PT S AU Watkins, JH Rodriguez, MA AF Watkins, Jennifer H. Rodriguez, Marko A. BE Nayak, R Ichalkaranje, N Jain, LC TI A Survey of Web-Based Collective Decision Making Systems SO EVOLUTION OF THE WEB IN ARTIFICIAL INTELLIGENCE ENVIRONMENTS SE Studies in Computational Intelligence LA English DT Article; Book Chapter ID RECOMMENDER SYSTEMS; PREDICTION MARKETS; SUPPORT-SYSTEMS; RECALL AB A collective decision making system uses an aggregation mechanism to combine the input of individuals to generate a decision. The decisions generated serve a variety of purposes from governance rulings to forecasts for planning. The Internet hosts a suite of collective decision making systems, some that were inconceivable before the web. In this paper, we present a taxonomy of collective decision making systems into which we place seven principal web-based tools. This taxonomy serves to elucidate the state of the art in web-based collective decision making as well as to highlight opportunities for innovation. C1 [Watkins, Jennifer H.; Rodriguez, Marko A.] Los Alamos Natl Lab, Digital Lib Res & Prototyping Team, Los Alamos, NM 87545 USA. RP Watkins, JH (reprint author), Los Alamos Natl Lab, Digital Lib Res & Prototyping Team, POB 1663, Los Alamos, NM 87545 USA. EM jhw@lanl.gov NR 85 TC 3 Z9 3 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 1860-949X BN 978-3-540-79139-3 J9 STUD COMPUT INTELL PY 2008 VL 130 BP 243 EP 277 D2 10.1007/978-3-540-79140-9 PG 35 WC Computer Science, Artificial Intelligence; Telecommunications SC Computer Science; Telecommunications GA BJO23 UT WOS:000266888400011 ER PT J AU Keim, P Pearson, T Okinaka, RT AF Keim, Paul Pearson, Talima Okinaka, Richard T. BE Baquero, F Nombela, C Cassell, GH GutierrezFuentes, JA TI Evolution of Bacillus anthracis, Causative Agent of Anthrax SO EVOLUTIONARY BIOLOGY OF BACTERIAL AND FUNGAL PATHOGENS LA English DT Article; Book Chapter ID SINGLE-NUCLEOTIDE POLYMORPHISMS; DEPENDENT ADENYLATE-CYCLASE; CLOSELY-RELATED BACTERIA; PROTECTIVE ANTIGEN; SEQUENCE CONSERVATION; POPULATION-STRUCTURE; GENOME SEQUENCE; RIBOSOMAL-RNA; LETHAL FACTOR; PXO1 PLASMID C1 [Keim, Paul; Pearson, Talima; Okinaka, Richard T.] No Arizona Univ, Dept Biol Sci, Flagstaff, AZ 86011 USA. [Keim, Paul; Okinaka, Richard T.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. RP Keim, P (reprint author), No Arizona Univ, Dept Biol Sci, Box 5640, Flagstaff, AZ 86011 USA. NR 80 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N STREET NW, WASHINGTON, DC 20036-2904 USA BN 978-1-55581-563-9 PY 2008 BP 523 EP 533 PG 11 WC Infectious Diseases; Microbiology; Pathology SC Infectious Diseases; Microbiology; Pathology GA BOX96 UT WOS:000277991000045 ER PT S AU Garvey, GT AF Garvey, Gerald T. BE Trache, L Stoica, S TI Message of a (proud) mentor SO EXOTIC NUCLEI AND NUCLEAR /PARTICLE ASTROPHYSICS (II) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 22nd Carpathian Summer School of Physics 2007 CY AUG 20-31, 2007 CL Sinaia, ROMANIA SP Natl Inst Phys & Nuclear Engn, Cyclotron Inst, Texas A&M Univ, Coll Stn, Romanian Natl Author Sci Res C1 [Garvey, Gerald T.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Garvey, GT (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NR 0 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 978-0-7354-0490-8 J9 AIP CONF PROC PY 2008 VL 972 BP 3 EP + PG 2 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA BHI01 UT WOS:000253372300001 ER PT S AU Vary, JP Maris, P Negoita, A Navratil, R Gueorguiev, VG Ormand, WE Nogga, A Shirokov, A Stoica, S AF Vary, J. P. Maris, P. Negoita, A. Navratil, R. Gueorguiev, V. G. Ormand, W. E. Nogga, A. Shirokov, A. Stoica, S. BE Trache, L Stoica, S TI Elements of the ab initio no core shell model SO EXOTIC NUCLEI AND NUCLEAR /PARTICLE ASTROPHYSICS (II) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 22nd Carpathian Summer School of Physics 2007 CY AUG 20-31, 2007 CL Sinaia, ROMANIA SP Natl Inst Phys & Nuclear Engn, Cyclotron Inst, Texas A&M Univ, Coll Stn, Romanian Natl Author Sci Res DE light nuclear properties; chiral effective field theory; inverse scattering potentials; many-body theory ID EFFECTIVE-FIELD THEORY; CHIRAL LAGRANGIANS; NUCLEAR-FORCES; LIGHT-NUCLEI AB We outline the ab initio no core shell model and present recent results. Nuclear properties are evaluated with two-nucleon (NN) and three-nucleon interactions (TNI) derived within effective field theory (EFT) based on chiral perturbation theory (ChPT). Fitting two available parameters of the TNI generates good descriptions of light nuclei. In another effort, referred to as the ab exitu approach, results are obtained with a realistic NN interaction derived by inverse scattering theory with off-shell properties tuned to fit light nuclei. Both approaches produce good results for observables sensitive to spin-orbit properties. In a third approach, we supplement the derived realistic effective interaction with phenomenological NN interaction terms with the goal to describe spectra of fp-shell nuclei in the limited basis spaces currently available. C1 [Vary, J. P.; Maris, P.; Negoita, A.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Navratil, R.; Gueorguiev, V. G.; Ormand, W. E.] Lawrence Livermore Natl Lab, Livermore, CA USA. [Nogga, A.] Forschungszentrum Julich, Inst fur KernPhys Theor, D-52425 Julich, Germany. [Shirokov, A.] Moscow MV Lomonosov State Univ, Skobeltsyn Inst Nucl Phys, Moscow 119992, Russia. [Stoica, S.] Horia Hulubei Natl Inst Phys & Nucl Engn, Bucharest 76900, Romania. RP Vary, JP (reprint author), Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. EM jvary@iastate.edu; fnegoita@nipne.ro; stoica@nipne.ro RI Nogga, Andreas/A-3354-2008; Shirokov, Andrey/D-7054-2012; Gueorguiev, Vesselin/A-9679-2009 OI Nogga, Andreas/0000-0003-2156-748X; Gueorguiev, Vesselin/0000-0002-2022-6432 FU U. S. Department of Energy [DE-FG02-87ER40371, DE-FC02-07ER41457]; Lawrence Livermore National Laboratory [W-7405-Eng-48]; LDRD [04-ERD-058]; U.S. DOE/SC/NP [SCW0498]; Russian Foundation of Basic Research FX This work was supported in part by the U. S. Department of Energy Grants DE-FG02-87ER40371 and DE-FC02-07ER41457. This work was also partly performed under the auspices of the U. S. Department of Energy by the University of California, Lawrence Livermore National Laboratory under contract No. W-7405-Eng-48. Support from the LDRD contract No. 04-ERD-058 and from U.S. DOE/SC/NP (Work Proposal Number SCW0498) is acknowledged. This work was also supported in part by the Russian Foundation of Basic Research. NR 33 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 978-0-7354-0490-8 J9 AIP CONF PROC PY 2008 VL 972 BP 49 EP + PG 3 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA BHI01 UT WOS:000253372300006 ER PT S AU Tang, X Rehm, KE Ahmad, I Brune, CR Champagne, A Greene, JP Hecht, AA Henderson, D Janssen, RVF Jiang, CL Jisonna, L Kahl, D Moore, EF Notani, M Pardo, RC Patel, N Paul, M Savard, G Schiffer, JP Segel, RE Sinha, S Shumard, B Wuosmaa, AH AF Tang, Xiaodong Rehm, K. E. Ahmad, I. Brune, C. R. Champagne, A. Greene, J. P. Hecht, A. A. Henderson, D. Janssen, R. V. F. Jiang, C. L. Jisonna, L. Kahl, D. Moore, E. F. Notani, M. Pardo, R. C. Patel, N. Paul, M. Savard, G. Schiffer, J. P. Segel, R. E. Sinha, S. Shumard, B. Wuosmaa, A. H. BE Trache, L Stoica, S TI The S-E1 factor of the C-12(alpha,gamma)O-16 reaction and the N-16 beta-delayed alpha decay SO EXOTIC NUCLEI AND NUCLEAR /PARTICLE ASTROPHYSICS (II) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 22nd Carpathian Summer School of Physics 2007 CY AUG 20-31, 2007 CL Sinaia, ROMANIA SP Natl Inst Phys & Nuclear Engn, Cyclotron Inst, Texas A&M Univ, Coll Stn, Romanian Natl Author Sci Res DE C-12(alpha,gamma)O-16 reaction; N-16 beta-delayed alpha decay; S-E1 factor ID CROSS-SECTION; PARTICLE EMISSION; STELLAR ENERGIES; NUCLEOSYNTHESIS; SPECTRUM AB The C-12(alpha,gamma)O-16 reaction is of great importance for the understanding the nuclear synthesis and explosion mechanism of the supernova. The cross section at the relevant stellar burning energies, around 300 keV, is dominated by the sub-threshold resonances. The N-16 beta-delayed alpha decay data provide the most sensitive constrain on this sub-threshold resonance. Using twin-ionization chambers, we have measured the alpha particles and C-12 recoil nuclei in coincidence. The spectrum has been fitted together with the published C-12(alpha,gamma)O-16 data and the elastic scattering phase shift data using R-matrix. The S-E1 factor at 300 keV has been determined as 73 +/- 21 keVb. C1 [Tang, Xiaodong] Univ Notre Dame, Notre Dame, IN 46530 USA. [Rehm, K. E.; Ahmad, I.; Greene, J. P.; Hecht, A. A.; Henderson, D.; Janssen, R. V. F.; Jiang, C. L.; Kahl, D.; Moore, E. F.; Notani, M.; Pardo, R. C.; Patel, N.; Savard, G.; Schiffer, J. P.; Sinha, S.; Shumard, B.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Brune, C. R.] Ohio Univ, Athens, OH 45701 USA. [Champagne, A.] Univ N Carolina, Chapel Hill, NC 27599 USA. [Jisonna, L.; Segel, R. E.] Northwestern Univ, Evanston, IL 60208 USA. [Paul, M.] Hebrew Univ Jerusalem, Jerusalem, Israel. [Wuosmaa, A. H.] Western Michigan Univ, Kalamazoo, MI 49008 USA. RP Tang, X (reprint author), Univ Notre Dame, Notre Dame, IN 46530 USA. RI Tang, Xiaodong /F-4891-2016 NR 19 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 978-0-7354-0490-8 J9 AIP CONF PROC PY 2008 VL 972 BP 261 EP + PG 2 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA BHI01 UT WOS:000253372300029 ER PT S AU Battistoni, G Cerutti, F Fasso, A Ferrari, A Garzelli, MV Lantz, M Muraro, S Pinsky, LS Ranft, J Roesler, S Sala, PR AF Battistoni, G. Cerutti, F. Fasso, A. Ferrari, A. Garzelli, M. V. Lantz, M. Muraro, S. Pinsky, L. S. Ranft, J. Roesler, S. Sala, P. R. BE Trache, L Stoica, S TI Secondary cosmic ray particles due to GCR interactions in the Earth's atmosphere SO EXOTIC NUCLEI AND NUCLEAR /PARTICLE ASTROPHYSICS (II) SE AIP Conference Proceedings LA English DT Proceedings Paper CT 22nd Carpathian Summer School of Physics 2007 CY AUG 20-31, 2007 CL Sinaia, ROMANIA SP Natl Inst Phys & Nuclear Engn, Cyclotron Inst, Texas A&M Univ, Coll Stn, Romanian Natl Author Sci Res DE GCR EAS; inclusive fluxes of secondary particles; Monte Carlo models and codes ID BESS SPECTROMETER; FLUKA CODE AB Primary GCR interact with the Earth's atmosphere originating atmospheric showers, thus giving rise to fluxes of secondary particles in the atmosphere. Electromagnetic and hadronic interactions interplay in the production of these particles, whose detection is performed by means of complementary techniques in different energy ranges and at different depths in the atmosphere, down to the Earth's surface. Monte Carlo codes are essential calculation tools which can describe the complexity of the physics of these phenomena, thus allowing the analysis of experimental data. However, these codes are affected by important uncertainties, concerning, in particular, hadronic physics at high energy. In this paper we shall report some results concerning inclusive particle fluxes and atmospheric shower properties as obtained using the FLUKA transport and interaction code. Some emphasis will also be given to the validation of the physics models of FLUKA involved in these calculations. C1 [Battistoni, G.; Garzelli, M. V.; Muraro, S.; Sala, P. R.] Univ Milan, Dept Phys, Milan, Italy. [Cerutti, F.; Ferrari, A.] CERN, CH-1211 Geneva 23, Switzerland. [Fasso, A.] SLAC, Stanford, CA USA. [Garzelli, M. V.; Lantz, M.] Chalmers Univ, Dept Fundamental Phys, Gothenburg, Sweden. [Pinsky, L. S.] Univ Houston, Dept Phys, Houston, TX 77004 USA. [Ranft, J.] Stegen Univ, Fachbereich 7 Phys, Stegen, Germany. RP Battistoni, G (reprint author), Univ Milan, Dept Phys, Milan, Italy. RI Battistoni, Giuseppe/B-5264-2012; OI Battistoni, Giuseppe/0000-0003-3484-1724; sala, paola/0000-0001-9859-5564 NR 21 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 978-0-7354-0490-8 J9 AIP CONF PROC PY 2008 VL 972 BP 449 EP + PG 2 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA BHI01 UT WOS:000253372300050 ER PT S AU Stetcu, L AF Stetcu, Lonel BE Trache, L Stoica, S TI No-core shell model as an effective theory SO EXOTIC NUCLEI AND NUCLEAR /PARTICLE ASTROPHYSICS (II) SE AIP CONFERENCE PROCEEDINGS LA English DT Proceedings Paper CT 22nd Carpathian Summer School of Physics 2007 CY AUG 20-31, 2007 CL Sinaia, ROMANIA SP Natl Inst Phys & Nuclear Engn, Cyclotron Inst, Texas A&M Univ, Coll Stn, Romanian Natl Author Sci Res DE shell model; effective operators ID EFFECTIVE-FIELD-THEORY; HARMONIC TRAP AB In the last years, much progress has been achived in the description of many-body systems. I discuss one possible way to improve upon the successes of the many-body approaches by employing general principles in order to construct more reliable interactions to be used in nuclear many-body calculations. Such approaches should give us more predictive power for the description of low-energy properties of nuclei far from stability. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA. RP Stetcu, L (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM USA. NR 16 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 978-0-7354-0490-8 J9 AIP CONF PROC PY 2008 VL 972 BP 541 EP 545 PG 5 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA BHI01 UT WOS:000253372300068 ER PT J AU Tripkovic, DV Strmcnik, D van der Vliet, D Stamenkovic, V Markovic, NM AF Tripkovic, D. V. Strmcnik, D. van der Vliet, D. Stamenkovic, V. Markovic, N. M. TI The role of anions in surface electrochemistry SO FARADAY DISCUSSIONS LA English DT Article; Proceedings Paper CT Conference on Electrocatalysis Theory and Experiment at the Interface CY JUL 07-09, 2008 CL Univ Southampton, Southampton, ENGLAND HO Univ Southampton ID SINGLE-CRYSTAL ELECTRODES; SCANNING-TUNNELING-MICROSCOPY; OXYGEN REDUCTION; UNDERPOTENTIAL DEPOSITION; HYDROGEN ADSORPTION; H-2/CO MIXTURES; ACID-SOLUTIONS; PT(111); ELECTROOXIDATION; DIFFRACTION AB Some issues of the current state of understanding in the surface electrochemistry are discussed, with emphases on the role of specifically adsorbing anions in hydrogen adsorption and oxide formation, adsorption and ordering of molecular adsorbates and metal ions, metal deposition, restructuring and stability of surface atoms, and kinetics of electrochemical reactions. C1 [Tripkovic, D. V.; Strmcnik, D.; van der Vliet, D.; Stamenkovic, V.; Markovic, N. M.] Univ Chicago, Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Markovic, NM (reprint author), Univ Chicago, Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. EM nmmarkovic@anl.gov RI van der Vliet, Dennis/P-2983-2015 OI van der Vliet, Dennis/0000-0002-2524-527X NR 48 TC 70 Z9 70 U1 5 U2 37 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1364-5498 J9 FARADAY DISCUSS JI Faraday Discuss. PY 2008 VL 140 BP 25 EP 40 DI 10.1039/b803714k PG 16 WC Chemistry, Physical SC Chemistry GA 365VR UT WOS:000260437800003 PM 19213308 ER PT J AU Lucas, CA Cormack, M Gallagher, ME Brownrigg, A Thompson, P Fowler, B Grunder, Y Roy, J Stamenkovic, V Markovic, NM AF Lucas, Christopher A. Cormack, Michael Gallagher, Mark E. Brownrigg, Alexander Thompson, Paul Fowler, Ben Grunder, Yvonne Roy, Jerome Stamenkovic, Vojislav Markovic, Nenad M. TI From ultra-high vacuum to the electrochemical interface: X-ray scattering studies of model electrocatalysts SO FARADAY DISCUSSIONS LA English DT Article; Proceedings Paper CT Conference on Electrocatalysis Theory and Experiment at the Interface CY JUL 07-09, 2008 CL Univ Southampton, Southampton, ENGLAND HO Univ Southampton ID ALLOY SURFACES; OXYGEN REDUCTION; AU(001) RECONSTRUCTION; ELECTROLYTE INTERFACE; DIFFRACTION; PT(111); RELAXATION; REFLECTIVITY; SEGREGATION; ADSORPTION AB In-situ surface X-ray scattering (SXS) has become a powerful probe of the atomic structure at the metal-electrolyte interface. In this paper we describe an experiment in which a Pt(111) sample is prepared under ultra-high vacuum (UHV) conditions to have a p(2 x 2) oxygen layer adsorbed on the surface. The surface is then studied using SXS under UHV conditions before successive transfer to a bulk water environment and then to the electrochemical environment (0.1 M KOH solution) under an applied electrode potential. The Pt surface structure is examined in detail using crystal truncation rod (CTR) measurements under these different conditions. Finally, some suggestions for future experiments on alloy materials, using the same methodology, are proposed and discussed in relation to previous results. C1 [Lucas, Christopher A.; Cormack, Michael; Brownrigg, Alexander; Thompson, Paul; Fowler, Ben] Univ Liverpool, Dept Phys, Oliver Lodge Lab, Liverpool L69 7ZE, Merseyside, England. [Gallagher, Mark E.] Univ Liverpool, Surface Sci Res Ctr, Liverpool L69 7ZE, Merseyside, England. [Grunder, Yvonne; Roy, Jerome] European Synchrotron Radiat Facil, F-38043 Grenoble, France. [Stamenkovic, Vojislav; Markovic, Nenad M.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Lucas, CA (reprint author), Univ Liverpool, Dept Phys, Oliver Lodge Lab, Liverpool L69 7ZE, Merseyside, England. EM clucas@liv.ac.uk RI Grunder, Yvonne/C-6137-2011; OI Grunder, Yvonne/0000-0002-5295-0927; Lucas, Christopher/0000-0001-5743-3868 NR 44 TC 14 Z9 14 U1 2 U2 23 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1364-5498 J9 FARADAY DISCUSS JI Faraday Discuss. PY 2008 VL 140 BP 41 EP 58 DI 10.1039/b803523g PG 18 WC Chemistry, Physical SC Chemistry GA 365VR UT WOS:000260437800004 PM 19213309 ER PT J AU Delacote, C Bonakdarpour, A Johnston, CM Zelenay, P Wieckowski, A AF Delacote, Cyril Bonakdarpour, Arman Johnston, Christina M. Zelenay, Piotr Wieckowski, Andrzej TI Aqueous-based synthesis of ruthenium-selenium catalyst for oxygen reduction reaction SO FARADAY DISCUSSIONS LA English DT Article; Proceedings Paper CT Conference on Electrocatalysis Theory and Experiment at the Interface CY JUL 07-09, 2008 CL Univ Southampton, Southampton, ENGLAND HO Univ Southampton ID RU/C CATHODE CATALYSTS; METHANOL FUEL-CELL; ELECTROCATALYSTS; NANOPARTICLES; SE; SPECTROSCOPY; FABRICATION; ELECTRODES; KINETICS AB Carbon-supported Se/Ru(Se) catalysts of a broad range of composition were synthesized via a reduction procedure in which a mixture of RuCl(3), SeO(2) and Black Pearl carbon was treated with NaBH(4) in basic media at room temperature. Physical characterization of the catalyst was performed by X-ray diffraction, energy dispersive X-ray spectroscopy and by high resolution transmission electron microscopy. The effect of NaOH addition during the reduction by NaBH(4) and the impact of a post-reduction thermal treatment at 500 degrees C were interrogated. The activity of the catalyst towards the oxygen reduction reaction was studied by the use of a rotating disk electrode. It was found that the half-wave potential for the oxygen reduction reaction was about 0.78 V vs. RHE. The Se-to-Ru ratio and metal loading on carbon were optimized for the oxygen reduction reaction and the optimized catalyst was tested at the cathode of a polymer electrolyte fuel cell. The stability of the Se/Ru( Se) catalyst was evaluated by electrochemical cycling and by leaching the catalyst in 0.5 M H(2)SO(4) at 80 degrees C. C1 [Delacote, Cyril; Bonakdarpour, Arman; Wieckowski, Andrzej] Univ Illinois, Dept Chem, Urbana, IL 61801 USA. [Johnston, Christina M.; Zelenay, Piotr] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. RP Wieckowski, A (reprint author), Univ Illinois, Dept Chem, Urbana, IL 61801 USA. EM andrzej@scs.uiuc.edu RI Johnston, Christina/A-7344-2011 NR 39 TC 29 Z9 29 U1 3 U2 21 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1364-5498 J9 FARADAY DISCUSS JI Faraday Discuss. PY 2008 VL 140 BP 269 EP 281 DI 10.1039/b806377j PG 13 WC Chemistry, Physical SC Chemistry GA 365VR UT WOS:000260437800019 PM 19213322 ER PT J AU Yu, CF Koh, S Leisch, JE Toney, MF Strasser, P AF Yu, Chengfei Koh, Shirlaine Leisch, Jennifer E. Toney, Michael F. Strasser, Peter TI Size and composition distribution dynamics of alloy nanoparticle electrocatalysts probed by anomalous small angle X-ray scattering (ASAXS) SO FARADAY DISCUSSIONS LA English DT Article; Proceedings Paper CT Conference on Electrocatalysis Theory and Experiment at the Interface CY JUL 07-09, 2008 CL Univ Southampton, Southampton, ENGLAND HO Univ Southampton ID ACTIVITY-STABILITY RELATIONSHIPS; OXYGEN REDUCTION REACTION; TEMPERATURE FUEL-CELLS; PARTICLE-SIZE; PLATINUM; CATALYSTS; SITU; CO; ELECTRODE; SURFACE AB Anomalous small angle X-ray scattering (ASAXS) is shown to be an ideal technique to investigate the particle size and particle composition dynamics of carbon-supported alloy nanoparticle electrocatalysts at the atomic scale. In this technique, SAXS data are obtained at different X-ray energies close to a metal absorption edge, where the metal scattering strength changes, providing element specificity. ASAXS is used to, first, establish relationships between annealing temperature and the resulting particle size distribution for Pt(25)Cu(75) alloy nanoparticle electrocatalyst precursors. The Pt specific ASAXS profiles were fitted with log-normal distributions. High annealing temperatures during alloy synthesis caused a significant shift in the alloy particle size distribution towards larger particle diameters. Second, ASAXS was used to characterize electrochemical Cu dissolution and dealloying processes of a carbon-supported Pt(25)Cu(75) electrocatalyst precursor in acidic electrolytes. By performing ASAXS at both the Pt and Cu absorption edges, the unique power of this technique is demonstrated for probing composition dynamics at the atomic scale. These ASAXS measurements provided detailed information on the changes in the size distribution function of the Pt atoms and Cu atoms. A shift in the Cu scattering profile towards larger scattering vectors indicated the removal of Cu atoms from the alloy particle surface suggesting the formation of a Pt enriched Pt shell surrounding a Pt-Cu core. Together with XRD and TEM, ASAXS is proposed to play an increasingly important role in the mechanistic study of degradation phenomena of alloy nanoparticle electrocatalysts at the atomic scale. C1 [Yu, Chengfei; Koh, Shirlaine; Strasser, Peter] Univ Houston, Dept Chem & Biomol Engn, Houston, TX 77204 USA. [Leisch, Jennifer E.; Toney, Michael F.] Stanford Linear Accelerator Ctr, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. RP Strasser, P (reprint author), Univ Houston, Dept Chem & Biomol Engn, Houston, TX 77204 USA. RI Strasser, Peter/A-1868-2012 NR 64 TC 55 Z9 56 U1 4 U2 56 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1364-5498 J9 FARADAY DISCUSS JI Faraday Discuss. PY 2008 VL 140 BP 283 EP 296 DI 10.1039/b801586d PG 14 WC Chemistry, Physical SC Chemistry GA 365VR UT WOS:000260437800020 PM 19213323 ER PT J AU Wang, JX Uribe, FA Springer, TE Zhang, JL Adzic, RR AF Wang, Jia X. Uribe, Francisco A. Springer, Thomas E. Zhang, Junliang Adzic, Radoslav R. TI Intrinsic kinetic equation for oxygen reduction reaction in acidic media: the double Tafel slope and fuel cell applications SO FARADAY DISCUSSIONS LA English DT Article; Proceedings Paper CT Conference on Electrocatalysis Theory and Experiment at the Interface CY JUL 07-09, 2008 CL Univ Southampton, Southampton, ENGLAND HO Univ Southampton ID HYDROGEN OXIDATION REACTION; DISK ELECTRODE; CATALYST; CATHODE; PEMFC; ADSORPTION; PT(111); PERFORMANCE; PARAMETERS; DEPENDENCE AB According to Sergio Trasatti, "A true theory of electrocatalysis will not be available until activity can be calculated a priori from some known properties of the materials.'' Toward this goal, we developed intrinsic kinetic equations for the hydrogen oxidation reaction (HOR) and the oxygen reduction reaction (ORR) using as the kinetic parameters the free energies of adsorption and activation for elementary reactions. Rigorous derivation retained the intrinsic connection between the intermediates' adsorption isotherms and the kinetic equations, affording us an integrated approach for establishing the reaction mechanisms based upon various experimental and theoretical results. Using experimentally deduced free energy diagrams and activity-and-barriers plot for the ORR on Pt(111), we explained why the Tafel slope in the large overpotential region is double that in the small overpotential region. For carbon-supported Pt nanoparticles (Pt/C), the polarization curves measured with thin-film rotating disk electrodes also exhibit the double Tafel slope, albeit Pt(111) is several times more active than the Pt nanoparticles when the current is normalized by real surface area. An analytic method was presented for the polarization curves measured with H(2) in proton exchange membrane fuel cells (PEMFCs). The fit to a typical iR-free polarization curve at 80 degrees C revealed that the change of the Tafel slope occurs at about 0.77 V that is the reversible potential for the transition between adsorbed O and OH on Pt/C. This is significant because it predicts that the Butler-Volmer equation can only fit the data above this potential, regardless the current density. We also predicted a decrease of the Tafel slope from 70 to 65 mV dec(-1) at 80 degrees C with increasing oxygen partial pressure, which is consistent with the observation reported in literature. C1 [Wang, Jia X.; Adzic, Radoslav R.] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Uribe, Francisco A.; Springer, Thomas E.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Zhang, Junliang] Gen Motors Corp, Fuel Cell Res Ctr, Honeoye Falls, NY 14472 USA. RP Wang, JX (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM jia@bnl.gov.gov RI Wang, Jia/B-6346-2011 NR 35 TC 71 Z9 72 U1 5 U2 82 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1364-5498 J9 FARADAY DISCUSS JI Faraday Discuss. PY 2008 VL 140 BP 347 EP 362 DI 10.1039/b802218f PG 16 WC Chemistry, Physical SC Chemistry GA 365VR UT WOS:000260437800024 PM 19213326 ER PT J AU Jellinek, J AF Jellinek, Julius TI Nanoalloys: tuning properties and characteristics through size and composition SO FARADAY DISCUSSIONS LA English DT Article; Proceedings Paper CT Meeting on Nanoalloys: From Theory to Application CY SEP 03-05, 2007 CL Univ Birmingham, Birmingham, ENGLAND HO Univ Birmingham ID BIMETALLIC CLUSTERS; ALLOY CLUSTERS; IONIZATION-POTENTIALS; METAL-CLUSTERS; TRANSITION; COBALT; AL; REACTIVITY; ALUMINUM; 13-ATOM AB A brief sketch of the history of metals and alloys is followed by examples illustrating the current status of the field of nanoalloys and a discussion of our results on the characterization of structural and dynamical (thermal) properties of Ni-Al bimetallic clusters. C1 Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Jellinek, J (reprint author), Argonne Natl Lab, Chem Sci & Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM jellinek@anl.gov NR 44 TC 57 Z9 57 U1 2 U2 14 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1359-6640 EI 1364-5498 J9 FARADAY DISCUSS JI Faraday Discuss. PY 2008 VL 138 BP 11 EP 35 DI 10.1039/b800086g PG 25 WC Chemistry, Physical SC Chemistry GA 269JJ UT WOS:000253645000002 PM 18447006 ER PT J AU Herzing, AA Watanabe, M Edwards, JK Conte, M Tang, ZR Hutchings, GJ Kiely, CJ AF Herzing, Andrew A. Watanabe, Masashi Edwards, Jennifer K. Conte, Marco Tang, Zi-Rong Hutchings, Graham J. Kiely, Christopher J. TI Energy dispersive X-ray spectroscopy of bimetallic nanoparticles in an aberration corrected scanning transmission electron microscope SO FARADAY DISCUSSIONS LA English DT Article; Proceedings Paper CT Meeting on Nanoalloys: From Theory to Application CY SEP 03-05, 2007 CL Univ Birmingham, Birmingham, ENGLAND HO Univ Birmingham ID AU-PD CATALYSTS; HYDROGEN-PEROXIDE; UNCONVENTIONAL METHODS; H-2; IMAGE; GOLD; MICROANALYSIS; PALLADIUM; SPECIMENS; OXIDATION AB The technique of X-ray energy dispersive spectroscopy (XEDS) spectrum imaging in a dedicated scanning transmission electron microscope ( STEM) is discussed in relation to its applicability to bimetallic nanoparticles. It is shown that the recent availability of aberration corrected microscopes and multivariate statistical analysis (MSA) techniques has allowed us to overcome many of the intrinsic limitations previously encountered when attempting STEM-XEDS spectrum imaging on nanoscopic volumes of material. We demonstrate through a variety of applications to Au-Ag and Au-Pd bimetallic nanoparticle systems, that STEM-XEDS can provide invaluable high spatial resolution compositional information on (i) alloy homogeneity and phase segregation effects within individual nanoparticles, (ii) particle size-alloy composition correlations, (iii) the detection of trace amounts of alloying element and (iv) metal component distribution in extremely highly dispersed catalyst systems. C1 [Herzing, Andrew A.; Watanabe, Masashi; Kiely, Christopher J.] Lehigh Univ, Ctr Adv Mat & Nanotechnol, Bethlehem, PA 18015 USA. [Edwards, Jennifer K.; Conte, Marco; Tang, Zi-Rong; Hutchings, Graham J.] Cardiff Univ, Sch Chem, Cardiff CF10 3AT, S Glam, Wales. [Watanabe, Masashi] Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. RP Kiely, CJ (reprint author), Lehigh Univ, Ctr Adv Mat & Nanotechnol, 5 E Packer Ave, Bethlehem, PA 18015 USA. EM chk5@lehigh.edu RI Kiely, Christopher/B-1959-2008; Herzing, Andrew/D-6239-2012; Edwards, Jennifer/F-4518-2011; OI Conte, Marco/0000-0002-1399-0344 NR 40 TC 63 Z9 63 U1 4 U2 53 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1364-5498 J9 FARADAY DISCUSS JI Faraday Discuss. PY 2008 VL 138 BP 337 EP 351 DI 10.1039/b706293c PG 15 WC Chemistry, Physical SC Chemistry GA 269JJ UT WOS:000253645000023 PM 18447024 ER PT J AU Wlodawer, A Minor, W Dauter, Z Jaskolski, M AF Wlodawer, Alexander Minor, Wladek Dauter, Zbigniew Jaskolski, Mariusz TI Protein crystallography for non-crystallographers, or how to get the best (but not more) from published macromolecular structures SO FEBS JOURNAL LA English DT Review DE protein crystallography; Protein Data Bank; restraints; resolution; R-factor; structure determination; structure interpretation; structure quality; structure refinement; structure validation ID SARCOMA VIRUS INTEGRASE; CRYSTAL-STRUCTURE; CATALYTIC DOMAIN; ANGSTROM-RESOLUTION; RIBOSOMAL-SUBUNIT; ACTIVE-SITE; ESCHERICHIA-COLI; 3-DIMENSIONAL STRUCTURE; RADIATION-DAMAGE; ATOMIC-STRUCTURE AB The number of macromolecular structures deposited in the Protein Data Bank now exceeds 45 000, with the vast majority determined using crystallographic methods. Thousands of studies describing such structures have been published in the scientific literature, and 14 Nobel prizes in chemistry or medicine have been awarded to protein crystallographers. As important as these structures are for understanding the processes that take place in living organisms and also for practical applications such as drug design, many non-crystallographers still have problems with critical evaluation of the structural literature data. This review attempts to provide a brief outline of technical aspects of crystallography and to explain the meaning of some parameters that should be evaluated by users of macromolecular structures in order to interpret, but not over-interpret, the information present in the coordinate files and in their description. A discussion of the extent of the information that can be gleaned from the coordinates of structures solved at different resolution, as well as problems and pitfalls encountered in structure determination and interpretation are also covered. C1 [Wlodawer, Alexander] NCI, Macromol Crystallog Lab, Prot Struct Sect, Ft Detrick, MD 21702 USA. [Minor, Wladek] Univ Virginia, Dept Physiol & Mol Biolphys, Charlottesville, VA USA. [Dauter, Zbigniew] NCI, Argonne Natl Lab, Macromol Crystallog Lab, Bethesda, MD 20892 USA. [Jaskolski, Mariusz] Adam Mickiewicz Univ Poznan, Dept Crystallog, Poznan, Poland. [Jaskolski, Mariusz] Polish Acad Sci, Inst Bioorgan Chem, Ctr Biocrystallog Res, Poznan, Poland. RP Wlodawer, A (reprint author), NCI, Macromol Crystallog Lab, Prot Struct Sect, Ft Detrick, MD 21702 USA. EM wlodawer@ncifcrf.gov RI Minor, Wladek/F-3096-2014; OI Minor, Wladek/0000-0001-7075-7090 FU Intramural NIH HHS; NIGMS NIH HHS [GM53163, GM74942, R01 GM053163, U54 GM074942] NR 81 TC 64 Z9 65 U1 7 U2 54 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 1742-464X J9 FEBS J JI FEBS J. PD JAN PY 2008 VL 275 IS 1 BP 1 EP 21 DI 10.1111/j.1742-4658.2007.06178.x PG 21 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 242ZN UT WOS:000251764800001 PM 18034855 ER PT J AU Druar, C Yu, F Barnes, JL Okinaka, RT Chantratita, N Beg, S Stratilo, CW Olive, AJ Soltes, G Russell, ML Limmathurotsakul, D Norton, RE Ni, SX Picking, WD Jackson, PJ Stewart, DIH Tsvetnitsky, V Picking, WL Cherwonogrodzky, JW Ketheesan, N Peacock, SJ Wiersma, EJ AF Druar, Chris Yu, Fei Barnes, Jodie L. Okinaka, Richard T. Chantratita, Narisara Beg, Steve Stratilo, Chad W. Olive, Andrew J. Soltes, Glenn Russell, Michelle L. Limmathurotsakul, Direk Norton, Robert E. Ni, Sally X. Picking, William D. Jackson, Paul J. Stewart, Don I. H. Tsvetnitsky, Vadim Picking, Wendy L. Cherwonogrodzky, John W. Ketheesan, Natkunam Peacock, Sharon J. Wiersma, Erik J. TI Evaluating Burkholderia pseudomallei Bip proteins as vaccines and Bip antibodies as detection agents SO FEMS IMMUNOLOGY AND MEDICAL MICROBIOLOGY LA English DT Article DE Burkholderia pseudomallei; monoclonal antibody; type III secretion system; vaccine; diagnostic detection ID III SECRETION SYSTEM; SHIGELLA-FLEXNERI; HOST-CELLS; V ANTIGEN; MELIOIDOSIS; INVASION; INFECTION; DIAGNOSIS; IDENTIFICATION; PROTECTION AB Burkholderia pseudomallei is a biothreat agent and an important natural pathogen, causing melioidosis in humans and animals. A type III secretion system (TTSS-3) has been shown to be critical for virulence. Because TTSS components from other pathogens have been used successfully as diagnostic agents and as experimental vaccines, it was investigated whether this was the case for BipB, BipC and BipD, components of B. pseudomallei's TTSS-3. The sequences of BipB, BipC and BipD were found to be highly conserved among B. pseudomallei and B. mallei isolates. A collection of monoclonal antibodies (mAbs) specific for each Bip protein was obtained. Most recognized both native and denatured Bip protein. Burkholderia pseudomallei or B. mallei did not express detectable BipB or BipD under the growth conditions used. However, anti-BipD mAbs did recognize the TTSS needle structures of a Shigella strain engineered to express BipD. The authors did not find that BipB, BipC or BipD are protective antigens because vaccination of mice with any single protein did not result in protection against experimental melioidosis. Enzyme-linked immunosorbent assay (ELISA) studies showed that human melioidosis patients had antibodies to BipB and BipD. However, these ELISAs had low diagnostic accuracy in endemic regions, possibly due to previous patient exposure to B. pseudomallei. C1 [Druar, Chris; Yu, Fei; Beg, Steve; Soltes, Glenn; Ni, Sally X.; Stewart, Don I. H.; Tsvetnitsky, Vadim; Wiersma, Erik J.] Cangene Corp, Mississauga, ON, Canada. [Barnes, Jodie L.; Norton, Robert E.; Ketheesan, Natkunam] James Cook Univ N Queensland, Townsville, Qld 4811, Australia. [Okinaka, Richard T.; Jackson, Paul J.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM USA. [Chantratita, Narisara; Limmathurotsakul, Direk; Peacock, Sharon J.] Mahidol Univ, Bangkok 10700, Thailand. [Stratilo, Chad W.; Russell, Michelle L.; Cherwonogrodzky, John W.] DRDC Suffield, Medicine Hat, AB, Canada. [Olive, Andrew J.; Picking, William D.; Picking, Wendy L.] Univ Kansas, Dept Mol Biosci, Lawrence, KS 66045 USA. [Norton, Robert E.] Queensland Hlth Pathol Serv, Townsville, Qld, Australia. [Jackson, Paul J.] Lawrence Livermore Natl Lab, Host Pathogen Biol Grp, Livermore, CA USA. RP Wiersma, EJ (reprint author), 3403 Amer Dr, Mississauga, ON L4V 1T4, Canada. EM erikwiersma@sympatico.ca RI Ketheesan, Natkunam/D-8891-2013; OI Olive, Andrew/0000-0003-3441-3113 FU NIAID NIH HHS [AI034428, 1UO1AI056383-1, AI057927] NR 44 TC 37 Z9 40 U1 0 U2 1 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0928-8244 J9 FEMS IMMUNOL MED MIC JI FEMS Immunol. Med. Microbiol. PD JAN PY 2008 VL 52 IS 1 BP 78 EP 87 DI 10.1111/j.1574-695X.2007.00345.x PG 10 WC Immunology; Infectious Diseases; Microbiology SC Immunology; Infectious Diseases; Microbiology GA 250SQ UT WOS:000252321200009 PM 17995960 ER PT J AU Morosin, B Venturini, E Samara, G AF Morosin, Bruno Venturini, Eugene Samara, George TI Pressure-Induced Phase Transition in a La-Doped Lead Zirconate Titanate SO FERROELECTRICS LA English DT Article ID PEROVSKITES; CERAMICS AB Ceramic samples of Pb0.99La0.01(Zr0.91Ti0.09)O3 were studied by dielectric and time-of-flight neutron diffraction measurements at 300 and 250 K versus pressure. Isothermal dielectric data (300/250 K) suggest structural transitions with onsets near 0.35/0.37 GPa, respectively, for increasing pressure. On pressure release, only the 300K transition occurs (0.10 GPa; none indicated at 250 K). Diffraction data at 300 K show the sample has the R3c structure, remaining in that phase cooling to 250 K. Pressure increase (either 300 or 250 K) above 0.3 GPa yields a Pnma-like (AO) phase (two other prominent peaks in the spectra suggest a possible incommensurate cell). Temperature/pressure excursions show considerable phase hysteresis. C1 [Morosin, Bruno; Venturini, Eugene] Sandia Natl Labs, Albuquerque, NM 87185 USA. EM bmorosi@sandia.gov FU U. S. Department of Energy's National Nuclear Security Administration; Department of Energy [DE-AC04-94AL85000]; U. S. Department of Energy, Office of Science [W-31-109-ENG-38] FX The following are acknowledged: Pin Yang and Chris DiAntonio for samples and discussions; Bruce Tuttle for discussion and support; Mark Rodriguez and Ralph Tissot for discussions on computer issues; Maxim Avdeev for comments on related materials; Joe Fieramosca, Bob Von Dreele, and Ryoji Kiyanagi for data collection. The work at Sandia National Laboratories was supported by the U. S. Department of Energy's National Nuclear Security Administration. Sandia is operated by Sandia Corporation, a Lockheed Martin Company, for the Department of Energy under Contract DE-AC04-94AL85000. Data were collected at IPNS, Argonne National Laboratory, which is supported by the U. S. Department of Energy, Office of Science, Contract No. W-31-109-ENG-38. NR 14 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 0015-0193 EI 1563-5112 J9 FERROELECTRICS JI Ferroelectrics PY 2008 VL 377 BP 120 EP 136 AR PII 906985548 DI 10.1080/00150190802523735 PG 17 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA 385YO UT WOS:000261849700010 ER PT J AU Galinetto, P Casiraghi, A Mozzati, MC Azzoni, CB Norton, D Boatner, LA Trepakov, V AF Galinetto, P. Casiraghi, A. Mozzati, M. C. Azzoni, C. B. Norton, D. Boatner, L. A. Trepakov, V. TI Magnetic and Structural Studies in Co- and Mn-implanted SrTiO3 Single Crystals SO FERROELECTRICS LA English DT Article; Proceedings Paper CT 11th European Meeting on Ferroelectricity (EMF-2007) CY SEP 03-07, 2007 CL Bled, SLOVENIA ID ROOM-TEMPERATURE FERROMAGNETISM; THIN-FILMS; TITANIUM-DIOXIDE; SEMICONDUCTORS AB Micro Raman and static magnetization data on manganese or cobalt-implanted (at 3 or 5 at.%) strontium titanate (Mn,Co):SrTiO3 single crystals are presented. Micro Raman results reveal a cubic perovskite structure at 300 K with no evidence of any secondary phase. All samples show ferromagnetism both at 300 K and at 10 K. Moreover, micro Raman spectra at low temperature reveal the presence of polar ordering, which allow to consider the investigated materials as possible host matrices for multiferroic phenomena. Obtained results are discussed in connection to supplementary outcomes derived by content, optical absorption and electron paramagnetic resonance (EPR) measurements. C1 [Galinetto, P.; Casiraghi, A.; Mozzati, M. C.; Azzoni, C. B.] Univ Pavia, CNISM, I-27100 Pavia, Italy. [Galinetto, P.; Casiraghi, A.; Mozzati, M. C.; Azzoni, C. B.] Univ Pavia, Dipartimento Fis A Volta, I-27100 Pavia, Italy. [Norton, D.] Univ Florida, Dept Mat Sci & Engn, Gainesville, FL 32611 USA. [Boatner, L. A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Trepakov, V.] Acad Sci Czech Republic, Inst Phys, Prague 18221 8, Czech Republic. [Trepakov, V.] RAS, AF Ioffe Physicotech Inst, St Petersburg 194021, Russia. RP Galinetto, P (reprint author), Univ Pavia, CNISM, Via Palestro 3, I-27100 Pavia, Italy. EM galinetto@fisicavolta.unipv.it RI Trepakov, Vladimir/H-1352-2014; Boatner, Lynn/I-6428-2013 OI Boatner, Lynn/0000-0002-0235-7594 NR 18 TC 10 Z9 11 U1 0 U2 9 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0015-0193 J9 FERROELECTRICS JI Ferroelectrics PY 2008 VL 368 BP 358 EP 368 AR PII 905097601 DI 10.1080/00150190802368248 PG 11 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA 369EP UT WOS:000260677400016 ER PT J AU Bussmann-Holder, A Buttner, H Bishop, AR AF Bussmann-Holder, A. Buettner, H. Bishop, A. R. TI Coexistence of polar order and local domain dynamics in ferroelectric perovskites: The case of (SrTiO3)-O-18 SO FERROELECTRICS LA English DT Article DE soft modes; local dynamics; isotope effects ID POLARIZABILITY; TRANSITION; TITANATE; ORIGIN AB Perovskite oxide ferroelectrics show classical soft mode behaviour typical for the onset of a homogeneous long-range polar state and a displacive phase transition. Besides these long wave length properties, local effects are observed by different probes which reveal that dynamical symmetry breaking already takes place far above the actual instability. It is shown here that displacive mean-field type dynamics can indeed coexist with local dynamical symmetry breaking which is typical for order-disorder driven phase transitions. C1 [Bussmann-Holder, A.] Max Planck Inst Solid State Res, D-70569 Stuttgart, Germany. [Buettner, H.] Univ Bayreuth, Lehrstuhl Theoret Phys, D-95540 Bayreuth, Germany. [Bishop, A. R.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Bussmann-Holder, A (reprint author), Max Planck Inst Solid State Res, Heisenbergstr 1, D-70569 Stuttgart, Germany. EM A.Bussmann-Holder@fkf.mpg.de NR 23 TC 1 Z9 1 U1 0 U2 3 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND SN 0015-0193 EI 1563-5112 J9 FERROELECTRICS JI Ferroelectrics PY 2008 VL 363 BP 73 EP 78 DI 10.1080/00150190802019296 PG 6 WC Materials Science, Multidisciplinary; Physics, Condensed Matter SC Materials Science; Physics GA 314WQ UT WOS:000256840300013 ER PT S AU Smith, A Do, B Schuster, R Collier, D AF Smith, Arlee Do, Binh Schuster, Rod Collier, David BE Broeng, J Headley, C TI Rate equation model of bulk optical damage of silica, and the influence of polishing on surface optical damage of silica SO FIBER LASERS V: TECHNOLOGY, SYSTEMS, AND APPLICATIONS SE PROCEEDINGS OF THE SOCIETY OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS (SPIE) LA English DT Proceedings Paper CT Conference on Fiber Lasers V CY JAN 21-24, 2008 CL San Jose, CA SP SPIE, IPG Photon ID LASER-INDUCED BREAKDOWN; DIELECTRICS; SIO2 AB Our objective is to understand the mechanism that generates catastrophic optical damage in pulsed fiber amplifiers. We measured optical damage thresholds of bulk fused silica at 1064 nm for 8 ns and 14 ps pulses. The 8 ns pulse is single longitudinal mode from a Q-switched laser, and the 14 ps pulse is from a Q-switched mode-lock laser. The beams in both cases are TEM00 mode, and they are focused to a 7.5 mu m spot inside a fused silica window. The pulse-to-pulse energy variations are 1% for 8 ns pulses and 5% for 14 ps pulses. Under these conditions optical damage is always accompanied by plasma formation at the focal spot; we found the damage threshold fluences are 3854 +/- 85 J/cm(2) for the 8 ns pulses and 25.4 +/- 1.0 J/cm(2) for the 14 ps pulses. These fluences are corrected for self focusing. Both damage thresholds are deterministic, in contrast to the claim often made in the literature that optical damage is statistical in the nanosecond range. The measured damage threshold fluences for 8 ns and 14 ps pulses do not fit a square root of pulse duration scaling rule. We interpret the damage in terms of plasma formation initiated by multiphoton ionization and amplified by an electron avalanche. The damage threshold irradiance can be matched with a simple rate equation model that includes multiphoton ionization, electron avalanche, and electron-hole recombination. The damage morphologies are dramatically different in the nanosecond and picosecond cases because of the large difference in deposited energy. However, both morphologies are reproducible from pulse to pulse. We also measured surface damage thresholds for silica windows polished by different methods. We find that cerium oxide polished surfaces damage at approximately 40% of the bulk threshold, with a large statistical spread. Surfaces prepared using an Al2O3 polish damaged between 50% and 100% of the bulk damage limit, with a substantial fraction at 100%. Surfaces polished using first the Al2O3 polish and then an SiO2 polish exhibit surface damage values equal to the bulk damage value at nearly every point. We also measured damage thresholds for different sized focal spots. Some earlier reports have claimed that damage thresholds depend strongly on the size of the focal spot, but we find the surface threshold is independent of the spot size. C1 [Smith, Arlee; Do, Binh] Sandia Natl Labs, Laser Remote Sensing Plasma Complex Syst Sci Dept, Albuquerque, NM 87185 USA. RP Smith, A (reprint author), Sandia Natl Labs, Laser Remote Sensing Plasma Complex Syst Sci Dept, POB 5800, Albuquerque, NM 87185 USA. NR 7 TC 1 Z9 1 U1 2 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 978-0-8194-7048-5 J9 P SOC PHOTO-OPT INS PY 2008 VL 6873 BP U118 EP U129 PG 12 WC Engineering, Electrical & Electronic; Nanoscience & Nanotechnology; Remote Sensing; Optics; Physics, Applied SC Engineering; Science & Technology - Other Topics; Remote Sensing; Optics; Physics GA BHQ78 UT WOS:000255547100025 ER PT B AU Babar, MA Northway, A Gorton, I Heuer, P Nguyen, T AF Babar, Muhammad Ali Northway, Andrew Gorton, Ian Heuer, Paul Nguyen, Thong BE Bustard, DW Sterritt, R TI Introducing tool support for managing architectural knowledge: An experience report SO FIFTEENTH IEEE INTERNATIONAL CONFERENCE AND WORKSHOPS ON THE ENGINEERING OF COMPUTER-BASED SYSTEMS, PROCEEDINGS LA English DT Proceedings Paper CT 15th IEEE International Conference and Workshop on Engineering of Computer-Based Systems CY MAR 31-APR 04, 2008 CL Belfast, NORTH IRELAND SP IEEE Comp Soc, TCECBS, Univ Ulster, Comp Sci Res Inst, Univ Ulster, Ctr Software Proc Technologies, Lero ID DESIGN; DECISIONS; PATTERNS AB Management of software architecture knowledge is vital for improving an organisation's architectural capabilities. Despite the recognition of the importance of capturing and reusing software architecture knowledge, there is currently no suitable support mechanism available. To address this issue, we have developed a conceptual framework for managing architecture design knowledge. A web-based knowledge management tool,. Process-based Architecture Knowledge Management Environment (PAKME), has been developed to support that framework. PAKME is being trialled to help systematise the architecture knowledge management and evaluation process of an industrial collaborator. This paper reports the objectives, logistics and initial findings of this project, Specifically we have deployed and used PAKME in an Australian Defence acquisition environment for evaluating architecture of a aircraft system. C1 [Babar, Muhammad Ali] Univ Limerick, Limerick, Ireland. [Northway, Andrew; Heuer, Paul; Nguyen, Thong] Air Operat Div Def Sci & Technol Org, Canberra, ACT, Australia. [Gorton, Ian] Pacific Northwest Natl Lab, Richland, WA 99354 USA. RP Babar, MA (reprint author), Univ Limerick, Limerick, Ireland. EM malibaba@lero.ie; andrew.northway@dsto.defence.gov.au; ian.gorton@pnl.gov; paul.heuer@dsto.defence.gov.au; thong.nguyen@dsto.defence.gov.au RI Gorton, Ian/A-8247-2009 FU Science Foundation Ireland [03/CE2/I303_1] FX The first and third authors were working with the National ICT Australia, when the reported work was carried out. Lero is supported by Science Foundation Ireland (under grant no. 03/CE2/I303_1). NR 28 TC 1 Z9 1 U1 0 U2 0 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA BN 978-0-7695-3141-0 PY 2008 BP 105 EP + DI 10.1109/ECBS.2008.27 PG 3 WC Computer Science, Hardware & Architecture; Computer Science, Information Systems; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BHQ56 UT WOS:000255505000011 ER PT S AU Turk, MJ Abel, T O'Shea, BW AF Turk, Matthew J. Abel, Tom O'Shea, Bfian W. BE O'Shea, BW Heger, A Abel, T TI Towards forming a primordial protostar in a cosmological AMR simulation SO FIRST STARS III SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on First Stars III CY JUL 15-20, 2007 CL Santa Fe, NM SP Los Alamos Natl Lab, New Mexico Consortium Inst Adv Study, Kavli Inst Particle Astrophys & Cosmol, Joint Inst Nucl Astrophys DE population III stars; star formation ID CDM UNIVERSE; STARS; HD AB Modeling the formation of the first stars in the universe is a well-posed problem and ideally suited for computational investigation. We have conducted high-resolution numerical studies of the formation of primordial stars. Beginning with primordial initial conditions appropriate for a ACDM model, we used the Eulerian adaptive mesh refinement code (Enzo) to achieve unprecedented numerical resolution, resolving cosmological scales as well as sub-stellar scales simultaneously. Building on the work of Abel, Bryan and Norman (2002), we followed the evolution of the first collapsing cloud until molecular hydrogen is optically thick to cooling radiation. In addition, the calculations account for the process of collision-induced emission (CIE) and add approximations to the optical depth in both molecular hydrogen roto-vibrational cooling and CIE. Also considered are the effects of chemical heating/cooling from the formation/destruction of molecular hydrogen. We present the results of these simulations, showing the formation of a 10 Jupiter-mass protostellar core bounded by a strongly aspherical accretion shock. Accretion rates are found to be as high as one solar mass per year. C1 [Turk, Matthew J.; Abel, Tom] Stanford Univ, KIPAC, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA. [O'Shea, Bfian W.] Los Alamos Neutron Scattering Ctr, T 6, MS B227, Los Alamos, NM 87545 USA. RP Turk, MJ (reprint author), Stanford Univ, KIPAC, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA. FU US Department of Energy [DEAC52-06NA25396]; DOE LDRD [20051325PRD4, 20050031DR]; NSF CAREER [AST-0239709]; National Science Foundation FX We thank Stuart Marshall and the SLAC HPC Computing Team for their support. These simulations were carried out on red, an SGI Altix located at SLAC. This work was carried out in part by MJT and BWO under the auspices of the National Nuclear Security Administration of the US Department of Energy at Los Alamos National Laboratory under Contract No. DEAC52-06NA25396 and was supported by DOE LDRD grants 20051325PRD4 and 20050031DR, with further support from a NSF CAREER award AST-0239709 from the National Science Foundation. Additionally, we would like to thank Greg Bryan, Simon Glover, Mike Norman, Emanuele Ripamonti, Didier Saumon, Britton Smith, and John Wise for helpful discussions. NR 17 TC 7 Z9 7 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 978-0-7354-0509-7 J9 AIP CONF PROC PY 2008 VL 990 BP 16 EP + PG 2 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BHN31 UT WOS:000254472200002 ER PT S AU Xu, H Collins, DC Norman, ML Li, S Li, H AF Xu, Hao Collins, David C. Norman, Michael L. Li, Shengtai Li, Hui BE O'Shea, BW Heger, A Abel, T TI A cosmological AMR MHD module for Enzo SO FIRST STARS III SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on First Stars III CY JUL 15-20, 2007 CL Santa Fe, NM SP Los Alamos Natl Lab, New Mexico Consortium Inst Adv Study, Kavli Inst Particle Astrophys & Cosmol, Joint Inst Nucl Astrophys DE cosmology : theory; magnetohydrodynamics; methods : numerical ID MAGNETIC TOWER JETS; STAR; HYDRODYNAMICS; UNIVERSE; FIELDS AB Magnetic fields play an important role in almost all astrophysical phenomena, including star formation. Due to the difficulty of analytic modeling and observations, magnetic fields are still poorly studied, and numerical simulation has become a major tool. We have implemented a cosmological magnetohydrodynamics package for Enzo, an AMR hydrodynamics code designed to simulate structure formation. We use the TVD solver developed by S. Li as the base solver. In addition, we employ the constrained transport (CT) algorithm as described by D. Balsara. For interpolating magnetic fields to fine grids we used a divergence free quadratic reconstruction, also described by Balsara. We present results from several test problems including MHD caustics, MHD pancakes, and galaxy cluster formation with magnetic fields. We also discuss possible applications of our AMR MHD code to first star research. C1 [Xu, Hao; Collins, David C.; Norman, Michael L.] Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. [Xu, Hao; Collins, David C.; Norman, Michael L.] Univ Calif San Diego, CASS, La Jolla, CA 92093 USA. [Xu, Hao; Li, Hui] Los Alamos Natl Lab, Theoret Astrophys, Los Alamos, NM USA. [Li, Shengtai] Los Alamos Natl Lab, Math Modeling & Anal, Los Alamos, NM USA. RP Xu, H (reprint author), Univ Calif San Diego, Dept Phys, La Jolla, CA 92093 USA. RI Xu, Hao/B-8734-2014 OI Xu, Hao/0000-0003-4084-9925 FU IGPP at Los Alamos National Laboratory. FX This research was supported by IGPP at Los Alamos National Laboratory. NR 15 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 978-0-7354-0509-7 J9 AIP CONF PROC PY 2008 VL 990 BP 36 EP + PG 2 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BHN31 UT WOS:000254472200007 ER PT S AU Smith, B Sigurdsson, S O'Shea, B Norman, M AF Smith, Britton Sigurdsson, Steinn O'Shea, Brian Norman, Michael BE O'Shea, BW Heger, A Abel, T TI The role of the first metals in forming the second stars SO FIRST STARS III SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on First Stars III CY JUL 15-20, 2007 CL Santa Fe, NM SP Los Alamos Natl Lab, New Mexico Consortium Inst Adv Study, Kavli Inst Particle Astrophys & Cosmol, Joint Inst Nucl Astrophys DE star formation ID CDM UNIVERSE; FRAGMENTATION; METALLICITY; CLOUDS; GAS AB Numerical simulations of the formation of pop III stars suggest that they were much more massive than the pop II and pop I stars observed today. This is due to the collapse dynamics of metal-free gas, which is regulated by the radiative cooling properties of molecular hydrogen. We study how the collapse of gas-clouds is altered by the addition of metals to the star-forming environment. We perform a series of numerical simulations of pre-enriched star-formation at various metallicitics using the adaptive mesh refinement, hydrodynamic + N-body code, Enzo. For metallicities below the critical metallicity, Z(cr), collapse proceeds nearly identical to the metal-free case, and only massive, singular objects form. For metallicities well above Z(cr), efficient cooling rapidly lowers the gas temperature to the temperature of the cosmic microwave background (CMB), which is significantly higher in the distant past. The gas is physically unable to radiatively cool below the CUB temperature, and thus, becomes very thermally stable. For moderately high metallicities, Z >= 10(-3.5) Z(circle dot), this occurs early in the evolution of the gas-cloud, when the central density is still relatively low. The resulting cloud-cores show little or no fragmentation, and have mass-scales of a few hundred M-circle dot On the other hand, if the metallicity is only slightly above Z(cr), the cloud slowly cools without ever reaching the CUB temperature. In this case, the minimum cloud temperature is achieved at much higher densities than in the high-metallicity case, resulting in mass-scales of just a few M-circle dot. C1 [Smith, Britton; Sigurdsson, Steinn] Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. [O'Shea, Brian] Los Alamos Natl Lab, Los Alamos, NM USA. [Norman, Michael] Univ Calif San Diego, Ctr Astrophy & Space Sci, La Jolla, CA 92093 USA. RP Smith, B (reprint author), Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. OI Sigurdsson, Steinn/0000-0002-8187-1144 FU Hubble Space Telescope Theory [HST-AR-10978.01] FX We thank Jason Tumlinson for useful discussions. Computer resources were provided by the San Diego Supercomputer Center This research was supported by Hubble Space Telescope Theory Grant HST-AR-10978.01. NR 15 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 978-0-7354-0509-7 J9 AIP CONF PROC PY 2008 VL 990 BP 73 EP + PG 2 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BHN31 UT WOS:000254472200013 ER PT S AU Krugler, JA Beers, TC Lee, YS Sivarani, T Marsteller, B Wilhelm, R Prieto, CA Frebel, A Norris, JE Johnson, J Ivans, I Yanny, B Rockosi, C Morrison, H Newberg, HJ Knapp, J AF Krugler, Julie A. Beers, T. C. Lee, Y. S. Sivarani, T. Marsteller, B. Wilhelm, R. Prieto, C. Allende Frebel, A. Norris, J. E. Johnson, J. Ivans, I. Yanny, B. Rockosi, C. Morrison, H. Newberg, H. J. Knapp, J. BE O'Shea, BW Heger, A Abel, T TI Revised parameter estimates for the most metal-poor candidates in SDSS-I and SEGUE SO FIRST STARS III SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on First Stars III CY JUL 15-20, 2007 CL Santa Fe, NM SP Los Alamos Natl Lab, New Mexico Consortium Inst Adv Study, Kavli Inst Particle Astrophys & Cosmol, Joint Inst Nucl Astrophys DE milky Way; galactic halo; metal-poor stars; wide-angle spectroscopic surveys AB There are several hundred thousand R = 2000 stellar spectra reported in the final public release of the Sloan Digital Sky Survey (SDSS-I) and the continuing project SEGUE (Sloan Extension for Galactic Exploration and Understanding), which has completed roughly half of its scheduled set of observations to date. The stars in this sample were targeted for a wide variety of reasons, and hence do not represent a sample from which an unbiased metallicity distribution function (MDF) of stars in the halo or thick-disk populations may be drawn. However, there exist over 6500 stars with estimated metallicities [Fe/H] < -2.0 and effective temperatures in the range 4500 K < T-eff < 7000 K among this sample, based on application of the SDSS/SEGUE spectroscopic parameter analysis pipeline. We have continued to refine estimates of the stellar parameters for these stars, using an automated synthetic spectrum approach, autoMOOG. This technique produces estimates of [Fe/H] as well as [C/Fe] (or upper limits on these quantities) based on MOOG syntheses of the region of spectrum around the CaII K line and the CH G band, respectively. This sample represents, by a factor of more than three, the largest database of very metal-poor stars yet assembled. A least 1000 of these stars have g < 16.5, and hence are amenable to high-resolution spectroscopic studies with presently available large-aperture telescopes. C1 [Krugler, Julie A.; Beers, T. C.; Lee, Y. S.; Sivarani, T.; Marsteller, B.] Michigan State Univ, Dept Phys & Astron, CSCE, E Lansing, MI 48824 USA. [Wilhelm, R.] Texas Tech Univ, Dept Phys, Lubbock, TX 79409 USA. [Prieto, C. Allende; Frebel, A.] Univ Texas Austin, Dept Astron, Austin, TX 78712 USA. [Norris, J. E.] Australian Natl Univ, Res Sch Astron & Astrophys, Weston, ACT, Australia. [Johnson, J.] Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. [Ivans, I.] Observ Carnegie Inst Washington, Pasadena, CA 91101 USA. [Ivans, I.; Knapp, J.] Princeton Univ Observ, Princeton, NJ 08544 USA. [Yanny, B.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Rockosi, C.] Univ Calif Santa Cruz, Lick Observ, Santa Cruz, CA 95064 USA. [Morrison, H.] Case Western Reserve Univ, Dept Astron, Cleveland, OH 44106 USA. [Newberg, H. J.] Rensselaer Polytech Inst, Dept Phys Astron, Troy, NY 12180 USA. RP Krugler, JA (reprint author), Michigan State Univ, Dept Phys & Astron, CSCE, E Lansing, MI 48824 USA. FU Alfred P. Sloan Foundation; National Science Foundation; U.S. Department of Energy; National Aeronautics and Space Administration; Japanese Monbukagakusho; Max Planck Society; Higher Education Funding Council for England; AST [04-06784, 07-07776]; PHY [02-16783]; Physics Frontier Centers/JINA: Joint Institute for Nuclear Astrophysics; U.S. National Science Foundation FX Funding for the SDSS and SDSS-II has been provided by the Alfred P. Sloan Foundation, the Participating Institutions, the National Science Foundation, the U.S. 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 Kavh 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. J. .A.K., T. C. B, Y. S. L., T S., and B. M. acknowledge support from grants AST 04-06784, AST 07-07776, and PHY 02-16783, Physics Frontier Centers/JINA: Joint Institute for Nuclear Astrophysics, awarded by the U.S. National Science Foundation. 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 978-0-7354-0509-7 J9 AIP CONF PROC PY 2008 VL 990 BP 151 EP + PG 2 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BHN31 UT WOS:000254472200030 ER PT S AU Onifer, AJ AF Onifer, A. J. BE O'Shea, BW Heger, A Abel, T TI Population III Wolf-Rayet stars in the CAK regime SO FIRST STARS III SE AIP CONFERENCE PROCEEDINGS LA English DT Proceedings Paper CT International Conference on First Stars III CY JUL 15-20, 2007 CL Santa Fe, NM SP Los Alamos Natl Lab, New Mexico Consortium Inst Adv Study, Kavli Inst Particle Astrophys & Cosmol, Joint Inst Nucl Astrophys DE Wolf-Rayet stars; stellar winds; mass loss; radiative transfer; population III stars ID WINDS; OPACITY AB Wolf-Rayet (WR) stars near solar metallicity are believed to be driven by radiation pressure on the LTV spectral lines of metal ions. As the metallicity decreases so does the line opacity, therefore the mass-loss rate. However, since the composition of a WR atmosphere is determined by the burn products of the core, there is a lower limit on the line opacity and therefore the mass-loss rate - of a WR star, even in a star with zero initial metallicity. This presentation is the result of attempt to calculate the mass-loss rate of a Population III-type WO star using a modified version of the CAK approximation. We find that n(e) >= 10(13) cm(-3) and 0.5 <= Gamma <= 0.7 give the most plausible results, with the resulting mass-loss rate between 2 x 10(-9) M center dot yr(-1) and 3 x 10(-8) M center dot yr(-1). C1 Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Onifer, AJ (reprint author), Los Alamos Natl Lab, POB 1663,MS T087, Los Alamos, NM 87544 USA. NR 11 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 978-0-7354-0509-7 J9 AIP CONF PROC PY 2008 VL 990 BP 247 EP 249 PG 3 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BHN31 UT WOS:000254472200057 ER PT S AU Joggerst, CC Heger, A Woosley, SE AF Joggerst, Candace Church Heger, Alexander Woosley, Stanford E. BE O'Shea, BW Heger, A Abel, T TI Multidimensional simulations of mixing in zero- and solar-metallicity SNe SO FIRST STARS III SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on First Stars III CY JUL 15-20, 2007 CL Santa Fe, NM SP Los Alamos Natl Lab, New Mexico Consortium Inst Adv Study, Kavli Inst Particle Astrophys & Cosmol, Joint Inst Nucl Astrophys DE supernovae; hydrodynamics ID MASSIVE STARS; CODE; HYDRODYNAMICS; EVOLUTION; FLASH AB We present multidimensional simulations of zero- and solar-metallicity stars in the last stages of their lives and estimate their resulting nucleosynthetic output. When primordial stars with masses less than about 100 solar masses explode as supernovae, some portion of the star falls back onto the black hole, while the rest escapes to enrich the next generation of stars. The composition of the escaped gas depends on processes that cannot be adequately modeled in one dimension. Multidimensional simulations are needed to capture the inherently asymmetric processes that enrich the outer layers of the star and determine its final yield. We investigate the effects of Rayleigh-Taylor-induced mixing and asymmetries in the explosion on the final composition of the escaped gas. For spherically symmetric explosions, we find that Rayleigh-Taylor-induced mixing has little effect on the shells interior to oxygen, and so very little material interior to the oxygen shell goes on to enrich the interstellar medium. Some asymmetry in the explosion is needed in order for elements interior to oxygen to escape from the star in significant amounts. C1 [Joggerst, Candace Church; Woosley, Stanford E.] Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95060 USA. [Heger, Alexander] Los Alamos Natl Lab, Theoret Astrophys T6, Los Alamos, NM 87545 USA. RP Joggerst, CC (reprint author), Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95060 USA. FU DOE Program for Sci-entific Discovery through Advanced Computing [DE-FC02-01ER41176]; ASC/Alliance center for Astrophysical Thermonuclear Flashes at the University of Chicago FX This work was supporter by the DOE Program for Sci-entific Discovery through Advanced Computing (Sci-DAC ; DE-FC02-01ER41176) . The software used in this work was in part developed by the DOE-supported ASC/Alliance center for Astrophysical Thermonuclear Flashes at the University of Chicago. NR 13 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 978-0-7354-0509-7 J9 AIP CONF PROC PY 2008 VL 990 BP 257 EP + PG 2 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BHN31 UT WOS:000254472200060 ER PT S AU Kasen, D Heger, A Woosley, S AF Kasen, Daniel Heger, Alex Woosley, Stan BE O'Shea, BW Heger, A Abel, T TI The first stellar explosions: Theoretical light curves and spectra of pair-instability supernovae SO FIRST STARS III SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on First Stars III CY JUL 15-20, 2007 CL Santa Fe, NM SP Los Alamos Natl Lab, New Mexico Consortium Inst Adv Study, Kavli Inst Particle Astrophys & Cosmol, Joint Inst Nucl Astrophys DE supernovae; radiative transfer; population III ID POPULATION III; STARS; FRAGMENTATION AB The first generation of stars likely consisted of massive objects (M > 100 M center dot) which suffered minimal mass loss, setting the stage for an impressive first generation of stellar explosions. For the initial mass range (140 < M < 260 M center dot) stars die in a thermonuclear runaway triggered by the pair production instability. Such supernova events can be remarkably energetic (similar to 10(53) ergs) and some may synthesize considerable amounts of radioactive isotopes (similar to 50 M center dot of Ni-56). We have calculated broadband light curves and spectral time-series for a number of pair-instability supernova models, spanning a range of initial masses and degrees of mass loss. Here we briefly discuss the observable properties and potential detectability of a few representative models. C1 [Kasen, Daniel] Johns Hopkins Univ, Baltimore, MD 21218 USA. [Kasen, Daniel] Space Telescope Sci Inst, Baltimore, MD 21218 USA. [Kasen, Daniel; Heger, Alex; Woosley, Stan] Univ Calif Santa Cruz, Dept Phys & Astron, Santa Cruz, CA 95064 USA. [Heger, Alex] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Kasen, D (reprint author), Johns Hopkins Univ, Baltimore, MD 21218 USA. FU JHU/STScl; NASA through Hubble [HST-HF-01208.01-A]; Space Telescope Science Institute; Association of Universities for Research in Astronomy , Inc., for NASA [NAS5-26555]; DOE SciDAC [DE FC02-0641438]; LLNL on the ATLA S machine; ORNL through an INCITE; NERSC FX DNK received support from the Alan C. Davis fellowship at JHU/STScl and from NASA through Hubble Fellow-ship grant HST-HF-01208.01-A awarded by the Space Telescope Science Institute , which is operated by the Association of Universities for Research in Astronomy , Inc., for NASA , under contract NAS5-26555. Support for this work was provided by the DOE SciDAC Program under grant DE FC02-0641438 . We are grateful for com - puter time provided by LLNL on the ATLA S machine, by ORNL through an INCITE award, and by NERSC . NR 15 TC 5 Z9 5 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 978-0-7354-0509-7 J9 AIP CONF PROC PY 2008 VL 990 BP 263 EP + PG 2 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BHN31 UT WOS:000254472200062 ER PT S AU Surman, R McLaughlin, GC Sabbatino, N Hix, WR AF Surman, R. McLaughlin, G. C. Sabbatino, N. Hix, W. R. BE O'Shea, BW Heger, A Abel, T TI Nucleosynthesis in outflows from Kerr black hole accretion disks SO FIRST STARS III SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on First Stars III CY JUL 15-20, 2007 CL Santa Fe, NM SP Los Alamos Natl Lab, New Mexico Consortium Inst Adv Study, Kavli Inst Particle Astrophys & Cosmol, Joint Inst Nucl Astrophys DE accretion disks; gamma-ray bursts; nucleosynthesis ID GAMMA-RAY BURSTS; EXPLOSIVE NUCLEOSYNTHESIS; PROGENITORS; HYPERNOVAE; JET; SUPERNOVAE; COLLAPSARS; NEUTRINOS AB Observational evidence suggests long-duration, collapsar-type gamma-ray bursts (GRBs) may have been more common in the early universe. These events are thought to be powered by accretion disks around black holes (AD-BHs). While GRBs require AD-BHs, not all AD-BHs will power bursts and therefore their formation will be more common than GRBs themselves. Outflows from AD-BHs may therefore be important contributors to the nuclear abundances in the oldest stars, particularly for rare species or those not uniformly observed. Here we consider the nucleosynthesis in this environment starting with relativistic disk models of Kerr black holes and following the element synthesis in a parameterized outflow. We present nucleosynthesis results from a range of AD-BH models. C1 [Surman, R.; Sabbatino, N.] Union Coll, Dept Phys & Astron, Schenectady, NY 12308 USA. [McLaughlin, G. C.] North Carolina State Univ, Dept Phys, Raleigh, NC 27695 USA. [Hix, W. R.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37830 USA. RP Surman, R (reprint author), Union Coll, Dept Phys & Astron, Schenectady, NY 12308 USA. RI Hix, William/E-7896-2011 OI Hix, William/0000-0002-9481-9126 FU Department of Energy [DE-FG05-05ER41398, DE-FG02-02ER41216] FX This work was partially supported by the Department of Energy under contracts DE-FG05-05ER41398 (RS) and DE-FG02-02ER41216 (GCM) . NR 29 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 978-0-7354-0509-7 J9 AIP CONF PROC PY 2008 VL 990 BP 297 EP + PG 2 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BHN31 UT WOS:000254472200068 ER PT S AU Woodward, P Herwig, F Porter, D Fuchs, T Nowatzki, A Pignatari, M AF Woodward, Paul Herwig, Falk Porter, David Fuchs, Tyler Nowatzki, Anthony Pignatari, Marco BE O'Shea, BW Heger, A Abel, T TI Nuclear burning and mixing in the first stars: Entrainment at a convective boundary using the PPB advection scheme SO FIRST STARS III SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on First Stars III CY JUL 15-20, 2007 CL Santa Fe, NM SP Los Alamos Natl Lab, New Mexico Consortium Inst Adv Study, Kavli Inst Particle Astrophys & Cosmol, Joint Inst Nucl Astrophys DE first stars : nucleosynthesis; mixing; hydrodynamics ID METAL-POOR STARS; GIANT BRANCH STARS; INTERMEDIATE-MASS STARS; AGB STARS; S-PROCESS; STELLAR EVOLUTION; DREDGE-UP; LOW-METALLICITY; POPULATION-III; HELIUM FLASH AB The evolution of the first generations of stars at zero or extremly low metallicity, and especially some crucial properties like the primary N-14 production, is charactarized by convective-reactive mixing events that are mostly absent from similar evolution phases at solar-like metallicity. These episodes occur when unprocessed H-rich material is mixed accross a convective boundary into (12)Crich He-burning material, as for example in He-shell flashes of extremely-low metallicity AGB stars. In this paper, we describe the astrophysical context of such convective-reactive events, including the difficulty of current one-dimensional stellar evolution models to correctly simulate these evolutionary phases. We then describe the requirements and current state of modeling convective-reactive processes in the first stars environment. We demonstrate some of the new concepts that we are applying to this problem, i.e. the highly accurate PPB advection scheme in the framework of PPM hydrodynamic simulations of mixing across a very stiff convective boundary. We show initial results of such simulations that address the first non-reactive step of this problem, which is the entrainment of H at the top boundary of the He-shell flash convection zone. C1 [Woodward, Paul; Porter, David; Fuchs, Tyler; Nowatzki, Anthony] Univ Minnesota, Lab Computat Sci & Engn, Minneapolis, MN 55455 USA. [Herwig, Falk; Pignatari, Marco] Keele Univ, Sch Phys & Geograph Sci, Astrophys Grp, Keele, Staffs, England. [Herwig, Falk] Los Alamos Natl Lab, T Div, Los Alamos, NM USA. RP Woodward, P (reprint author), Univ Minnesota, Lab Computat Sci & Engn, Minneapolis, MN 55455 USA. OI Pignatari, Marco/0000-0002-9048-6010 FU University of Minnesota [DE-FG02-03ER25569]; DoE Office of Science; NSF [CNS-0224424, CNS-0421423]; Minnesota Supercomputing Institute; University of Minnesota's Digital Technology Center; EU Marie Curie [MIRG-CT-2006-046520] FX The work reported here has been supported at the University of Minnesota by grant DE-FG02-03ER25569 from the MICS program of the DoE Office of Science, by NSF equipment grants CNS-0224424 and CNS-0421423, and by the Minnesota Supercomputing Institute, a part of the University of Minnesotas Digital Technology Center. Funding for this work was also provided through EU Marie Curie grant MIRG-CT-2006-046520. FH is Affiliate of the Theoretical Astrophysics Group in TDivision at LANL, and acknowledges continued collaborative support. We would like to thank Raphael Hirschi for extremely useful discussions. Brian OShea and the other organizers of the FSIII meeting have to be thanked for their enourmous flexibility to deal with various lastminute issues we imposed on them. NR 53 TC 18 Z9 18 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 978-0-7354-0509-7 J9 AIP CONF PROC PY 2008 VL 990 BP 300 EP + PG 2 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BHN31 UT WOS:000254472200069 ER PT S AU Farouqi, K Kratz, KL Cowan, JJ Mashonkina, LI Pfeiffer, B Sneden, C Thielemann, FK Truran, JW AF Farouqi, K. Kratz, K. -L. Cowan, J. J. Mashonkina, L. I. Pfeiffer, B. Sneden, C. Thielemann, F. -K. Truran, J. W. BE O'Shea, BW Heger, A Abel, T TI Nucleosynthesis modes in the high-entropy-wind scenario of type II supernovae SO FIRST STARS III SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on First Stars III CY JUL 15-20, 2007 CL Santa Fe, NM SP Los Alamos Natl Lab, New Mexico Consortium Inst Adv Study, Kavli Inst Particle Astrophys & Cosmol, Joint Inst Nucl Astrophys DE r-process nucleosynthesis; low metallicity stars; core collapse supernovae ID NEUTRINO-DRIVEN WINDS; R-PROCESS NUCLEOSYNTHESIS; NUCLEAR-PHYSICS; STARS; ELEMENTS; ABUNDANCES; TEMPERATURES; STABILITY; CAPTURE; EJECTA AB In an attempt to constrain the astrophysical conditions for the nucleosynthesis of the classical r-process elements beyond Fe, we have performed large-scale dynamical network calculations within the model of an adiabatically expanding high-entropy wind (HEW) of type II supernovae (SN II). A superposition of several entropy-components (S) with model-inherent weightings results in an excellent reproduction of the overall Solar System (SS) isotopic r-process residuals (Nr,center dot), as well as the more recent observations of elemental abundances of metal-poor, r-process rich halo stars in the early Galaxy. For the heavy r-process elements beyond Sn, our HEW model predicts a robust abundance pattern up to the Th, U r-chronometer region. For the lighter neutron-capture region, an S-dependent superposition of (i) a normal alpha-component directly producing stable nuclei, including s-only isotopes, and (ii) a component from a neutron-rich alpha-freezeout followed by the rapid recapture of beta-delayed neutrons (beta dn) emitted from the far-unstable seed nuclei is indicated. In agreement with several recent halostar observations in the 60 < A < 110 region, our HEW model confirms a Z-dependent non-correlation, respectively partial correlation with the heavier "main" r-process elements. C1 [Farouqi, K.; Kratz, K. -L.; Pfeiffer, B.] HGF Virtuelles Inst Struktur Kerne & Nukl Astroph, D-55128 Mainz, Germany. [Farouqi, K.; Truran, J. W.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Kratz, K. -L.] Max Planck Inst Chem, D-55128 Mainz, Germany. [Cowan, J. J.] Univ Oklahoma, Homer L Dodge Dept Phys & Astron, Norman, OK 73019 USA. [Mashonkina, L. I.] Russian Acad Sci, Astron Inst, Moscow 119017, Russia. [Sneden, C.] Univ Texas Austin, Depat Astron & McDonald Observ, Austin, TX 78712 USA. [Thielemann, F. -K.] Univ Basel, Dept Phys Astron, CH-4056 Basel, Switzerland. [Truran, J. W.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Farouqi, K (reprint author), HGF Virtuelles Inst Struktur Kerne & Nukl Astroph, D-55128 Mainz, Germany. FU National Science Foundation [AST 07-07447, AST-0607708]; Physics Frontier Center (JINA) [PHY 02-16783]; DOE [B341495]; Deutscfie Forschungsgemeinschaft (DFG) [KR 806/13-1]; Helmholtz Gemeinschaft [VH-VI-061] FX This work has been supported in part by the National Science Foundation under grants AST 07-07447 (J.J.C), AST-0607708 (C.S.), and the Physics Frontier Center (JINA) PHY 02-16783 (J. W.T.), and the DOE under contract B341495 (J.W.T.). Support was also provided by the Deutscfie Forschungsgemeinschaft (DFG) under contract KR 806/13-1, and the Helmholtz Gemeinschaft under grant VH-VI-061. The authors thank Roberto Gallino for helpful discussions. NR 32 TC 10 Z9 11 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 978-0-7354-0509-7 J9 AIP CONF PROC PY 2008 VL 990 BP 309 EP + PG 2 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BHN31 UT WOS:000254472200070 ER PT S AU Whalen, D O'Shea, BW Smidt, J Norman, ML AF Whalen, Daniel O'Shea, Brian W. Smidt, Joseph Norman, Michael L. BE O'Shea, BW Heger, A Abel, T TI Photoionization of clustered halos by the first stars SO FIRST STARS III SE AIP Conference Proceedings LA English DT Proceedings Paper CT International Conference on First Stars III CY JUL 15-20, 2007 CL Santa Fe, NM SP Los Alamos Natl Lab, New Mexico Consortium Inst Adv Study, Kavli Inst Particle Astrophys & Cosmol, Joint Inst Nucl Astrophys DE stars : formation; HII regions; large-scale structure of the universe ID PRIMORDIAL STAR; HII REGION; FEEDBACK; PHOTODISSOCIATION; IONIZATION; CHEMISTRY; REDSHIFT; UNIVERSE AB We present numerical simulations of the photoevaporation of cosmological halos clustered around a 120 M-circle dot primordial star, confining our study to structures capable of hosting Population III star formation. The calculations include self-consistent multifrequency conservative transfer of UV photons together with nine-species primordial chemistry and all relevant radiative processes. The ultimate fates of these halos varies with central density and proximity to the central source but generally fall into one of four categories. Diffuse halos with central densities below 2 - 3 cm(-3) are completely ionized and evaporated by the central star anywhere in the cluster. More evolved halo cores at densities above 2000 cm(-3) are impervious to both ionizing and Lyman-Werner flux at most distances from the star and collapse of their cores proceeds without delay. Radiative feedback in halos of intermediate density can be either positive or negative, depending on how the I-front remnant shock both compresses and deforms the core and enriches it with H-2. We find that the 120 M-circle dot star photodissociates H-2 in most halos within the cluster but that catalysis by H- rapidly restores molecular hydrogen within a few hundred Kyr after the death of the star, with little delay in star formation. Our models exhibit significant departures from previous one-dimensional spherically-symmetric simulations, which are prone to serious errors due to unphysical geometric focusing effects. C1 [Whalen, Daniel] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. [O'Shea, Brian W.] Los Alamos Natl Lab, Theoret Astrophys T 6, POB 1663, Los Alamos, NM 87545 USA. [Smidt, Joseph] Brigham Young Univ, Dept Phys & Astron, Provo, UT 84602 USA. [Norman, Michael L.] Univ Calif San Diego, Ctr Astrophys & Space Sci, La Jolla, CA 92093 USA. RP Whalen, D (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. FU U.S.Department of Energyat Los Alamos National Laboratory [DE-AC52-06NA25396]; NCSA under NRAC [MCA98N020] FX DW thanks Tom Abel, Kyungjin Ahn, Greg Bryan and Alex Heger for helpful discussions concerning these simulations.This work was carried out under the auspices of the National Nuclear Security Administration of the U.S.Department of Energyat Los Alamos National Laboratory under Contract No. DE-AC52-06NA25396.The simulations were performed at SDSC and NCSA under NRAC allocation MCA98N020 and at Los Alamos National Laboratory. NR 20 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 978-0-7354-0509-7 J9 AIP CONF PROC PY 2008 VL 990 BP 381 EP + PG 2 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BHN31 UT WOS:000254472200085 ER PT S AU Reed, D AF Reed, Darren BE O'Shea, BW Heger, A Abel, T TI Halo and galaxy clustering in the early universe SO FIRST STARS III SE AIP CONFERENCE PROCEEDINGS LA English DT Proceedings Paper CT International Conference on First Stars III CY JUL 15-20, 2007 CL Santa Fe, NM SP Los Alamos Natl Lab, New Mexico Consortium Inst Adv Study, Kavli Inst Particle Astrophys & Cosmol, Joint Inst Nucl Astrophys DE Population III stars; halo clustering ID DARK-MATTER HALOES; SCALE; MODEL AB Using an array of dark matter simulations, we explore the clustering properties of high redshift halos, including those large enough to host stars or galaxies. The simulations resolve down to the "mini-halo" mass scale at redshifts as high as 30, thus encompassing the expected full mass range of halos capable of hosting luminous objects and sources of reionization. Results are compared with analytical expectations, and implications for reionization are discussed. C1 Los Alamos Natl Lab, Theoret Astrophys Grp, Los Alamos, NM 87545 USA. RP Reed, D (reprint author), Los Alamos Natl Lab, Theoret Astrophys Grp, POB 1663, Los Alamos, NM 87545 USA. NR 11 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 978-0-7354-0509-7 J9 AIP CONF PROC PY 2008 VL 990 BP 467 EP 469 PG 3 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BHN31 UT WOS:000254472200105 ER PT J AU Coutant, C AF Coutant, Chuck TI Thermal workshop revives interest in water temperatures SO FISHERIES LA English DT Editorial Material C1 [Coutant, Chuck] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. EM ccoutant3@comcast.net NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER FISHERIES SOC PI BETHESDA PA 5410 GROSVENOR LANE SUITE 110, BETHESDA, MD 20814-2199 USA SN 0363-2415 J9 FISHERIES JI Fisheries PD JAN PY 2008 VL 33 IS 1 BP 29 EP 30 PG 2 WC Fisheries SC Fisheries GA 271XA UT WOS:000253820800007 ER PT B AU Okhuysen, BS Riahi, DN AF Okhuysen, B. S. Riahi, D. N. BE Sohrab, SH Catrakis, HJ Kobasko, N Necasova, S Markatos, N TI On Compositional Convection in Mushy Layers with Permeable Interface SO FMA'08: PROCEEDINGS OF THE 6TH IASME/WSEAS INTERNATIONAL CONFERENCE ON FLUID MECHANICS AND AERODYNAMICS: NEW ASPECTS OF FLUID MECHANICS AND AERODYNAMICS SE WSEAS Mechanical Engineering Series LA English DT Proceedings Paper CT 6th IASME/WSEAS International Conference on Fluid Mechanics and Aerodynamics CY AUG 20-22, 2008 CL Rhodes, GREECE SP IASME, WSEAS DE convective flow; flow stability; buoyant flow; mushy layer; buoyant convection; dendrite layer; convective stability; flow bifurcation ID NONLINEAR-ANALYSIS; BINARY-ALLOYS; SOLIDIFICATION AB We consider the problem of weakly nonlinear compositional convection in horizontal mushy layers with permeable interface. The investigation, which is based on a newly developed model by the same authors, determines the results for the mushy layers with either uniform or non-uniform permeability. The motivation for this study is to determine the results that can provide useful information about the effect of permeability on the flow features. Using perturbation analysis and some numerical calculations, we determine the steady solutions to the weakly nonlinear problem under certain range of the parameter values where such analyses are valid. We find, in particular, that depending on the range of values of the parameters, the effect of permeability is to make the convection more likely in the form of either down-hexagons, with down-flow at the cells' centers and up-flow at the cells' boundaries, or supercritical non-hexagons. C1 [Riahi, D. N.] Univ Texas Pan Amer, Dept Math, 1201 W Univ Dr, Edinburg, TX 78541 USA. [Okhuysen, B. S.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Riahi, DN (reprint author), Univ Texas Pan Amer, Dept Math, 1201 W Univ Dr, Edinburg, TX 78541 USA. EM driahi@utpa.edu NR 9 TC 0 Z9 0 U1 0 U2 0 PU WORLD SCIENTIFIC AND ENGINEERING ACAD AND SOC PI ATHENS PA AG LOANNOU THEOLOGOU 17-23, 15773 ZOGRAPHOU, ATHENS, GREECE BN 978-960-6766-98-5 J9 WSEAS MECH ENG SER PY 2008 BP 99 EP + PG 2 WC Engineering, Aerospace; Engineering, Mechanical; Mechanics SC Engineering; Mechanics GA BIL44 UT WOS:000260495700011 ER PT J AU Vanhaecke, L Knize, MG Noppe, H De Brabander, H Verstraete, W Van de Wiele, T AF Vanhaecke, L. Knize, M. G. Noppe, H. De Brabander, H. Verstraete, W. Van de Wiele, T. TI Intestinal bacteria metabolize the dietary carcinogen 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine following consumption of a single cooked chicken meal in humans SO FOOD AND CHEMICAL TOXICOLOGY LA English DT Article DE heterocyclic aromatic amines; LC/MS/MS; meat; Salmonella/microsome assays; in vivo ID HETEROCYCLIC AROMATIC-AMINES; 2-AMINO-1-METHYL-6-PHENYLIMIDAZO<4,5-B>PYRIDINE PHIP; CYTOCHROME P4501A2; LIVER-MICROSOMES; PYRIDINE PHIP; HUMAN URINE; IDENTIFICATION; MUTAGENS; CANCER; FOOD AB 2-Amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (PhIP) is a carcinogenic heterocyclic amine formed in meats during cooking. Although the formation of PhIP metabolites by mammalian enzymes has been extensively reported, the involvement of the intestinal bacteria remains unclear. This study examined the urinary and fecal excretion of a newly identified microbial PhIP metabolite 7-hydroxy-5-methyl-3-phenyl-6,7,8,9-tetrahydropyrido[3',2':4,5]imidazo[1,2-a]pyrimidin-5-ium chloride (PhIP-MI) in humans. The subjects were fed 150 g of cooked chicken containing 0.88-4.7 mu g PhIP, and urine and feces collections were obtained during 72 h after the meal. PhIP-M1 and its trideuterated derivate were synthesized and a LC/MS/MS method was developed for their quantification. The mutagenic activity of PhIP-M1, as analyzed using the Salmonella strains TA98, TA100 and TA102, yielded no significant response. Of the ingested PhIP dose, volunteers excreted 12-21% as PhIP and 1.2-15% as PhIP-M I in urine, and 26-42% as PhIP and 0.9-11% as PhIP-M1 in feces. The rate of PhIP-M1 excretion varied among the subjects. Yet, an increase in urinary excretion was observed for successive time increments, whereas for PhIP the majority was excreted in the first 24 h. These findings suggest that besides differences in digestion, metabolism and diet, the microbial composition of the gastrointestinal tract also strongly influences individual disposition and carcinogenic risk from PhIP. (c) 2007 Elsevier Ltd. All rights reserved. C1 [Vanhaecke, L.; Verstraete, W.; Van de Wiele, T.] Univ Ghent, LabMET, B-9000 Ghent, Belgium. [Knize, M. G.] Lawrence Livermore Natl Lab, Chem Mat & Life Sci Div, Livermore, CA 94551 USA. [Noppe, H.; De Brabander, H.] Univ Ghent, Fac Vet Med, Lab Chem Anal, Dept Vet Publ Hlth & Food Safety, B-9820 Merelbeke, Belgium. RP Van de Wiele, T (reprint author), Univ Ghent, LabMET, B-9000 Ghent, Belgium. EM tom.vandewiele@ugent.be RI Van de Wiele, Tom/C-8638-2011 FU NCI NIH HHS [CA55861] NR 50 TC 16 Z9 16 U1 0 U2 9 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0278-6915 J9 FOOD CHEM TOXICOL JI Food Chem. Toxicol. PD JAN PY 2008 VL 46 IS 1 BP 140 EP 148 DI 10.1016/j.fct.2007.07.008 PG 9 WC Food Science & Technology; Toxicology SC Food Science & Technology; Toxicology GA 260UW UT WOS:000253036900017 PM 17766021 ER PT S AU Knize, MG Felton, JS AF Knize, Mark G. Felton, James S. BE Pico, Y TI Heterocyclic Amines SO FOOD CONTAMINANTS AND RESIDUE ANALYSIS SE Wilson and Wilsons Comprehensive Analytical Chemistry LA English DT Article; Book Chapter ID FRIED GROUND-BEEF; PERFORMANCE LIQUID-CHROMATOGRAPHY; IONIZATION MASS-SPECTROMETRY; IN-PROCESS FLAVORS; DONE RED MEAT; AROMATIC-AMINES; GAS-CHROMATOGRAPHY; COOKED MEAT; PAN RESIDUES; MODEL SYSTEM C1 [Knize, Mark G.; Felton, James S.] Lawrence Livermore Natl Lab, Chem Mat & Life Sci Directorate, Livermore, CA 94550 USA. RP Knize, MG (reprint author), Lawrence Livermore Natl Lab, Chem Mat & Life Sci Directorate, Livermore, CA 94550 USA. NR 107 TC 0 Z9 0 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0166-526X BN 978-0-08-093192-0 J9 COMP ANAL C PY 2008 VL 51 BP 685 EP 704 DI 10.1016/S0166-526X(08)00019-6 PG 20 WC Chemistry, Analytical; Food Science & Technology SC Chemistry; Food Science & Technology GA BCR30 UT WOS:000311082100021 ER PT J AU Matthews, RW Robertson, K Marland, G Marland, E AF Matthews, R. W. Robertson, K. Marland, G. Marland, E. BE FreerSmith, PH Broadmeadow, MSJ Lynch, JM TI Carbon in Wood Products and Product Substitution SO FORESTRY AND CLIMATE CHANGE LA English DT Article; Book Chapter ID SEQUESTRATION C1 [Matthews, R. W.] Forest Res, Alice Holt Lodge, Farnham GU10 4LH, Surrey, England. [Robertson, K.] FORCE Consulting, Rotorua, New Zealand. [Marland, G.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Marland, G.] Mid Sweden Univ, Ecotechnol Program, S-83125 Ostersund, Sweden. [Marland, E.] Appalachian State Univ, Dept Math Sci, Boone, NC 28608 USA. RP Matthews, RW (reprint author), Forest Res, Alice Holt Lodge, Farnham GU10 4LH, Surrey, England. EM robert.matthews@forestry.gsi.gov.uk; kimberlyrobertson@xtra.co.nz; marlandgh@ornl.gov; marlandes@appstate.edu NR 23 TC 0 Z9 0 U1 0 U2 0 PU CABI PUBLISHING-C A B INT PI WALLINGFORD PA CABI PUBLISHING, WALLINGFORD 0X10 8DE, OXON, ENGLAND BN 978-1-84593-294-7 PY 2008 BP 91 EP 104 PG 14 WC Environmental Sciences; Forestry; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Forestry; Meteorology & Atmospheric Sciences GA BVZ73 UT WOS:000293217000013 ER PT J AU Hanson, PJ Kurz, WA AF Hanson, P. J. Kurz, W. A. BE FreerSmith, PH Broadmeadow, MSJ Lynch, JM TI Commercial and Project-based Responses and Associated Research Initiatives in the Forest Sector SO FORESTRY AND CLIMATE CHANGE LA English DT Article; Book Chapter ID GREENHOUSE-GAS EMISSIONS; MANAGEMENT; BENEFITS; LIDAR C1 [Hanson, P. J.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Kurz, W. A.] Nat Resources Canada, Canadian Forest Serv, Victoria, BC V8Z 15M, Canada. RP Hanson, PJ (reprint author), Oak Ridge Natl Lab, Div Environm Sci, Bethel Valley Rd,Bldg 1062, Oak Ridge, TN 37831 USA. EM hansonpj@ornl.gov; wkurz@nrcan.gc.ca NR 14 TC 0 Z9 0 U1 0 U2 0 PU CABI PUBLISHING-C A B INT PI WALLINGFORD PA CABI PUBLISHING, WALLINGFORD 0X10 8DE, OXON, ENGLAND BN 978-1-84593-294-7 PY 2008 BP 226 EP 232 PG 7 WC Environmental Sciences; Forestry; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Forestry; Meteorology & Atmospheric Sciences GA BVZ73 UT WOS:000293217000028 ER PT S AU Hutchinson, DP Richards, RK AF Hutchinson, D. P. Richards, R. K. BE Majumdar, AK Ricklin, JC TI All-weather long-wavelength infrared free space optical communications SO FREE-SPACE LASER COMMUNICATIONS: PRINCIPLES AND ADVANCES SE Optical and Fiber Communications Reports LA English DT Article; Book Chapter AB Long-wavelength infrared radiation possesses superior transmission through common atmospheric problems such as fog, clouds, and smoke than the shorter wavelength laser sources in use today. Recent improvements in LWIR laser and modulator design makes possible reliable optical replacements for radio and microwave communications links in many applications. This paper describes components and techniques developed for high-speed, full-duplex all-weather infrared communications systems. C1 [Hutchinson, D. P.; Richards, R. K.] Oak Ridge Natl Lab, Engn Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Hutchinson, DP (reprint author), Oak Ridge Natl Lab, Engn Sci & Technol Div, Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM hutchinsondp@ornl.gov; richardsrk@ornl.gov 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 1619-1447 BN 978-0-387-28652-5 J9 OPT FIBER COMMUN REP PY 2008 BP 407 EP 417 DI 10.1007/s10297-006-0078-0 D2 10.1007/978-0-387-28677-8 PG 11 WC Engineering, Electrical & Electronic; Optics; Telecommunications SC Engineering; Optics; Telecommunications GA BKF23 UT WOS:000267946900010 ER PT S AU Greenlees, PT Herzberg, RD Ketelhut, S Ackermann, D Butler, PA Chatillon, A Eeckhaudt, S Gall, BJP Grahn, T Gray-Jones, C Gorgen, A Hessberger, FP Jakobsson, U Jones, GD Jones, P Julin, R Juutinein, S Khoo, TL Korten, W Leino, M Moon, S Nyman, M Pakarinen, J Papadakis, P Peura, P Rahkila, P Richer, M Rostron, D Santos, C Saren, J Scholey, C Sorri, J Tandel, SK Theisen, C Uusitalo, J Venhart, M AF Greenlees, P. T. Herzberg, R. -D. Ketelhut, S. Ackermann, D. Butler, P. A. Chatillon, A. Eeckhaudt, S. Gall, B. J. P. Grahn, T. Gray-Jones, C. Gorgen, A. Hessberger, F. -P Jakobsson, U. Jones, G. D. Jones, P. Julin, R. Juutinein, S. Khoo, T. -L. Korten, W. Leino, M. Moon, S. Nyman, M. Pakarinen, J. Papadakis, P. Peura, P. Rahkila, P. Richer, M. Rostron, D. Santos, C. Saren, J. Scholey, C. Sorri, J. Tandel, S. K. Theisen, Ch. Uusitalo, J. Venhart, M. BA Julin, R BF Julin, R BE Demetriuo, P Harissopulos, SV TI Spectroscopy of very heavy elements SO FRONTIERS IN NUCLEAR STRUCTURE, ASTROPHYSICS, AND REACTIONS: FINUSTAR 2 SE AIP CONFERENCE PROCEEDINGS LA English DT Proceedings Paper CT Conference on Frontiers in Nuclear Structure, Astrophysics, and Reactions CY SEP 10-14, 2007 CL Crete, GREECE SP NCSR, Univ Jyvaskyla, Natl Tech Univ Athens, Greek Minist Educ DE superheavy elements; recoil-decay tagging; nuclear structure ID FILLED RECOIL SEPARATOR; IN-BEAM; TRANSFERMIUM NUCLEI; NO-254; DECAY; ISOMERS; SPECTROMETER; FISSION; STATES; BAND AB Advances in spectrosopic techniques have meant that heavy nuclei in the upper right-hand corner of the nuclear chart have become amenable to detailed study. This detailed spectroscopic data can provide a stringent test for current nuclear structure theories. Experiments to investigate the structure of nuclei in the region of No-254 can yield information concerning moments of inertia, stability against fission with rotation, single-particle properties, excitation energies of two quasi-particle states, and so on. A brief overview of the techniques used and recent results from studies in the region of No-254 are presented, along with a summary of future developments which will allow further advances to be made. C1 [Greenlees, P. T.; Ketelhut, S.; Eeckhaudt, S.; Grahn, T.; Jakobsson, U.; Jones, P.; Julin, R.; Juutinein, S.; Leino, M.; Nyman, M.; Pakarinen, J.; Peura, P.; Rahkila, P.; Saren, J.; Scholey, C.; Sorri, J.; Uusitalo, J.] Univ Jyvaskyla, Dept Phys, FIN-40014 Jyvaskyla, Finland. [Herzberg, R. -D.; Butler, P. A.; Grahn, T.; Gray-Jones, C.; Jones, G. D.; Moon, S.; Pakarinen, J.; Papadakis, P.; Rostron, D.] Univ Liverpool, Dept Phys, Liverpool L69 7ZE, Merseyside, England. [Ackermann, D.; Chatillon, A.; Hessberger, F. -P] GSI, D-64291 Darmstadt, Germany. [Chatillon, A.; Gorgen, A.; Korten, W.; Theisen, Ch.] CEA Saclay, SPhN, DAPNIA, F-91191 Gif Sur Yvette, France. [Gall, B. J. P.; Richer, M.] Inst Pluridisciplinaire Herbert Curien, F-67037 Strasbourg, France. [Khoo, T. -L.] Argonne Natl Lab, Argonne, IL 60439 USA. [Tandel, S. K.] Univ Massachusetts Lowell, Dept Phys, Lowell, MA 01854 USA. [Venhart, M.] Comenius Univ, Bratislava, Slovakia. RP Greenlees, PT (reprint author), Univ Jyvaskyla, Dept Phys, FIN-40014 Jyvaskyla, Finland. RI Pakarinen, Janne/F-6695-2010; Herzberg, Rolf-Dietmar/E-1558-2011; KORTEN, Wolfram/H-3043-2013; Scholey, Catherine/G-2720-2014; THEISEN, Christophe/A-9343-2015 OI Pakarinen, Janne/0000-0001-8944-8757; Scholey, Catherine/0000-0002-8743-6071; THEISEN, Christophe/0000-0002-8509-1022 NR 41 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 978-0-7354-0532-5 J9 AIP CONF PROC PY 2008 VL 1012 BP 56 EP 63 PG 8 WC Astronomy & Astrophysics; Physics, Nuclear SC Astronomy & Astrophysics; Physics GA BHT40 UT WOS:000256223700009 ER PT S AU Seweryniak, D Carpenter, MP Gros, S Hecht, AA Hoteling, N Janssens, RVF Khoo, TL Lauritsen, T Lister, CJ Lotay, G Peterson, D Robinson, AP Walters, WB Wang, X Woods, PJ Zhu, S AF Seweryniak, D. Carpenter, M. P. Gros, S. Hecht, A. A. Hoteling, N. Janssens, R. V. F. Khoo, T. L. Lauritsen, T. Lister, C. J. Lotay, G. Peterson, D. Robinson, A. P. Walters, W. B. Wang, X. Woods, P. J. Zhu, S. BA Julin, R BF Julin, R BE Demetriuo, P Harissopulos, SV TI Single-neutron states in Sn-101 SO FRONTIERS IN NUCLEAR STRUCTURE, ASTROPHYSICS, AND REACTIONS: FINUSTAR 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT Conference on Frontiers in Nuclear Structure, Astrophysics, and Reactions CY SEP 10-14, 2007 CL Crete, GREECE SP NCSR, Univ Jyvaskyla, Natl Tech Univ Athens, Greek Minist Educ DE gamma-ray spectroscopy; beta-delayed proton emission; shell model ID NUCLEI; DECAY AB A search for gamma-ray transitions in Sn-101, which contains only one neutron outside the Sn-100 core, was carried out at the Argonne Tandem-Linac Accelerator System. Sn-101 nuclei were produced using the Ti-46(Ni-58,3n)Sn-101 reaction. In-beam gamma rays were detected in the Gammasphere Ge-detector array and were correlated with Sn-101 beta-delayed protons using the Recoil-Decay Tagging method. A gamma-ray line at 172 keV was assigned to Sn-101 and was interpreted as the transition between the single-neutron g(7/2) and d(5/2) states. The measured nu g(7/2)-nu d(5/2) energy splitting is compared with predictions of various mean-field potentials. It is also used to calculate multi-neutron configurations in light Sn isotopes. Prospects of using P-delayed protons for tagging other exotic nuclei in the Sn-100 region are discussed. C1 [Seweryniak, D.; Carpenter, M. P.; Gros, S.; Janssens, R. V. F.; Khoo, T. L.; Lauritsen, T.; Lister, C. J.; Peterson, D.; Robinson, A. P.; Wang, X.; Zhu, S.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. [Hecht, A. A.; Hoteling, N.; Walters, W. B.] Univ Maryland, Parks Coll, College Pk, MD 20742 USA. [Seweryniak, D.; Carpenter, M. P.; Gros, S.; Janssens, R. V. F.; Khoo, T. L.; Lauritsen, T.; Lister, C. J.; Peterson, D.; Robinson, A. P.; Zhu, S.] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. [Lotay, G.; Woods, P. J.] Univ Edinburgh, Edinburgh EH9 3JZ, Midlothian, Scotland. [Wang, X.] Univ Notre Dame, Notre Dame, IN 46556 USA. RP Seweryniak, D (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Carpenter, Michael/E-4287-2015 OI Carpenter, Michael/0000-0002-3237-5734 FU U.S. Department of Energy [DE-AC02-06CH11357] FX This work was supported by the U.S. Department of Energy, Office of Nuclear Physics under contract No. DE-AC02-06CH11357. NR 7 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 978-0-7354-0532-5 J9 AIP CONF PROC PY 2008 VL 1012 BP 79 EP + PG 2 WC Astronomy & Astrophysics; Physics, Nuclear SC Astronomy & Astrophysics; Physics GA BHT40 UT WOS:000256223700013 ER PT S AU Bredeweg, TA AF Bredeweg, T. A. BA Julin, R BF Julin, R CA DANCE Collaboration BE Demetriuo, P Harissopulos, SV TI Neutron capture reactions at DANCE SO FRONTIERS IN NUCLEAR STRUCTURE, ASTROPHYSICS, AND REACTIONS: FINUSTAR 2 SE AIP CONFERENCE PROCEEDINGS LA English DT Proceedings Paper CT Conference on Frontiers in Nuclear Structure, Astrophysics, and Reactions CY SEP 10-14, 2007 CL Crete, GREECE SP NCSR, Univ Jyvaskyla, Natl Tech Univ Athens, Greek Minist Educ DE neutron capture; neutron-induced fission; gamma-ray calorimeter ID LUJAN-CENTER; SIMULATION; DETECTOR AB The Detector for Advanced Neutron Capture Experiments (DANCE) is a 4 pi BaF2 array consisting of 160 active detector elements. The primary purpose of the array is to perform neutron capture cross section measurements on small (greater than or similar to 100 mu g) and/or radioactive (less than or similar to 100 mCi) species. The measurements made possible with this array will be useful in answering outstanding questions in the areas of national security, threat reduction, nuclear astrophysics, advanced reactor design and accelerator transmutation of waste. Since the commissioning of DANCE we have performed neutron capture cross section measurements on a wide array of medium to heavy mass nuclides. Measurements to date include neutron capture cross sections on Am-241,Am-243, neutron capture and neutron-induced fission cross sections and capture-to-fission ratio (alpha = sigma(gamma)/sigma(f)) for U-235 using a new fission-tagging detector as well as neutron capture cross sections for several astrophysics branchpoint nuclei. Results from several of these measurements will be presented along with a discussion of additional physics information that can be extracted from the DANCE data. C1 [Bredeweg, T. A.; DANCE Collaboration] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Bredeweg, TA (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 15 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 978-0-7354-0532-5 J9 AIP CONF PROC PY 2008 VL 1012 BP 111 EP 117 PG 7 WC Astronomy & Astrophysics; Physics, Nuclear SC Astronomy & Astrophysics; Physics GA BHT40 UT WOS:000256223700018 ER PT S AU Lister, CJ AF (Kim) Lister, C. J. BA Julin, R BF Julin, R BE Demetriuo, P Harissopulos, SV TI Advancing along the N = Z line: A 30 year odyssey SO FRONTIERS IN NUCLEAR STRUCTURE, ASTROPHYSICS, AND REACTIONS: FINUSTAR 2 SE AIP CONFERENCE PROCEEDINGS LA English DT Proceedings Paper CT Conference on Frontiers in Nuclear Structure, Astrophysics, and Reactions CY SEP 10-14, 2007 CL Crete, GREECE SP NCSR, Univ Jyvaskyla, Natl Tech Univ Athens, Greek Minist Educ DE N = Z nuclei; nuclear shapes; pairing correlations; and isomers ID MEDIUM MASS NUCLEI; STRONTIUM ISOTOPES; SYMMETRY ENERGY; N=Z; IDENTIFICATION; SPECTROSCOPY; DEFORMATION; STATES; SE-68 AB N = Z nuclei have always had a special role in nuclear physics due to the symmetry of their wavefunctions, and their anomalously high binding energy. Beyond Ni-56 they gain new significance, as they lie close to the proton dripline, and approaching Sn-100, they define the dripline. They are interesting for their structure, for rp-process nucleosynthesis, and as laboratories for weak interaction physics. In this paper I review some currently interesting topics and open questions. C1 Argonne Natl Lab, Argonne, IL 60439 USA. RP Lister, CJ (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 57 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 978-0-7354-0532-5 J9 AIP CONF PROC PY 2008 VL 1012 BP 128 EP 133 PG 6 WC Astronomy & Astrophysics; Physics, Nuclear SC Astronomy & Astrophysics; Physics GA BHT40 UT WOS:000256223700021 ER PT S AU Wuosmaa, AH Rehm, KE Greene, JP Henderson, DJ Janssens, RVF Jiang, CL Jisonna, L Lighthall, JC Marley, ST Moore, EF Pardo, RC Patel, N Paul, M Peterson, D Pieper, SC Savard, G Schiffer, JP Segel, RE Siemssen, RH Tang, X Wiringa, RB AF Wuosmaa, A. H. Rehm, K. E. Greene, J. P. Henderson, D. J. Janssens, R. V. F. Jiang, C. L. Jisonna, L. Lighthall, J. C. Marley, S. T. Moore, E. F. Pardo, R. C. Patel, N. Paul, M. Peterson, D. Pieper, S. C. Savard, G. Schiffer, J. P. Segel, R. E. Siemssen, R. H. Tang, X. Wiringa, R. B. BA Julin, R BF Julin, R BE Demetriuo, P Harissopulos, SV TI The structure of He-7 SO FRONTIERS IN NUCLEAR STRUCTURE, ASTROPHYSICS, AND REACTIONS: FINUSTAR 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT Conference on Frontiers in Nuclear Structure, Astrophysics, and Reactions CY SEP 10-14, 2007 CL Crete, GREECE SP NCSR, Univ Jyvaskyla, Natl Tech Univ Athens, Greek Minist Educ DE transfer reactions; unstable beams; spectroscopic factors ID SHELL-MODEL CALCULATIONS; NUCLEI; HELIUM; SEARCH AB We have studied the properties of the unbound isotope of helium He-7, using the H-2(Li-8,He-3)He-7 reaction. When combined with prior measurements of the H-2(He-6,p)He-7 reaction the data present a consistent picture for the low-lying excited states of He-7, specifically the negative parity sequence 3/2(-) (ground state) 1/2(-) (first-excited) and 5/2(-) (second-excited). The shapes but not the absolute magnitudes of the angular distributions are reproduced by ab-initio theory coupled with a DWBA reaction framework. C1 [Wuosmaa, A. H.; Lighthall, J. C.; Marley, S. T.] Western Michigan Univ, Dept Phys, Kalamazoo, MI 49008 USA. [Rehm, K. E.; Greene, J. P.; Henderson, D. J.; Janssens, R. V. F.; Jiang, C. L.; Moore, E. F.; Pardo, R. C.; Peterson, D.; Pieper, S. C.; Savard, G.; Schiffer, J. P.; Tang, X.; Wiringa, R. B.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Jisonna, L.; Segel, R. E.] Northwestern Univ, Dept Phys, Evanston, IL 60208 USA. [Patel, N.] Colorado Sch Mines, Dept Phys, Golden, CO 80401 USA. [Paul, M.] Hebrew Univ Jerusalem, IL-91904 Jerusalem, Israel. [Siemssen, R. H.] Kernfys Versneller Inst, NL-9747 AA Groningen, Netherlands. RP Wuosmaa, AH (reprint author), Western Michigan Univ, Dept Phys, Kalamazoo, MI 49008 USA. NR 22 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 978-0-7354-0532-5 J9 AIP CONF PROC PY 2008 VL 1012 BP 225 EP + PG 3 WC Astronomy & Astrophysics; Physics, Nuclear SC Astronomy & Astrophysics; Physics GA BHT40 UT WOS:000256223700039 ER PT S AU Brown, JR Bentley, MA Taylor, MJ Aldrich, P Bazin, D Cook, JM Digee, CA Gade, A Glasmacher, T McDaniel, SM Pritychenko, B Ratkiewicz, A Siwek, K Weisshaar, D AF Brown, J. R. Bentley, M. A. Taylor, M. J. Aldrich, P. Bazin, D. Cook, J. M. Digee, C. A. Gade, A. Glasmacher, T. McDaniel, S. M. Pritychenko, B. Ratkiewicz, A. Siwek, K. Weisshaar, D. BA Julin, R BF Julin, R BE Demetriuo, P Harissopulos, SV TI Mirrored fragmentation reactions - A new technique for probing isospin symmetry in exotic nuclei SO FRONTIERS IN NUCLEAR STRUCTURE, ASTROPHYSICS, AND REACTIONS: FINUSTAR 2 SE AIP Conference Proceedings LA English DT Proceedings Paper CT Conference on Frontiers in Nuclear Structure, Astrophysics, and Reactions CY SEP 10-14, 2007 CL Crete, GREECE SP NCSR, Univ Jyvaskyla, Natl Tech Univ Athens, Greek Minist Educ DE Ni-53; gamma-my spectroscopy; mirror energy differences; isobaric analogue states; mirrored fragmentation reactions AB Gamma decays have been observed for the first time in the T-z=-3/2 nucleus Ni-53. This represents the first gamma-spectroscopy of a T-z=-3/2 nucleus heavier than A=33. The nucleus was produced via a two-step fragmentation process, along with its mirror Mn-53. Differences in excitation energy between isobaric analogue states have been calculated and a preliminary interpretation attempted; shell model calculations are required to further understand these results. This work represents the first study of isobaric analogue states via mirrored fragmentation reactions and demonstrates the power of this new technique. C1 [Brown, J. R.; Bentley, M. A.; Taylor, M. J.] Univ York, York YO10 5DD, N Yorkshire, England. [Aldrich, P.; Bazin, D.; Cook, J. M.; Digee, C. A.; Gade, A.; Glasmacher, T.; McDaniel, S. M.; Ratkiewicz, A.; Siwek, K.; Weisshaar, D.] Michigan State Univ, Natl Supercond Cyclotron Lab, E Lansing, MI 48824 USA. [Pritychenko, B.] Brookhaven Natl Lab, Natl Nucl Data Ctr, Upton, NY 11973 USA. RP Brown, JR (reprint author), Univ York, York YO10 5DD, N Yorkshire, England. RI Glasmacher, Thomas/H-9673-2014; Taylor, Michael/N-1725-2015 OI Glasmacher, Thomas/0000-0001-9436-2448; Taylor, Michael/0000-0002-8718-3684 NR 6 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 978-0-7354-0532-5 J9 AIP CONF PROC PY 2008 VL 1012 BP 347 EP + PG 2 WC Astronomy & Astrophysics; Physics, Nuclear SC Astronomy & Astrophysics; Physics GA BHT40 UT WOS:000256223700061 ER PT S AU Ziomek-Moroz, M Adler, T Alman, DE Jablonski, PD Clark, J Penner, LR AF Ziomek-Moroz, M. Adler, T. Alman, D. E. Jablonski, P. D. Clark, J. Penner, L. R. BE Williams, M Krist, K Garland, N Satyapal, S TI Materials Performance of Modified 430 Stainless Steel in Simulated SOFC Stack Environments for Integrated Gasification Fuel Cell System Applications SO FUEL CELL SEMINAR 2007 SE ECS Transactions LA English DT Proceedings Paper CT Fuel Cell Seminar 2007 CY 2007 CL San Antonio, TX AB The corrosion behaviors of a low silicon and aluminum 430 stainless steel with and without ceria surface treatment were investigated in a simulated coal syngas at 800 degrees C and in air. Thermodynamic calculations were made to predict carbon activities for the coal syngas as a function of temperature. At 800 degrees C, carbon activity is similar to 1.1, which indicates that carbon that forms could diffuse into the steel and induce carbon corrosion, e.g. carburization and metal dusting. The surface morphology was investigated with X-ray diffraction and scanning electron microscopy. In coal gas, the scale formed on bare steel consisted of Mn(1.5)Cr(1.5)O(4) and Cr(2)O(3) and on ceria treated steel (Fe, Mn)O, FeCr(2)O(4), Cr(2)O(3), and CeCrO(3). Both materials underwent carburization, but not metal dusting. The results of oxidation in air using a thermogravimetric apparatus confirmed that the 430 sample was less resistant to oxidation than the 430 treated with ceria. C1 [Ziomek-Moroz, M.; Adler, T.; Alman, D. E.; Jablonski, P. D.; Clark, J.; Penner, L. R.] US DOE, Off Res & Dev, Natl Energy Technol Lab, Albany, OR 97321 USA. RP Ziomek-Moroz, M (reprint author), US DOE, Off Res & Dev, Natl Energy Technol Lab, Albany, OR 97321 USA. NR 20 TC 2 Z9 2 U1 0 U2 1 PU ELECTROCHEMICAL SOCIETY INC PI PENNINGTON PA 65 S MAIN ST, PENNINGTON, NJ 08534-2839 USA SN 1938-5862 BN 978-1-56677-639-4 J9 ECS TRANSACTIONS PY 2008 VL 12 IS 1 BP 273 EP 281 DI 10.1149/1.2921553 PG 9 WC Electrochemistry; Energy & Fuels SC Electrochemistry; Energy & Fuels GA BME48 UT WOS:000272017100027 ER PT S AU Flynn, M Kenyon, GT AF Flynn, Mark Kenyon, Garrett T. BE Ilyin, S TI Neurally Inspired Algorithms as Computational Tools SO FUNCTIONAL INFORMATICS IN DRUG DISCOVERY SE Drug Discovery Series LA English DT Article; Book Chapter ID CAT VISUAL-CORTEX; DEPENDENT NEURONAL OSCILLATIONS; LATERAL GENICULATE-NUCLEUS; LONG-RANGE SYNCHRONIZATION; COINCIDENCE DETECTION; TEMPORAL PATTERNS; CORTICAL-NEURONS; STRIATE CORTEX; IN-VIVO; SYNCHRONOUS OSCILLATIONS C1 [Flynn, Mark; Kenyon, Garrett T.] Los Alamos Natl Lab, Los Alamos, NM USA. RP Flynn, M (reprint author), Los Alamos Natl Lab, Los Alamos, NM USA. NR 101 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 SN 2154-5200 J9 DRUG DISCOV SER JI Drug Discov. Ser. PY 2008 VL 9 BP 13 EP 39 PG 27 WC Biotechnology & Applied Microbiology; Pharmacology & Pharmacy SC Biotechnology & Applied Microbiology; Pharmacology & Pharmacy GA BKV58 UT WOS:000269400900002 ER PT B AU Chen, JS Sun, CJ Chow, GM AF Chen, J. S. Sun, C. J. Chow, G. M. BE Seal, S TI Nanostructured High-Anisotropy Materials for High-Density Magnetic Recording SO FUNCTIONAL NANOSTRUCTURES: PROCESSING, CHARACTERIZATION, AND APPLICATIONS SE Nanostructure Science and Technology LA English DT Article; Book Chapter ID FEPT THIN-FILMS; COMPOSITE NANOGRANULAR FILMS; TOP LAYER DIFFUSION; L1(0) FEPT; MAGNETOCRYSTALLINE ANISOTROPY; GRANULAR FILMS; PERPENDICULAR MEDIA; ORDERED ALLOY; PARTICLE-SIZE; PINNING LAYER C1 [Chen, J. S.] Data Storage Inst, Singapore 117608, Singapore. [Chen, J. S.; Sun, C. J.; Chow, G. M.] Natl Univ Singapore, Dept Mat Sci & Engn, Singapore 119260, Singapore. [Sun, C. J.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Chen, JS (reprint author), Data Storage Inst, Singapore 117608, Singapore. EM Chen_Jingsheng@dsi.a-star.edu.sg RI Chen, Jingsheng/D-9107-2011 NR 180 TC 1 Z9 1 U1 1 U2 2 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES BN 978-0-387-35463-7 J9 NANOSTRUCT SCI TECHN PY 2008 BP 345 EP 413 DI 10.1007/978-0-387-48805-9_7 D2 10.1007/978-0-387-48805-9 PG 69 WC Nanoscience & Nanotechnology SC Science & Technology - Other Topics GA BKE48 UT WOS:000267890100007 ER PT J AU McMurtrie, RE Norby, RJ Medlyn, BE Dewar, RC Pepper, DA Reich, PB Barton, CVM AF McMurtrie, Ross E. Norby, Richard J. Medlyn, Belinda E. Dewar, Roderick C. Pepper, David A. Reich, Peter B. Barton, Craig V. M. TI Why is plant-growth response to elevated CO2 amplified when water is limiting, but reduced when nitrogen is limiting? A growth-optimisation hypothesis SO FUNCTIONAL PLANT BIOLOGY LA English DT Article DE carbon-nitrogen-water economy; climate change; CO2 enrichment; forest model; leaf area index; stomatal conductance ID ATMOSPHERIC CARBON-DIOXIDE; MODELING CANOPY PRODUCTION; NET PRIMARY PRODUCTIVITY; LONG-TERM RESPONSE; LEAF-AREA; DECIDUOUS FOREST; STOMATAL CONTROL; USE EFFICIENCY; FACE EXPERIMENTS; ENRICHMENT FACE AB Experimental evidence indicates that the stomatal conductance and nitrogen concentration ([N]) of foliage decline under CO2 enrichment, and that the percentage growth response to elevated CO2 is amplified under water limitation, but reduced under nitrogen limitation. We advance simple explanations for these responses based on an optimisation hypothesis applied to a simple model of the annual carbon-nitrogen-water economy of trees growing at a CO2-enrichment experiment at Oak Ridge, Tennessee, USA. The model is shown to have an optimum for leaf [N], stomatal conductance and leaf area index (LAI), where annual plant productivity is maximised. The optimisation is represented in terms of a trade-off between LAI and stomatal conductance, constrained by water supply, and between LAI and leaf [N], constrained by N supply. At elevated CO2 the optimum shifts to reduced stomatal conductance and leaf [N] and enhanced LAI. The model is applied to years with contrasting rainfall and N uptake. The predicted growth response to elevated CO2 is greatest in a dry, high-N year and is reduced in a wet, low-N year. The underlying physiological explanation for this contrast in the effects of water versus nitrogen limitation is that leaf photosynthesis is more sensitive to CO2 concentration ([CO2]) at lower stomatal conductance and is less sensitive to [CO2] at lower leaf [N]. C1 [McMurtrie, Ross E.; Pepper, David A.] Univ New S Wales, Sch Biol Earth & Environm Sci, Sydney, NSW 2052, Australia. [Norby, Richard J.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Medlyn, Belinda E.] Macquarie Univ, Sch Biol Sci, Sydney, NSW 2019, Australia. [Dewar, Roderick C.] INRA Ctr Bordeaux Aquitaine, Lab Funct Ecol & Environm Phys EPHYSE, F-33883 Villenave Dornon, France. [Reich, Peter B.] Univ Minnesota, Dept Forest Resources, St Paul, MN 55108 USA. [Barton, Craig V. M.] NSW Dept Primary Ind, Beecroft, NSW 2119, Australia. RP McMurtrie, RE (reprint author), Univ New S Wales, Sch Biol Earth & Environm Sci, Sydney, NSW 2052, Australia. EM r.mcmurtrie@unsw.edu.au RI Barton, Craig/B-7026-2008; Norby, Richard/C-1773-2012; OI Norby, Richard/0000-0002-0238-9828; Medlyn, Belinda/0000-0001-5728-9827; Pepper, David/0000-0002-7562-6919 NR 85 TC 69 Z9 70 U1 3 U2 44 PU CSIRO PUBLISHING PI COLLINGWOOD PA 150 OXFORD ST, PO BOX 1139, COLLINGWOOD, VICTORIA 3066, AUSTRALIA SN 1445-4408 EI 1445-4416 J9 FUNCT PLANT BIOL JI Funct. Plant Biol. PY 2008 VL 35 IS 6 BP 521 EP 534 DI 10.1071/FP08128 PG 14 WC Plant Sciences SC Plant Sciences GA 333EI UT WOS:000258134900009 ER PT S AU Weber, JE Yelton, WG Kumar, A AF Weber, J. E. Yelton, W. G. Kumar, A. BE Vaseashta, A Milhailescu, IN TI ELECTRODEPOSITION OF BI1-xSBx NANOWIRES AS AN ADVANCED MATERIAL FOR THERMOELECTRIC APPLICATIONS SO FUNCTIONALIZED NANOSCALE MATERIALS, DEVICES AND SYSTEMS SE NATO Science for Peace and Security Series B-Physics and Biophysics LA English DT Proceedings Paper CT NATO Advanced Study Institute on Functionalized Nanoscale Materials, Devices and Systems for Chem-Bio Sensors, Photonics and Energy Generation and Storage CY JUN 04-15, 2007 CL Sinaia, ROMANIA SP NATO DE Nanowire; electrodeposition; thermoelectric application AB This paper focuses on the electrodeposition of high density nanowire arrays in porous anodic aluminum oxide (AAO) templates. A two step anodization technique was used to develop a template for Bi1-xSbx nanowire growth directly on Si substrates. Uniform pores with virtually no grain boundaries were achieved. Fundamental electrochemistry experiments on Bi3+, Sb3+, and both cations in dimethyl sulfoxide (DMSO) were carried out to characterize the ideal chronopotential pulse and to determine the thermodynamic, diffusion and mass transport issues when plating Bi1-xSbx into nano dimension pore structures. Such chronopotentiometry resulted in uniform nanowire growth within porous channels of the AAO template. C1 [Weber, J. E.; Kumar, A.] Univ S Florida, Dept Mech Engn, Nanomat & Nanomfg Res Ctr, Tampa, FL 33620 USA. [Weber, J. E.; Kumar, A.] Univ S Florida, Dept Mech Engn Nanomat Nanomfg Res Ctr, Tampa, FL USA. [Yelton, W. G.] Sandia Natl Labs, Photon Microsyst Technol, Albuquerque, NM USA. RP Kumar, A (reprint author), Univ S Florida, Dept Mech Engn, Nanomat & Nanomfg Res Ctr, Tampa, FL 33620 USA. EM akumar@eng.usf.edu NR 2 TC 0 Z9 0 U1 0 U2 1 PU SPRINGER PI DORDRECHT PA PO BOX 17, 3300 AA DORDRECHT, NETHERLANDS SN 1871-465X BN 978-1-4020-8901-5 J9 NATO SCI PEACE SEC B PY 2008 BP 425 EP + DI 10.1007/978-1-4020-8903-9_43 PG 2 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA BIK88 UT WOS:000260438200043 ER PT J AU Litnovsky, A Rudakov, DL De Temmerman, G Wienhold, P Philipps, V Samm, U McLean, AG West, WP Wong, CPC Brooks, NH Watkins, JG Wampler, WR Stangeby, PC Boedo, JA Moyer, RA Allen, SL Fenstermacher, ME Groth, M Lasnier, CJ Boivin, RL Leonard, AW Romanyuk, A Hirai, T Pintsuk, G Breuer, U Scholl, A AF Litnovsky, A. Rudakov, D. L. De Temmerman, G. Wienhold, P. Philipps, V. Samm, U. McLean, A. G. West, W. P. Wong, C. P. C. Brooks, N. H. Watkins, J. G. Wampler, W. R. Stangeby, P. C. Boedo, J. A. Moyer, R. A. Allen, S. L. Fenstermacher, M. E. Groth, M. Lasnier, C. J. Boivin, R. L. Leonard, A. W. Romanyuk, A. Hirai, T. Pintsuk, G. Breuer, U. Scholl, A. TI First tests of diagnostic mirrors in a tokamak divertor: An overview of experiments in D111-D SO FUSION ENGINEERING AND DESIGN LA English DT Article DE diagnostic mirrors; ITER; erosion and deposition; reflectivity and polarization ID DIII-D TOKAMAK; HYDROCARBON FORMATION; CARBON; ION; SYSTEMS; DESIGN; PLASMA; LAYER AB Mirrors will be used in ITER in all optical diagnostic systems observing the plasma radiation in the ultraviolet, visible and infrared ranges. Diagnostic mirrors in ITER will suffer from electromagnetic radiation, energetic particles and neutron irradiation. Erosion due to impact of fast neutralls from plasma and deposition of plasma impurities may significantly degrade optical and polarization characteristics of mirrors influencing the overall performance of the respective diagnostics. Therefore, maintaining the best possible performance of mirrors is of the crucial importance for the ITER optical diagnostics. Mirrors in ITER divertor are expected to suffer from deposition of impurities. The dedicated experiment in a tokamak divertor was needed to address this issue. Investigations with molybdenum diagnostic mirrors were made in DIII-D divertor. Mirror samples were exposed at different temperatures in the private flux region to a series of ELMy H-mode discharges with partially detached divertor plasmas. An increase of temperature of mirrors during the exposure generally led to the mitigation of carbon deposition, primarily due to temperature-enhanced chemical erosion of carbon layers by D atoms. Finally, for the mirrors exposed at the temperature of similar to 160 degrees C neither carbon deposition nor degradation of optical properties was detected. (c) 2007 Elsevier B.V. All rights reserved. C1 [Litnovsky, A.; Wienhold, P.; Philipps, V.; Samm, U.] Forschungszentrum, Assoc EURATOM FZJ, Inst Energiefors, D-52425 Julich, Germany. [Rudakov, D. L.; Boedo, J. A.; Moyer, R. A.] Univ Calif San Diego, La Jolla, CA 92093 USA. [De Temmerman, G.; Romanyuk, A.] Univ Basel, Inst Phys, CH-4056 Basel, Switzerland. [McLean, A. G.; Stangeby, P. C.] Univ Toronto, Inst Aerosp Studies, Toronto, ON M3H 5T6, Canada. [West, W. P.; Wong, C. P. C.; Brooks, N. H.; Boivin, R. L.; Leonard, A. W.] Gen Atom Co, San Diego, CA 92186 USA. [Watkins, J. G.; Wampler, W. R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Allen, S. L.; Fenstermacher, M. E.; Groth, M.; Lasnier, C. J.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Hirai, T.; Pintsuk, G.] Forschungszentrum, Inst Energiefors, D-52425 Julich, Germany. [Breuer, U.; Scholl, A.] Forschungszentrum, Zentralabt Chem Analysen, D-52425 Julich, Germany. RP Litnovsky, A (reprint author), Forschungszentrum, Inst Energiefors, D-52425 Julich, Germany. EM a.litnovsky@fz-juelich.de RI Romanyuk, Andriy/E-4627-2010; Groth, Mathias/G-2227-2013 NR 29 TC 31 Z9 33 U1 0 U2 8 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 J9 FUSION ENG DES JI Fusion Eng. Des. PD JAN PY 2008 VL 83 IS 1 BP 79 EP 89 DI 10.1016/j.fusengdes.2007.06.042 PG 11 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 264GK UT WOS:000253275500011 ER PT J AU Uckan, NA AF Uckan, Nermin A. TI Special issue on electron cyclotron wave physics, technology, and applications - Part 2 SO FUSION SCIENCE AND TECHNOLOGY LA English DT Editorial Material C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Uckan, NA (reprint author), Oak Ridge Natl Lab, 1 Ridge Natl Lab,POB 2008,MS 6169, Oak Ridge, TN 37831 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD JAN PY 2008 VL 53 IS 1 BP III EP III PG 1 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 255TL UT WOS:000252680200001 ER PT J AU Harvey, RW Smirnov, AP Nelson-Melby, E Taylor, G Coda, S Ram, AK AF Harvey, R. W. Smirnov, A. P. Nelson-Melby, E. Taylor, G. Coda, S. Ram, A. K. TI Nonthermal electron Bernstein emission in NSTX-like discharges SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 14th Joint Workshop on Electron Cyclotron Emission and Electron Cyclotron Resonance Heating CY MAY 09-12, 2006 CL Santorini, GREECE DE plasmas; radio-frequency heating; electron Bernstein wave emission ID INHOMOGENEOUS-PLASMA; CURRENT DRIVE; WAVES; TOKAMAKS; ABSORPTION; MODE AB In overdense plasma for which the plasma frequency exceeds the cyclotron frequency, X-mode, near-perpendicular cyclotron emission does not propagate to the outboard plasma edge. However, under these conditions it remains possible for electron Bernstein waves (EBWs) to transmit emitted radiation from central plasma to the plasma exterior via a mode conversion to electromagnetic waves near the plasma edge. GENRAY is an all-frequencies, three-dimensional ray-tracing code and also calculates EBW emission (EBWE) from thermal or nonthermal relativistic distributions. The numerical methods are based on the earlier HORACE circular plasma code (R.W. Harvey et al., Proc. 7th Joint Workshop and International Atomic Energy Agency Technical Committee Meeting on Electron Cyclotron Emission and Electron Cyclotron Resonance Heating, Hefei, China, 1989), generalized to noncircular plasmas and to electromagnetic EBWs, including a parallel refractive index greater than 1. Emission and absorption are calculated on an array of points along EBW rays emanating from the antenna, and the radiation transport equation is backsolved along the EBW rays to the antenna. Hot plasma dispersion is used along with a relativistic calculation of the thermal or nonthermal emission and absorption. This paper describes the calculation and reports new results for nonthermal EBWE. Along with detailed numerical analysis, EBWE can be used to measure both thermal and nonthermal properties of the electron distribution function. C1 [Harvey, R. W.; Smirnov, A. P.; Nelson-Melby, E.] CompX, Del Mar, CA USA. [Taylor, G.] Princeton Plasma Phys Lab, Princeton, NJ USA. [Coda, S.] Ecole Polytech Fed Lausanne, Lausanne, Switzerland. [Ram, A. K.] MIT, Boston, MA USA. RP Harvey, RW (reprint author), CompX, Del Mar, CA USA. EM bobh@compxco.com RI Smirnov, Alexander /A-4886-2014 NR 18 TC 1 Z9 1 U1 1 U2 4 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD JAN PY 2008 VL 53 IS 1 BP 237 EP 245 PG 9 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 255TL UT WOS:000252680200022 ER PT J AU Renner, JL AF Renner, Joel L. BE Letcher, TM TI Geothermal Energy SO FUTURE ENERGY: IMPROVED, SUSTAINABLE AND CLEAN OPTIONS FOR OUR PLANET LA English DT Article; Book Chapter AB The word 'geothermal' comes from the combination of the Greek words ge, meaning earth, and therm, meaning heat. This heat is manifested on the surface in the form of volcanoes, geysers and hot springs. Geothermal resources are concentrations of the earth's heat, or geothermal energy, that can be extracted and used economically now or in the reasonable future. The earth contains an immense amount of heat but the heat generally is too diffuse or deep for economic use. Hence, the search for geothermal resources focuses on those areas of the earth's crust where geological processes have raised temperatures near enough to the surface that the heat contained can be utilized. Currently, only concentrations of heat associated with water in permeable rocks can be exploited economically. These systems are known as hydrothermal geothermal systems. This chapter will discuss where the earth's thermal energy is sufficiently concentrated for economic use, the various types of geothermal systems, the production and utilization of the resource, and the environmental benefits and costs of geothermal production. C1 [Renner, Joel L.] US DOE, Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM jlrenner@live.com NR 17 TC 1 Z9 1 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-056487-6 PY 2008 BP 211 EP 223 DI 10.1016/B978-0-08-054808-1.00012-0 PG 13 WC Energy & Fuels SC Energy & Fuels GA BCQ38 UT WOS:000310997100015 ER PT J AU Allison, E AF Allison, Edith BE Letcher, TM TI Methane Hydrates SO FUTURE ENERGY: IMPROVED, SUSTAINABLE AND CLEAN OPTIONS FOR OUR PLANET LA English DT Article; Book Chapter ID GAS HYDRATE AB Methane hydrate is an ice-like substance composed of cages of water molecules enclosing a molecule of methane gas. Methane hydrate forms at high pressure and low temperature, where sufficient gas is present, and generally in two types of geological settings: in the Arctic, where hydrate forms beneath permafrost, and beneath the ocean floor at water depths greater than about 500 meters. The hydrate deposits themselves may be several hundred meters thick. The world methane hydrate resource is huge, estimated to be equivalent to or larger than conventional natural gas resources. However, future production volumes are speculative because methane production from hydrate has not been documented beyond small-scale field experiments. The two major technical constraints to production are: (1) the need to detect and quantify methane hydrate deposits prior to drilling, and (2) the demonstration of methane production from hydrate at commercial volumes. Recent and planned research and field trials should answer these two issues. In a few tests, researchers have demonstrated the capability to predict the location and volume of methane hydrate deposits using reprocessed conventional 3D seismic data, and new techniques, including multi-component seismic, are being tested. Methane hydrate deposits that have been extensively studied in the US and Canadian Arctic, and offshore of Japan, India, the USA and Canada, document concentrated deposits that may be economic to develop. Modelling of small-volume production tests in the US and Canadian Arctic suggest that commercial production is possible using depressurization and thermal stimulation from conventional wellbores. Large-scale production tests are planned in the Canadian Arctic in the winter of 2008 and in the US Arctic in the following year. Demonstration of production from offshore deposits will lag behind Arctic studies by three to five years, because marine deposits are less well documented, and marine sampling and well tests are significantly more expensive. Research programs in the USA and Japan aim to have the technology necessary to produce methane from hydrate by 2016-2020. Although there will be significant conventional natural gas resources available at that time, production of methane from hydrate is expected to proceed in areas lacking adequate indigenous natural gas supplies and in areas with underutilized infrastructure. Methane hydrate could become a major energy source within 20 years of the first commercial production, paralleling the development of coal-bed methane. C1 US DOE, Explorat & Methane Hydrate Program, Washington, DC 20585 USA. RP Allison, E (reprint author), US DOE, Explorat & Methane Hydrate Program, 1000 Independence Ave, Washington, DC 20585 USA. EM edith.allison@hq.doe.gov NR 27 TC 1 Z9 1 U1 1 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-056487-6 PY 2008 BP 277 EP 290 DI 10.1016/B978-0-08-054808-1.00016-8 PG 14 WC Energy & Fuels SC Energy & Fuels GA BCQ38 UT WOS:000310997100019 ER PT J AU Grisham, LR AF Grisham, Larry R. BE Letcher, TM TI Nuclear Fusion SO FUTURE ENERGY: IMPROVED, SUSTAINABLE AND CLEAN OPTIONS FOR OUR PLANET LA English DT Article; Book Chapter AB Nuclear fusion, the joining of light nuclei of hydrogen into heavier nuclei of helium, has potential environmental, safety and proliferation characteristics as an energy source, as well as adequate fuel to power civilization for times long compared to human history. It is, however, more challenging to convert to an energy source than nuclear fission. This chapter introduces the physics, advantages, difficulties, progress, economics and prospects for fusion energy power plants. C1 Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. RP Grisham, LR (reprint author), Princeton Univ, Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM lgrisham@pppl.gov NR 10 TC 0 Z9 0 U1 1 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS BN 978-0-08-056487-6 PY 2008 BP 291 EP 301 DI 10.1016/B978-0-08-054808-1.00017-X PG 11 WC Energy & Fuels SC Energy & Fuels GA BCQ38 UT WOS:000310997100020 ER PT J AU Dongarra, J Tourancheau, B AF Dongarra, Jack Tourancheau, Bernard TI Special section: Cluster and computational grids for scientific computing SO FUTURE GENERATION COMPUTER SYSTEMS-THE INTERNATIONAL JOURNAL OF GRID COMPUTING THEORY METHODS AND APPLICATIONS LA English DT Editorial Material C1 INRIA, Ecole Normale Super, CNR, F-69634 Lyon 07, France. Univ Lyon 1, F-69634 Lyon, France. Univ Tennessee, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Tourancheau, B (reprint author), INRIA, Ecole Normale Super, CNR, Pl Italie, F-69634 Lyon 07, France. EM bernard.tourancheau@ens-lyon.fr NR 0 TC 0 Z9 0 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-739X J9 FUTURE GENER COMP SY JI Futur. Gener. Comp. Syst. PD JAN PY 2008 VL 24 IS 1 BP 30 EP 30 DI 10.1016/j.future.2007.03.005 PG 1 WC Computer Science, Theory & Methods SC Computer Science GA 219NU UT WOS:000250092700004 ER PT J AU Buntinas, D Coti, C Herault, T Lemarinier, P Pilard, L Rezmerita, A Rodriguez, E Cappello, F AF Buntinas, Darius Coti, Camille Herault, Thomas Lemarinier, Pierre Pilard, Laurence Rezmerita, Ala Rodriguez, Eric Cappello, Franck TI Blocking vs. non-blocking coordinated checkpointing for large-scale fault tolerant MPI protocols SO FUTURE GENERATION COMPUTER SYSTEMS-THE INTERNATIONAL JOURNAL OF GRID COMPUTING THEORY METHODS AND APPLICATIONS LA English DT Article DE fault tolerant MPI; performance evaluation; coordinated checkpointing; rollback/recovery; large-scale ID IMPLEMENTATION AB A long-term trend in high-performance computing is the increasing number of nodes in parallel computing platforms, which entails a higher failure probability. Fault tolerant programming environments should be used to guarantee the safe execution of critical applications. Research in fault tolerant MPIs has led to the development of several fault tolerant MPI environments. Different approaches are being proposed using a variety of fault tolerant message passing protocols based on coordinated checkpointing or message logging. The most popular approach is with coordinated checkpointing. In the literature, two different concepts of coordinated checkpointing have been proposed: blocking and non-blocking. However they have never been compared quantitatively, and their respective scalabilities remain unknown. The contribution of this paper is to provide the first comparison between these two approaches and a study of their scalabilities. We have implemented the two approaches within the MPICH environments and evaluate their performance using the NAS parallel benchmarks. (C) 2007 Elsevier B.V. All rights reserved. C1 Univ Paris 11, LRI, UMR8623, F-91405 Orsay, France. INRIA Futurs, F-91893 Orsay, France. CNRS, F-91405 Orsay, France. Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Herault, T (reprint author), Univ Paris 11, LRI, UMR8623, F-91405 Orsay, France. EM lemarini@lri.fr NR 18 TC 30 Z9 30 U1 1 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-739X J9 FUTURE GENER COMP SY JI Futur. Gener. Comp. Syst. PD JAN PY 2008 VL 24 IS 1 BP 73 EP 84 DI 10.1016/j.future.2007.02.002 PG 12 WC Computer Science, Theory & Methods SC Computer Science GA 219NU UT WOS:000250092700010 ER PT S AU Wei, SH Dalpian, GM AF Wei, Su-Huai Dalpian, Gustavo M. BE Morkoc, H Litton, CW Chyi, JI Nanishi, Y Yoon, E TI Band coupling model of electron and hole mediated ferromagnetism in Semiconductors: The case of GaN SO GALLIUM NITRIDE MATERIALS AND DEVICES III SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Gallium Nitride Materials and Devices III CY JAN 21-24, 2008 CL San Jose, CA SP SPIE DE diluted magnetic semiconductors; band coupling model; ferromagnetism; hole; electron; GaN ID MOLECULAR-BEAM-EPITAXY; DILUTED MAGNETIC SEMICONDUCTORS; III-V; TEMPERATURE FERROMAGNETISM; SPINTRONICS; EXCHANGE; ALLOYS; GAMNN; (GA; MN AB Transition metal (TM) doped diluted magnetic semiconductors (DMSs) have many unique physical properties that can be used for magneto-optical and spintronic applications. The DMSs exhibit a wide range of magnetic ordering behavior. For example, Mn doped GaN can be either ferromagnetic or antiferromagnetic, depending on the Mn concentration, carrier density, or pressure. A unified band coupling model based on the p-d and d-d level repulsions between the TM and host elements are developed to explain the hole-induced ferromagnetism. We show that kinetic s-d coupling can be introduced through chemical ordering and strain, thus leading to electron-mediated ferromagnetism. Moreover, by using rare-earth elements (e.g., Gd) as magnetic dopants, the symmetry-allowed s-f coupling can also lead to a large splitting at the conduction band edge, producing electron-mediated ferromagnetism. Our model, therefore, provides a simple guideline for future band structure engineering of magnetic semiconductors. C1 [Wei, Su-Huai; Dalpian, Gustavo M.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Wei, SH (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. NR 42 TC 2 Z9 2 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 978-0-8194-7069-0 J9 PROC SPIE PY 2008 VL 6894 AR 68940L DI 10.1117/12.763494 PG 11 WC Engineering, Electrical & Electronic; Optics; Physics, Condensed Matter SC Engineering; Optics; Physics GA BHO16 UT WOS:000254733800010 ER PT S AU Casanova, S Dingus, BL Zhang, B AF Casanova, S. Dingus, B. L. Zhang, B. BE Galassi, M Palmer, D Fenimore, E TI Contribution of GRB emission to the GeV extragalactic diffuse gamma-ray flux SO GAMMA-RAY BURSTS 2007 SE AIP Conference Proceedings LA English DT Proceedings Paper CT Santa Fe Conference on Gamma-Ray Bursts CY NOV 05-09, 2007 CL Santa Fe, NM SP Los Alamos Natl Lab, NASA Goddard Space Flight Ctr, Univ Space Res Assoc DE VHE gamma rays; GRBs; extragalactic gamma ray background ID VERY-HIGH-ENERGY; BURST AFTERGLOWS; LONG-DURATION; TEV; LUMINOSITY; SPECTRUM; SEARCH; FIELDS; ARRAY AB TeV gamma rays emitted by GRBs are converted into electron-positron pairs via interactions with the extragalactic infrared radiation fields. In turn the pairs produced, whose trajectories are randomized by magnetic fields, will inverse Compton scatter off the cosmic microwave background photons. The beamed TeV gamma ray flux from GRBs is thus transformed into a GeV isotropic gamma my flux, which contributes to the total extragalactic gamma-ray background emission. Assuming a model for the extragalactic radiation fields, for the GRB redshift distribution and for the GRB luminosity function, we evaluate the contribution of the GRB prompt and scattered emissions to the measured extragalactic gamma-ray flux. To estimate this contribution we optimistically require that the energy flux at TeV energies is about 10 times stronger than the energy flux at MeV energies. The resulting gamma-ray diffuse background is only a small fraction of what is observed, allowing blazars and other sources to give the dominant contribution. C1 [Casanova, S.] Univ Roma La Sapienza, ICRA, Piazzale Aldo Moro 5, I-00185 Rome, Italy. [Casanova, S.] Max Planck Inst Kernphys, D-69117 Heidelberg, Germany. [Dingus, B. L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Zhang, B.] Univ Nevada, Dept Phys, Las Vegas, NV 89154 USA. RP Casanova, S (reprint author), Univ Roma La Sapienza, ICRA, Piazzale Aldo Moro 5, I-00185 Rome, Italy. RI Casanova, Sabrina/J-8935-2013; OI Casanova, Sabrina/0000-0002-6144-9122; Dingus, Brenda/0000-0001-8451-7450 NR 29 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 978-0-7354-0533-2 J9 AIP CONF PROC PY 2008 VL 1000 BP 40 EP + PG 2 WC Astronomy & Astrophysics; Instruments & Instrumentation SC Astronomy & Astrophysics; Instruments & Instrumentation GA BHT72 UT WOS:000256301400009 ER PT S AU Massaro, F Cutini, S Conciatore, ML Tramacere, A AF Massaro, F. Cutini, S. Conciatore, M. L. Tramacere, A. BE Galassi, M Palmer, D Fenimore, E TI Functional biases in GRB's spectral parameter correlations SO GAMMA-RAY BURSTS 2007 SE AIP Conference Proceedings LA English DT Proceedings Paper CT Santa Fe Conference on Gamma-Ray Bursts CY NOV 05-09, 2007 CL Santa Fe, NM SP Los Alamos Natl Lab, NASA Goddard Space Flight Ctr, Univ Space Res Assoc DE gamma-rays : bursts; gamma-rays : observations; X-rays : general; methods : statistical ID GAMMA-RAY BURSTS; INTRINSIC SPECTRA; PEAK ENERGY; ENERGETICS AB Gamma Ray Bursts (GRBs) show evidence of different spectral shapes, light curves, duration, host galaxies and they explode within a wide redshift range. However, the most of them seems to follow very tight correlations among some observed quantities relating to their energetic. If true, these correlations have significant implications on burst physics, giving constraints on theoretical models. Moreover, several suggestions have been made to use these correlations in order to calibrate GRBs as standard candles and to constrain the cosmological parameters. We investigate the cosmological relation between low energy alpha index in GRBs prompt spectra and the redshift z. We present a statistical analysis of the relation between the total isotropic energy E-iso and the peak energy E-p (also known as Amati relation) in GRBs spectra searching for possible functional biases. Possible implications on the E-iso vs E-P relation of the alpha vs (1 + z) correlation are evaluated. We used MonteCarlo simulations to evaluate how large are the effects of functional biases on the E-iso vs E-p. We show that high values of the linear correlation coefficent, up to about 0.8, in the E-iso vs E-p relation are obtained for random generated samples of GRBs, confirming the relevance of functional biases. Astrophysical consequences from E-iso vs E-p relation are then to be revised after a more accurate and possibly bias free analysis. C1 [Massaro, F.; Conciatore, M. L.] Harvard Smithsonian Astrophys Observ, 60 Garden St, Cambridge, MA 02138 USA. [Cutini, S.; Conciatore, M. L.] ASI Sci Data Ctr ASDC, Rome, Italy. [Tramacere, A.] Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. RP Massaro, F (reprint author), Harvard Smithsonian Astrophys Observ, 60 Garden St, Cambridge, MA 02138 USA. EM francesco_mss@yahoo.it RI Massaro, Francesco/L-9102-2016; OI Massaro, Francesco/0000-0002-1704-9850; Cutini, Sara/0000-0002-1271-2924; Tramacere, Andrea/0000-0002-8186-3793 NR 9 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 978-0-7354-0533-2 J9 AIP CONF PROC PY 2008 VL 1000 BP 84 EP + PG 2 WC Astronomy & Astrophysics; Instruments & Instrumentation SC Astronomy & Astrophysics; Instruments & Instrumentation GA BHT72 UT WOS:000256301400020 ER PT S AU Ohno, M Uehara, T Takahashi, T Fukazawa, Y Kira, C Hanabata, Y Yamaoka, K Nakagawa, YE Sugita, S Tamagawa, T Terada, Y Urata, Y Onda, K Kodaka, N Endo, A Suzuki, M Morigami, K Tashiro, MS Enoto, T Miyawamki, R Nakazawa, K Makishima, K Sonoda, E Yamauchi, M Maeno, S Tanaka, H Hara, R Kokubun, M Suzuki, M Takahashi, T Hong, S Murakami, T Tajima, H AF Ohno, M. Uehara, T. Takahashi, T. Fukazawa, Y. Kira, C. Hanabata, Y. Yamaoka, K. Nakagawa, Y. E. Sugita, S. Tamagawa, T. Terada, Y. Urata, Y. Onda, K. Kodaka, N. Endo, A. Suzuki, M. Morigami, K. Tashiro, M. S. Enoto, T. Miyawamki, R. Nakazawa, K. Makishima, K. Sonoda, E. Yamauchi, M. Maeno, S. Tanaka, H. Hara, R. Kokubun, M. Suzuki, M. Takahashi, T. Hong, S. Murakami, T. Tajima, H. BE Galassi, M Palmer, D Fenimore, E TI The spectral properties of the GRB prompt gamma-ray emission observed by the Suzaku Wide-band All-sky Monitor SO GAMMA-RAY BURSTS 2007 SE AIP Conference Proceedings LA English DT Proceedings Paper CT Santa Fe Conference on Gamma-Ray Bursts CY NOV 05-09, 2007 CL Santa Fe, NM SP Los Alamos Natl Lab, NASA Goddard Space Flight Ctr, Univ Space Res Assoc DE gamma-ray burst : observation : Suzaku ID BURSTS AB We report on the observational results of GRBs by the Suzaku Wide-band All-sky Monitor (WAM) in these two years since the Suzaku launch. Using the WAM data, we can investigate the spectral properties of the prompt emission of GRBs with a wider energy band and the highest sensitivity than any previous GRB missions. We found that the spectral properties between short and long GRBs, such as the spectral parameter distribution, the hardness ratio, the spectral lag, and the total emitting energy are clearly different even in the MeV energy band. This result implies that different progenitors or different bulk Lorentz factors of the ejecta are likely causes for the difference between these two classes. We also found that there is a strong correlation between the peak energy and the isotropic equivalent luminosity of the time-resolved spectra of the bright long GRB 061007, and found that this correlation can be separated well between rising and decay phase of each pulse. This indicates that the physical condition changes during the pulse phase of the burst. C1 [Ohno, M.; Uehara, T.; Takahashi, T.; Fukazawa, Y.; Kira, C.; Hanabata, Y.] Hiroshima Univ, 1-3-1 Kagamiyama, Hiroshima 7398526, Japan. [Yamaoka, K.; Nakagawa, Y. E.; Sugita, S.] Aoyama Gakuin Univ, Sagamihara, Kanagawa 2298558, Japan. [Tamagawa, T.] RIKEN, Inst Phys & Chem Res, Hirosawa, Saitama, Japan. [Terada, Y.; Urata, Y.; Onda, K.; Kodaka, N.; Endo, A.; Suzuki, M.; Morigami, K.; Tashiro, M. S.] Saitama Univ, Sakura, Saitama 3388570, Japan. [Enoto, T.; Miyawamki, R.; Nakazawa, K.; Makishima, K.] Univ Tokyo, Tokyo 1130033, Japan. [Sonoda, E.; Yamauchi, M.; Maeno, S.; Tanaka, H.; Hara, R.] Miyazaki Univ, Gakuen Kibanadai, Miyazaki 8892192, Japan. [Kokubun, M.; Suzuki, M.; Takahashi, T.] ISAS, JAXA, Sagamihara, Kanagawa 2298510, Japan. [Hong, S.] Nihon Univ, Funabashi, Chiba 2748501, Japan. [Murakami, T.] Kanazawa Univ, Kanazawa, Ishikawa 9201192, Japan. [Tajima, H.] Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. RP Ohno, M (reprint author), Hiroshima Univ, 1-3-1 Kagamiyama, Hiroshima 7398526, Japan. NR 14 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 978-0-7354-0533-2 J9 AIP CONF PROC PY 2008 VL 1000 BP 101 EP + PG 2 WC Astronomy & Astrophysics; Instruments & Instrumentation SC Astronomy & Astrophysics; Instruments & Instrumentation GA BHT72 UT WOS:000256301400023 ER PT S AU Ukwatta, TN Sakamoto, T Stamatikos, M Gehrels, N Dhuga, KS AF Ukwatta, T. N. Sakamoto, T. Stamatikos, M. Gehrels, N. Dhuga, K. S. BE Galassi, M Palmer, D Fenimore, E TI Screening high-z GRBs with BAT prompt emission properties SO GAMMA-RAY BURSTS 2007 SE AIP Conference Proceedings LA English DT Proceedings Paper CT Santa Fe Conference on Gamma-Ray Bursts CY NOV 05-09, 2007 CL Santa Fe, NM SP Los Alamos Natl Lab, NASA Goddard Space Flight Ctr, Univ Space Res Assoc DE gamma-ray bursts; high-z GRBs AB Detecting high-z GRBs is important for constraining the GRB formation rate, and tracing the history of re-ionization and metallicity of the universe. Based on the current sample of GRBs detected by Swift with known redshifts, we investigated the relationship between red-shift, and spectral and temporal characteristics, using the BAT event-by-event data. We found red-shift trends for the peak-flux-normalized temporal width T90, the light curve variance, the peak flux, and the photon index in simple power-law fit to the BAT event data. We have constructed criteria for screening GRBs with high red-shifts. This will enable us to provide a much faster alert to the GRB community of possible high-z bursts. C1 [Ukwatta, T. N.; Dhuga, K. S.] George Washington Univ, Washington, DC 20052 USA. [Ukwatta, T. N.; Sakamoto, T.; Stamatikos, M.; Gehrels, N.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Sakamoto, T.] Univ Maryland, Baltimore County, Baltimore, MD 21250 USA. [Stamatikos, M.] Oak Ridge Associated Univ, Oak Ridge, TN 37831 USA. RP Ukwatta, TN (reprint author), George Washington Univ, Washington, DC 20052 USA. EM tilan.ukwatta@gmail.com; Michael.Stamatikos-1@nasa.gov; gehrels@milkyway.gsfc.nasa.gov RI Gehrels, Neil/D-2971-2012 NR 3 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 978-0-7354-0533-2 J9 AIP CONF PROC PY 2008 VL 1000 BP 166 EP + PG 2 WC Astronomy & Astrophysics; Instruments & Instrumentation SC Astronomy & Astrophysics; Instruments & Instrumentation GA BHT72 UT WOS:000256301400039 ER PT S AU Middleditch, J AF Middleditch, John BE Galassi, M Palmer, D Fenimore, E TI The SN 1987A beam/jet and mystery spot: The rosetta stone for 99% of GRBs SO GAMMA-RAY BURSTS 2007 SE AIP Conference Proceedings LA English DT Proceedings Paper CT Santa Fe Conference on Gamma-Ray Bursts CY NOV 05-09, 2007 CL Santa Fe, NM SP Los Alamos Natl Lab, NASA Goddard Space Flight Ctr, Univ Space Res Assoc DE gamma-rays : bursts; pulsars : general; white dwarfs; supernovae : general; supernovae : individual (SN 1987A) ID GAMMA-RAY BURSTS; SUPERNOVA 1987A; SN-1987A; PULSAR; LMC; PHOTOMETRY; MERGER AB Very early measurements of SN 1987A(87A) indicate an intense beam of light and jet of particles (BJ), which still ran ahead of a slower, cooler, shrouding flow, cooled itself or lost the ability to do so, before impacting polar ejecta (PE) remaining from the binary merger which formed Sk -69 degrees 202. The photon beam scattered off/reprocessed in, without significantly penetrating, the PE, producing 2 x 10(39) ergs s(-1) for about a day at day 8.0, the same delay predicted from the 0.059 arc s offset (17 light-days in projection) of the "Mystery Spot" (MS), and from the ring/bipolar geometry (the many other details of 87A also strongly suggest that it resulted from a merger of 2 stellar cores of a common envelope (CE) binary, i.e., a "double-degenerate" [DD] event). This scattered flux then decayed for a day with a timescale consistent with the UV flash, after which the luminosity exceeded the day 8.0 value by day 10.0, and continued rising linearly with time, indicating: (1) particles from die jet penetrating into the PE, with (2) the fastest traveling at >0.9 c, and (3) that both the beam and jet had collimation factors > 10(4). Even having to penetrate the CE of Sk -69 degrees 202, the BJ may have produced a full long/soft gamma-ray burst (lGRB) upon impacting the PE. Because DD can produce lGRBs, and must be the dominant SN mechanism in elliptical galaxies, where only short/hard GRBs (sGRBs) have been observed, DD without CE and PE also produces sGRBs, and thus the pre/non-CE/PE photon spectrum of 99% of GRBs is known, and neutron star (NS)-NS mergers may not make GRBs as we know them, and/or be as common as previously thought. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Middleditch, J (reprint author), Los Alamos Natl Lab, MS B265, Los Alamos, NM 87545 USA. EM jon@lanl.gov NR 19 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 978-0-7354-0533-2 J9 AIP CONF PROC PY 2008 VL 1000 BP 350 EP 353 PG 4 WC Astronomy & Astrophysics; Instruments & Instrumentation SC Astronomy & Astrophysics; Instruments & Instrumentation GA BHT72 UT WOS:000256301400080 ER PT S AU Sugita, S Yamaoka, K Ohno, M Tashiro, M Pal'shin, V Golenetskii, S Sakamoto, T Cummings, J Krimm, H Stamatikos, M Parsons, A Barthelmy, S Gehrels, N AF Sugita, Satoshi Yamaoka, Kazutaka Ohno, Masanori Tashiro, Makoto Pal'shin, Valentin Golenetskii, Sergel Sakamoto, Takanori Cummings, Jay Krimm, Hans Stamatikos, Michael Parsons, Ann Barthelmy, Scott Gehrels, Neil BE Galassi, M Palmer, D Fenimore, E TI Suzaku-WAM, Konus-Wind, and Swift-BAT observations of the prompt emission of the highest redshift GRB 050904 SO GAMMA-RAY BURSTS 2007 SE AIP Conference Proceedings LA English DT Proceedings Paper CT Santa Fe Conference on Gamma-Ray Bursts CY NOV 05-09, 2007 CL Santa Fe, NM SP Los Alamos Natl Lab, NASA Goddard Space Flight Ctr, Univ Space Res Assoc DE gamma-ray burst; observation; Suzaku ID GAMMA-RAY BURST; PEAK ENERGY; AFTERGLOW; SPECTRUM AB We present the results of the highest redshift GRB 050904 from joint spectral analyses among Swift/BAT, Konus-Wind and Suzaku-WAM covering a wide energy range of 15-5000 keV The peak energy was first measured at 338(-93)(+168) keV, corresponding to 2465(-678)(+1225) keV in the source frame. This is one of the highest value that has been ever meaured. The derived spectral and energetic parameters are consisitent with the Amati relation, but not with the Ghirlada relation. This implies that the circumburst density of this burst might be larger than the nominal value, as suggested by other wavelength observations. We also found that the burst could be an outlier in Yonetoku relation. C1 [Sugita, Satoshi; Yamaoka, Kazutaka] Aoyama Gakuin Univ, 5-10-1 Fuchinobe, Kanagawa 2298558, Japan. [Sugita, Satoshi] Inst Phys & Chem Res, Wako, Saitama 3510198, Japan. [Ohno, Masanori] Hiroshima Univ, Sch Sci, Dept Phys Sci, Higashihiroshima 7398426, Japan. [Tashiro, Makoto] Saitama Univ, Dept Phys, Saitama 3388570, Japan. [Pal'shin, Valentin; Golenetskii, Sergel] AF Ioffe Phys Tech Inst, Expt Astrophys Lab, St Petersburg 194021, Russia. [Sakamoto, Takanori; Cummings, Jay; Krimm, Hans; Stamatikos, Michael; Parsons, Ann; Barthelmy, Scott; Gehrels, Neil] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Sakamoto, Takanori; Stamatikos, Michael] Oak Ridge Associated Univ, Oak Ridge, TN 37831 USA. [Cummings, Jay] Univ Maryland, Joint Ctr Astrophys, Baltimore, MD 21250 USA. [Krimm, Hans] Univ Space Res Assoc, Columbia, MD 21044 USA. RP Sugita, S (reprint author), Aoyama Gakuin Univ, 5-10-1 Fuchinobe, Kanagawa 2298558, Japan. EM sugita@phys.aoyama.ac.jp; ohno@hep01.hepl.hiroshima-u.ac.jp; tashiro@phy.saitamzi-u.ac.jp; val@mail.ioffe.ru; hans.krimm@nasa.gov; michael.Stamatikos-1@nasa.gov; scott@milkyway.gsfc.nasa.gov; gehrels@milkyway.gsfc.nasa.gov RI Barthelmy, Scott/D-2943-2012; Gehrels, Neil/D-2971-2012; Parsons, Ann/I-6604-2012; Pal'shin, Valentin/F-3973-2014; Golenetskii, Sergey/B-3818-2015 NR 8 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 978-0-7354-0533-2 J9 AIP CONF PROC PY 2008 VL 1000 BP 354 EP + PG 2 WC Astronomy & Astrophysics; Instruments & Instrumentation SC Astronomy & Astrophysics; Instruments & Instrumentation GA BHT72 UT WOS:000256301400081 ER PT S AU Panaitescu, A AF Panaitescu, A. BE Galassi, M Palmer, D Fenimore, E TI Direct and bulk-scattered forward-shock emissions: sources of X-ray afterglow diversity SO GAMMA-RAY BURSTS 2007 SE AIP CONFERENCE PROCEEDINGS LA English DT Proceedings Paper CT Santa Fe Conference on Gamma-Ray Bursts CY NOV 05-09, 2007 CL Santa Fe, NM SP Los Alamos Natl Lab, NASA Goddard Space Flight Ctr, Univ Space Res Assoc DE gamma-ray bursts; shock-waves; non-thermal emission ID BURST AFTERGLOWS; LIGHT-CURVES; THEORETICAL IMPLICATIONS; SWIFT; BREAKS; MODEL AB I describe the modifications to the standard forward-shock model required to account for the X-ray light-curve features discovered by Swift in the early afterglow emission and propose that a delayed, pair-enriched, and highly relativistic outflow, which bulk-scatters the forward-shock synchrotron emission, yields sometimes a brighter X-ray emission, producing short-lived X-ray flares, X-ray light-curve plateaus ending with chromatic breaks, and fast post-plateau decays. C1 Los Alamos Natl Lab, ISR 1, Los Alamos, NM 87545 USA. RP Panaitescu, A (reprint author), Los Alamos Natl Lab, ISR 1, POB 1663, Los Alamos, NM 87545 USA. NR 20 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 978-0-7354-0533-2 J9 AIP CONF PROC PY 2008 VL 1000 BP 433 EP 438 PG 6 WC Astronomy & Astrophysics; Instruments & Instrumentation SC Astronomy & Astrophysics; Instruments & Instrumentation GA BHT72 UT WOS:000256301400098 ER PT S AU Williams, GG Milne, PA Park, HS Barthelmy, SD Hartmann, DH Updike, A Hurley, K AF Williams, G. G. Milne, P. A. Park, H. S. Barthelmy, S. D. Hartmann, D. H. Updike, A. Hurley, K. BE Galassi, M Palmer, D Fenimore, E TI The robotic Super-LOTIS telescope: Results & future plans SO GAMMA-RAY BURSTS 2007 SE AIP Conference Proceedings LA English DT Proceedings Paper CT Santa Fe Conference on Gamma-Ray Bursts CY NOV 05-09, 2007 CL Santa Fe, NM SP Los Alamos Natl Lab, NASA Goddard Space Flight Ctr, Univ Space Res Assoc DE Super-LOTIS; gamma-ray bursts; afterglows ID GAMMA-RAY BURSTS; OPTICAL TRANSIENT; AFTERGLOW; SEARCH; SYSTEM AB We provide an overview of the robotic Super-LOTIS (Livermore Optical Transient Imaging System) telescope and present results from gamma-ray burst (GRB) afterglow observations using Super-LOTIS and other Steward Observatory telescopes. The 0.6-m Super-LOTIS telescope is a fully robotic system dedicated to the measurement of prompt and early time optical emission from GRBs. The system began routine operations from its Steward Observatory site atop Kitt Peak in April 2000 and currently operates every clear night. The telescope is instrumented with an optical CCD camera and a four position filter wheel. It is capable of observing Swift Burst Alert Telescope (BAT) error boxes as early or earlier than the Swift UV/Optical Telescope (UVOT). Super-LOTIS complements the UVOT observations by providing early R- and I-band imaging. We also use the suite of Steward Observatory telescopes including the 1.6-m Kuiper, the 2.3-m Bok, the 6.5-m MMT, and the 8.4-m Large Binocular Telescope to perform follow-up optical and near infrared observations of GRB afterglows. These follow-up observations have traditionally required human intervention but we are currently working to automate the 1.6-m Kuiper telescope to minimize its response time. C1 [Williams, G. G.] Univ Arizona, Multiple Mirror Telescope Observ, POB 210065, Tucson, AZ 85721 USA. [Milne, P. A.] Steward Observ, Tucson, AZ 85721 USA. [Park, H. S.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Barthelmy, S. D.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Hartmann, D. H.; Updike, A.] Clemson Univ, Dept Phys & Astron, Clemson, SC 29634 USA. [Hurley, K.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. RP Williams, GG (reprint author), Univ Arizona, Multiple Mirror Telescope Observ, POB 210065, Tucson, AZ 85721 USA. EM gwilliams@as.arizona.edu; scott@milkyway.gsfc.nasa.gov; hdieter@clemson.edu; aupdike@clemson.edu; khurley@ssl.berkeley.edu RI Barthelmy, Scott/D-2943-2012 FU NASA [06-SWIFT306-0067] FX This work was supported in part by NASA Proposal Number 06-SWIFT306-0067. NR 9 TC 10 Z9 10 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 978-0-7354-0533-2 J9 AIP CONF PROC PY 2008 VL 1000 BP 535 EP + PG 2 WC Astronomy & Astrophysics; Instruments & Instrumentation SC Astronomy & Astrophysics; Instruments & Instrumentation GA BHT72 UT WOS:000256301400118 ER PT S AU Hoover, AS Kippen, RM Wallace, MS Pendleton, GN Fishman, GJ Meegan, CA Kouveliotou, C Wilson-Hodge, CA Bissaldi, E Diehl, R Greiner, J Lichti, GG von Kienlin, A Steinle, H Bhat, PN Briggs, MS Connaughton, V Paciesas, WS Preece, RD AF Hoover, A. S. Kippen, R. M. Wallace, M. S. Pendleton, G. N. Fishman, G. J. Meegan, C. A. Kouveliotou, C. Wilson-Hodge, C. A. Bissaldi, E. Diehl, R. Greiner, J. Lichti, G. G. von Kienlin, A. Steinle, H. Bhat, P. N. Briggs, M. S. Connaughton, V. Paciesas, W. S. Preece, R. D. BE Galassi, M Palmer, D Fenimore, E TI GLAST Burst Monitor instrument simulation and modeling SO GAMMA-RAY BURSTS 2007 SE AIP Conference Proceedings LA English DT Proceedings Paper CT Santa Fe Conference on Gamma-Ray Bursts CY NOV 05-09, 2007 CL Santa Fe, NM SP Los Alamos Natl Lab, NASA Goddard Space Flight Ctr, Univ Space Res Assoc DE GLAST burst monitor simulation modeling AB The GLAST Burst Monitor (GBM) is designed to provide wide field of view observations of gamma-ray bursts and other fast transient sources in the energy range 10 keV to 30 MeV. The GBM is composed of several unshielded and uncollimated scintillation detectors (twelve NaI and two BGO) that are widely dispersed about the GLAST spacecraft. As a result reconstructing source locations, energy spectra, and temporal properties from GBM data requires detailed knowledge of the detectors' response to both direct radiation as well as that scattered from the spacecraft and Earth's atmosphere. This full GBM instrument response will be captured in the form of a response function database that is derived from computer modeling and simulation. The simulation system is based on the GEANT4 Monte Carlo radiation transport simulation toolset. C1 [Hoover, A. S.; Kippen, R. M.; Wallace, M. S.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM USA. [Pendleton, G. N.] Dynet Inc, Huntsville, AL USA. [Fishman, G. J.; Meegan, C. A.; Kouveliotou, C.] NASA, Natl Space Sci Technol Ctr, Huntsville, AL USA. [Bissaldi, E.; Diehl, R.; Greiner, J.; Lichti, G. G.; von Kienlin, A.; Steinle, H.] Max Planck Inst Extraterrestrisce Phys, Garching, Germany. [Bhat, P. N.; Briggs, M. S.; Connaughton, V.; Paciesas, W. S.; Preece, R. D.] Univ Alabama Huntsville, Natl Space Sci Technol, Huntsville, AL USA. RP Hoover, AS (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM USA. EM ahoover@lanl.gov; FISHMAN@MSFC.NASA.GOV; Chip.meegan@nasa.gov; Chryssa.Kouveliotou@nasa.gov; jcg@mpe.mpg.de; azk@mpe.mpg.de; Michael.Briggs@nasa.gov; valerie@nasa.gov; Rob.Preece@nasa.gov RI Bissaldi, Elisabetta/K-7911-2016; OI Bissaldi, Elisabetta/0000-0001-9935-8106; Preece, Robert/0000-0003-1626-7335 NR 5 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 978-0-7354-0533-2 J9 AIP CONF PROC PY 2008 VL 1000 BP 565 EP + PG 2 WC Astronomy & Astrophysics; Instruments & Instrumentation SC Astronomy & Astrophysics; Instruments & Instrumentation GA BHT72 UT WOS:000256301400125 ER PT S AU Meegan, C Bhat, N Bissaldi, E Briggs, M Connaughton, V Diehl, R Fishman, G Greiner, J von Kienlin, A Kippen, RM Kouveliotou, C Lichti, G Paciesas, W Preece, R Stelnle, H Wilson-Hodge, C AF Meegan, Charles Bhat, Narayana Bissaldi, Elisabetta Briggs, Michael Connaughton, Valerie Diehl, Roland Fishman, Gerald Greiner, Jochen von Kienlin, Andreas Kippen, R. Marc Kouveliotou, Chryssa Lichti, Giselher Paciesas, William Preece, Robert Stelnle, Helmut Wilson-Hodge, Colleen BE Galassi, M Palmer, D Fenimore, E TI Expected performance of the GLAST burst monitor SO GAMMA-RAY BURSTS 2007 SE AIP Conference Proceedings LA English DT Proceedings Paper CT Santa Fe Conference on Gamma-Ray Bursts CY NOV 05-09, 2007 CL Santa Fe, NM SP Los Alamos Natl Lab, NASA Goddard Space Flight Ctr, Univ Space Res Assoc DE gamma-ray bursts; gamma-ray detectors AB The GLAST Burst Monitor (GBM) will enhance LAT observations of GRBs by extending the spectral coverage from the LAT threshold down to similar to 8 keV, and will provide a trigger for re-orienting the spacecraft to observe delayed emission from selected bursts outside the LAT field of view. GBM consists of twelve NaI scintillation detectors operating in the 8 keV to 1 McV energy range and two BGO scintillation detectors operating in the 150 keV to 30 MeV energy range. Detector resolution, effective area, and angular response have been determined by calibrations. Analyses indicate that the on-board burst threshold will be similar to 0.7 photons cm(-2)s(-1) and the on-board burst localization accuracy will typically be better than 8 degrees. C1 [Meegan, Charles; Fishman, Gerald; Kouveliotou, Chryssa; Wilson-Hodge, Colleen] NASA, George C Marshall Space Flight Ctr, Huntsville, AL 35812 USA. [Bhat, Narayana; Briggs, Michael; Connaughton, Valerie; Paciesas, William; Preece, Robert] Univ Alabama, Huntsville, AL 35899 USA. [Bissaldi, Elisabetta; Diehl, Roland; Greiner, Jochen; von Kienlin, Andreas; Lichti, Giselher; Stelnle, Helmut] Max Planck Inst Extraterr Phys, Garching, Germany. [Kippen, R. Marc] Los Alamos Natl Lab, Los Alamos, NM USA. RP Meegan, C (reprint author), NASA, George C Marshall Space Flight Ctr, Huntsville, AL 35812 USA. RI Bissaldi, Elisabetta/K-7911-2016; OI Bissaldi, Elisabetta/0000-0001-9935-8106; Preece, Robert/0000-0003-1626-7335 FU Bundesministerium fur Bildung und Forschung (BMBF) via the Deutsches Zentrum fur Luft- und Raumfahrt (DLR) [50 QV 0301]; U.S.Department of Energy; National Nuclear Security Administration FX The GBM science team gratefully acknowledges the outstanding engineering support from our institutions and contractors,particularly Jena-Optronik, Astrium,and South-west Research Institute.Support for the German contribution was provided by the Bundesministerium fur Bildung und Forschung (BMBF) via the Deutsches Zentrum fur Luft- und Raumfahrt (DLR)under contract number 50 QV 0301.RMK acknowledges the support of the U.S.Department of Energy, National Nuclear Security Administration.The successful development of GBM is inlarge part due to the skill and dedication of our Lead Systems Engineer during the development phase,Mr.Fred Berry(1955-2006). NR 0 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 978-0-7354-0533-2 J9 AIP CONF PROC PY 2008 VL 1000 BP 573 EP + PG 2 WC Astronomy & Astrophysics; Instruments & Instrumentation SC Astronomy & Astrophysics; Instruments & Instrumentation GA BHT72 UT WOS:000256301400127 ER PT S AU Falcone, AD Williams, DA Baring, MG Blandford, R Connaughton, V Coppi, P Dermer, C Dingus, B Fryer, C Gehrels, N Granot, J Horan, D Katz, JI Kuehn, K Meszaros, P Norris, J Parkinson, PS Pe'er, A Ramirez-Ruiz, E Razzaque, S Wang, X Zhang, B AF Falcone, A. D. Williams, D. A. Baring, M. G. Blandford, R. Connaughton, V. Coppi, P. Dermer, C. Dingus, B. Fryer, C. Gehrels, N. Granot, J. Horan, D. Katz, J. I. Kuehn, K. Meszaros, P. Norris, J. Parkinson, P. Saz Pe'er, A. Ramirez-Ruiz, E. Razzaque, S. Wang, X. Zhang, B. BE Galassi, M Palmer, D Fenimore, E TI The gamma ray burst section of the white paper on the status and future of very high energy gamma ray astronomy: A brief preliminary report SO GAMMA-RAY BURSTS 2007 SE AIP Conference Proceedings LA English DT Proceedings Paper CT Santa Fe Conference on Gamma-Ray Bursts CY NOV 05-09, 2007 CL Santa Fe, NM SP Los Alamos Natl Lab, NASA Goddard Space Flight Ctr, Univ Space Res Assoc DE GRBs; VBE gamma-rays ID GRB 970417A; 1ST SURVEY; FLARES; SWIFT; AFTERGLOWS; EMISSION; TEV AB This is a short report on the preliminary findings of the gamma ray burst (GRB) working group for the white paper on the status and future of very high energy (VBE; >50 GeV) gamma-ray astronomy. The white paper discusses the status of past and current attempts to observe GRBs at GeV-TeV energies, including a handful of low-significance, possible detections. The white paper concentrates on the potential of future ground-based gamma-ray experiments to observe the highest energy emission ever recorded for GRBs, particularly for those that are nearby and have high Lorentz factors in the GRB jet. It is clear that the detection of VBE emission would have strong implications for GRB models, as well as cosmic ray origin. In particular, the extended emission phase (including both afterglow emission and possible flaring) of nearby long GRBs could provide the best possibility for detection. The difficult-to-obtain observations during the prompt phase of nearby long GRBs and short GRBs could also provide particularly strong constraints on the opacity and bulk Lorentz factors surrounding the acceleration site. The synergy with upcoming and existing observatories will, of course, be critical for both identification of GRBs and for multiwavelength/multi messenger studies. C1 [Falcone, A. D.; Meszaros, P.; Wang, X.] Penn State Univ, 525 Davey Lab, University Pk, PA 16802 USA. [Williams, D. A.; Parkinson, P. Saz] Univ Calif Santa Cruz, Santa Cruz Inst Particle Phys, Santa Cruz, CA 95064 USA. [Baring, M. G.] Rice Univ, Dept Space Phys & Astron, Houston, TX 77251 USA. [Blandford, R.; Granot, J.] Stanford Univ, Stanford Linear Accelerator Ctr, KIPAC, Stanford, CA 94309 USA. [Connaughton, V.] Natl Space Sci & Technol Ctr, Huntsville, AL 35805 USA. [Coppi, P.] Yale Univ, Dept Astron, New Haven, CT 06520 USA. [Dermer, C.; Razzaque, S.] US Navy, Res Lab, Washington, DC 20375 USA. [Dingus, B.; Fryer, C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Gehrels, N.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Horan, D.] Argonne Natl Lab, Argonne, IL 60439 USA. [Katz, J. I.] Washington Univ, St Louis, MO 63130 USA. [Kuehn, K.] Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. [Norris, J.] NASA, Ames Res Ctr, Moffett Field, CA 94035 USA. [Pe'er, A.] Space Telescope Sci Inst, Baltimore, MD 21218 USA. [Ramirez-Ruiz, E.] Univ Calif Santa Cruz, Dept Astron, Santa Cruz, CA 95064 USA. [Zhang, B.] Univ Nevada, Dept Phys & Astron, Las Vegas, NV 89154 USA. RP Falcone, AD (reprint author), Penn State Univ, 525 Davey Lab, University Pk, PA 16802 USA. RI Gehrels, Neil/D-2971-2012; OI Dingus, Brenda/0000-0001-8451-7450 NR 18 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 978-0-7354-0533-2 J9 AIP CONF PROC PY 2008 VL 1000 BP 611 EP + PG 2 WC Astronomy & Astrophysics; Instruments & Instrumentation SC Astronomy & Astrophysics; Instruments & Instrumentation GA BHT72 UT WOS:000256301400136 ER PT B AU Li, YA Dongarra, J Seymour, K YarKhan, A AF Li, Yinan Dongarra, Jack Seymour, Keith YarKhan, Asim GP IEEE Comp Soc TI Request Sequencing: Enabling Workflow for Efficient Problem Solving in GridSolve SO GCC 2008: SEVENTH INTERNATIONAL CONFERENCE ON GRID AND COOPERATIVE COMPUTING, PROCEEDINGS LA English DT Proceedings Paper CT 7th International Conference on Grid and Cooperative Computing CY OCT 24-26, 2008 CL Shenzhen, PEOPLES R CHINA SP Chinese Acad Sci, Shenzhen Inst Adv Technol, Dawning Informat Ind Co Ltd, Chinese Natl Grid, European & Chinese Cooperat Grid, Chinese Acad Sci, Chinese Acad Engn AB GridSolve employs a standard RPC-based model for solving computational problems. There are two deficiencies associated with this model when a computational problem essentially forms a workflow consisting of a set of tasks, among which there exist data dependencies. First, intermediate results are passed among tasks going through the client, resulting in additional data transport between the client and the servers, which is pure overhead. Second, since the execution of each individual task is a separate RPC session, it is difficult to exploit the potential parallelism among tasks. This paper presents a request sequencing technique that eliminates those limitations and solves the above problems. The core features of this work include automatic DAG construction and data dependency analysis, direct inter-server data transfer, and the capability of parallel task execution. C1 [Li, Yinan; Dongarra, Jack; Seymour, Keith; YarKhan, Asim] Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA. [Dongarra, Jack] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Dongarra, Jack] Univ Manchester, Manchester M139PL, Lancs, England. RP Li, YA (reprint author), Univ Tennessee, Dept Elect Engn & Comp Sci, Knoxville, TN 37996 USA. EM yili@eecs.utk.edu; dongarra@eecs.utk.edu; seymour@eecs.utk.edu; yarkhan@eecs.utk.edu FU National Aeronautics and Space Administration's Earth Science Technology Office [NCC5-626] FX This research made use of Montage, funded by the National Aeronautics and Space Administration's Earth Science Technology Office, Computation Technologies Project, under Cooperative Agreement Number NCC5-626 between NASA and the California Institute of Technology. Montage is maintained by the NASA/IPAC Infrared Science Archive. NR 12 TC 1 Z9 1 U1 0 U2 2 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA BN 978-0-7695-3449-7 PY 2008 BP 449 EP + DI 10.1109/GCC.2008.97 PG 3 WC Computer Science, Theory & Methods SC Computer Science GA BIT11 UT WOS:000262480400066 ER PT J AU Abi-Haidar, A Kaur, J Maguitman, A Radivojac, P Rechtsteiner, A Verspoor, K Wang, ZP Rocha, LM AF Abi-Haidar, Alaa Kaur, Jasleen Maguitman, Ana Radivojac, Predrag Rechtsteiner, Andreas Verspoor, Karin Wang, Zhiping Rocha, Luis M. TI Uncovering protein interaction in abstracts and text using a novel linear model and word proximity networks SO GENOME BIOLOGY LA English DT Article ID ANNOTATION AB Background: We participated in three of the protein-protein interaction subtasks of the Second BioCreative Challenge: classification of abstracts relevant for protein-protein interaction (interaction article subtask [IAS]), discovery of protein pairs (interaction pair subtask [IPS]), and identification of text passages characterizing protein interaction (interaction sentences subtask [ISS]) in full-text documents. We approached the abstract classification task with a novel, lightweight linear model inspired by spam detection techniques, as well as an uncertainty-based integration scheme. We also used a support vector machine and singular value decomposition on the same features for comparison purposes. Our approach to the full-text subtasks (protein pair and passage identification) includes a feature expansion method based on word proximity networks. Results: Our approach to the abstract classification task (IAS) was among the top submissions for this task in terms of measures of performance used in the challenge evaluation (accuracy, F-score, and area under the receiver operating characteristic curve). We also report on a web tool that we produced using our approach: the Protein Interaction Abstract Relevance Evaluator (PIARE). Our approach to the full-text tasks resulted in one of the highest recall rates as well as mean reciprocal rank of correct passages. Conclusion: Our approach to abstract classification shows that a simple linear model, using relatively few features, can generalize and uncover the conceptual nature of protein-protein interactions from the bibliome. Because the novel approach is based on a rather lightweight linear model, it can easily be ported and applied to similar problems. In full-text problems, the expansion of word features with word proximity networks is shown to be useful, although the need for some improvements is discussed. C1 [Abi-Haidar, Alaa; Kaur, Jasleen; Radivojac, Predrag; Rocha, Luis M.] Indiana Univ, Sch Informat, Bloomington, IN 47405 USA. [Abi-Haidar, Alaa; Rocha, Luis M.] Fundacao Luso Americana Desenvolvimento Computat, Inst Gulbenkian Ciencia, P-2780156 Oeiras, Portugal. [Maguitman, Ana] Univ Nacl Sur, Dept Ciencias & Ingn Computac, Buenos Aires, DF, Argentina. [Rechtsteiner, Andreas] Indiana Univ, Ctr Genom & Bioinformat, Bloomington, IN 47405 USA. [Verspoor, Karin] Los Alamos Natl Lab, Modeling Algorithms & Informat Grp, Los Alamos, NM 87545 USA. [Wang, Zhiping] Indiana Univ, Sch Med, Bloomington, IN 47405 USA. RP Rocha, LM (reprint author), Indiana Univ, Sch Informat, 107 S Indiana Ave, Bloomington, IN 47405 USA. EM rocha@indiana.edu RI Verspoor, Karin/G-6034-2016; OI Verspoor, Karin/0000-0002-8661-1544; Kaur, Jasleen/0000-0002-1243-1452; Rocha, Luis/0000-0001-9402-887X FU NSF [CDA-9601632] FX We would like to thank Santiago Schnell for graciously providing us with additional proteomics-related articles not containing PPI information. We would also like to thank the FLAD Computational Biology Collaboratorium at the Gulbenkian Institute in Oeiras, Portugal, for hosting and providing facilities used to conduct part of this research. It was at the collaboratorium that we interacted with Florentino Riverola, whose SpamHunting system inspired our approach to the IAS task, and who was most helpful in discussing his system with us. We are also grateful to Indiana University's Research and Technical Services for technical support. The AVIDD Linux Clusters used in our analysis are funded in part by NSF Grant CDA-9601632. NR 24 TC 13 Z9 13 U1 0 U2 6 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1474-760X J9 GENOME BIOL JI Genome Biol. PY 2008 VL 9 SU 2 AR S11 DI 10.1186/gb-2008-9-S2-S11 PG 19 WC Biotechnology & Applied Microbiology; Genetics & Heredity SC Biotechnology & Applied Microbiology; Genetics & Heredity GA 602YB UT WOS:000278173900011 PM 18834489 ER PT J AU Allen, JE Gardner, SN Slezak, TR AF Allen, Jonathan E. Gardner, Shea N. Slezak, Tom R. TI DNA signatures for detecting genetic engineering in bacteria SO GENOME BIOLOGY LA English DT Article ID SHUTTLE CLONING VECTOR; SEQUENCE-ANALYSIS; CRYPTIC-PLASMID; CONSTRUCTION; ALIGNMENT; GENOME; OLIGONUCLEOTIDES; EXPRESSION; SYSTEMS AB Using newly designed computational tools we show that, despite substantial shared sequences between natural plasmids and artificial vector sequences, a robust set of DNA oligomers can be identified that can differentiate artificial vector sequences from all available background viral and bacterial genomes and natural plasmids. We predict that these tools can achieve very high sensitivity and specificity rates for detecting new unsequenced vectors in microarray-based bioassays. Such DNA signatures could be important in detecting genetically engineered bacteria in environmental samples. C1 [Allen, Jonathan E.; Gardner, Shea N.; Slezak, Tom R.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Allen, JE (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM allen99@llnl.gov NR 35 TC 4 Z9 5 U1 1 U2 3 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1474-760X J9 GENOME BIOL JI Genome Biol. PY 2008 VL 9 IS 3 AR R56 DI 10.1186/gb-2008-9-3-r56 PG 10 WC Biotechnology & Applied Microbiology; Genetics & Heredity SC Biotechnology & Applied Microbiology; Genetics & Heredity GA 283TN UT WOS:000254659500019 PM 18348716 ER PT J AU Haas, BJ Salzberg, SL Zhu, W Pertea, M Allen, JE Orvis, J White, O Buell, CR Wortman, JR AF Haas, Brian J. Salzberg, Steven L. Zhu, Wei Pertea, Mihaela Allen, Jonathan E. Orvis, Joshua White, Owen Buell, C. Robin Wortman, Jennifer R. TI Automated eukaryotic gene structure annotation using EVidenceModeler and the program to assemble spliced alignments SO GENOME BIOLOGY LA English DT Article ID HIDDEN MARKOV MODEL; FULL-LENGTH CDNAS; GENOMIC DNA; ARABIDOPSIS GENOME; MULTIPLE SOURCES; MESSENGER-RNA; PREDICTION; SEQUENCES; SET; IDENTIFICATION AB EVidenceModeler (EVM) is presented as an automated eukaryotic gene structure annotation tool that reports eukaryotic gene structures as a weighted consensus of all available evidence. EVM, when combined with the Program to Assemble Spliced Alignments (PASA), yields a comprehensive, configurable annotation system that predicts protein-coding genes and alternatively spliced isoforms. Our experiments on both rice and human genome sequences demonstrate that EVM produces automated gene structure annotation approaching the quality of manual curation. C1 [Haas, Brian J.; Zhu, Wei; Orvis, Joshua; White, Owen; Buell, C. Robin; Wortman, Jennifer R.] J Craig Venter Inst, Inst Genom Res, Rockville, MD 20850 USA. [Haas, Brian J.] MIT, Braod Inst, Cambridge, MA 02142 USA. [Salzberg, Steven L.; Pertea, Mihaela; Allen, Jonathan E.] Univ Maryland, Dept Comp Sci, Ctr Bioinformat & Computat Biol, College Pk, MD 20742 USA. [Allen, Jonathan E.] Lawrence Livermore Natl Lab, Computat Directorate, Livermore, CA 94550 USA. [Orvis, Joshua; Wortman, Jennifer R.] Univ Maryland, Sch Med, Inst Genom Sci, Baltimore, MD 21201 USA. [Buell, C. Robin] Michigan State Univ, Dept Plant Biol, E Lansing, MI 48824 USA. RP Haas, BJ (reprint author), J Craig Venter Inst, Inst Genom Res, 9712 Med Ctr Dr, Rockville, MD 20850 USA. EM bhaas@broad.mit.edu RI Salzberg, Steven/F-6162-2011; OI Salzberg, Steven/0000-0002-8859-7432; Wortman, Jennifer/0000-0002-8713-1227 FU NIAID NIH HHS [N01AI30071]; NIGMS NIH HHS [R01 GM083873, R01 GM083873-05]; NLM NIH HHS [R01 LM006845, R01 LM006845-08, R01-LM006845] NR 49 TC 183 Z9 188 U1 1 U2 15 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1474-760X J9 GENOME BIOL JI Genome Biol. PY 2008 VL 9 IS 1 AR R7 DI 10.1186/gb-2008-9-1-r7 PG 22 WC Biotechnology & Applied Microbiology; Genetics & Heredity SC Biotechnology & Applied Microbiology; Genetics & Heredity GA 271HP UT WOS:000253779800015 PM 18190707 ER PT J AU Mons, B Ashburner, M Chichester, C van Mulligen, E Weeber, M den Dunnen, J van Ommen, GJ Musen, M Cockerill, M Hermjakob, H Mons, A Packer, A Pacheco, R Lewis, S Berkeley, A Melton, W Barris, N Wales, J Meijssen, G Moeller, E Roes, PJ Borner, K Bairoch, A AF Mons, Barend Ashburner, Michael Chichester, Christine van Mulligen, Erik Weeber, Marc den Dunnen, Johan van Ommen, Gert-Jan Musen, Mark Cockerill, Matthew Hermjakob, Henning Mons, Albert Packer, Abel Pacheco, Roberto Lewis, Suzanna Berkeley, Alfred Melton, William Barris, Nickolas Wales, Jimmy Meijssen, Gerard Moeller, Erik Roes, Peter Jan Borner, Katy Bairoch, Amos TI Calling on a million minds for community annotation in WikiProteins SO GENOME BIOLOGY LA English DT Article ID DATABASE; INFORMATION; GENE; DISAMBIGUATION; ASSOCIATIONS; DISCOVERY; RESOURCE; ONTOLOGY AB WikiProteins enables community annotation in a Wiki-based system. Extracts of major data sources have been fused into an editable environment that links out to the original sources. Data from community edits create automatic copies of the original data. Semantic technology captures concepts co-occurring in one sentence and thus potential factual statements. In addition, indirect associations between concepts have been calculated. We call on a 'million minds' to annotate a 'million concepts' and to collect facts from the literature with the reward of collaborative knowledge discovery. The system is available for beta testing at http://www.wikiprofessional.org. A preview of the version highlighted by WikiProfessional is available at: http://conceptweblinker.wikiprofessional.org/default.py?url=nph-proxy.cgi/010000A/http/genomebiology.com/2008/9/5/R89. C1 [Mons, Barend; van Mulligen, Erik] Erasmus MC, Dept Med Informat, NL-3015 GE Rotterdam, Netherlands. [Mons, Barend; Chichester, Christine; den Dunnen, Johan; van Ommen, Gert-Jan] Leiden Univ, Med Ctr, Ctr Med Syst Biol, Dept Human Genet, NL-2333 ZC Leiden, Netherlands. [Mons, Barend; Chichester, Christine; van Mulligen, Erik; Weeber, Marc; Mons, Albert; Berkeley, Alfred; Melton, William; Barris, Nickolas; Roes, Peter Jan] Knewco Inc, Rockville, MD 20850 USA. [Mons, Barend; Meijssen, Gerard; Moeller, Erik] Open Progress Educ, NL-1315 BH AlmereAlmere, Netherlands. [Ashburner, Michael; Lewis, Suzanna] EMBL European Bioinformat Inst, GO Consortium, Cambridge CB10 1SD, England. [Ashburner, Michael; Lewis, Suzanna] Univ Cambridge, Dept Genet, Hinxton CB10 1SD, England. [Borner, Katy] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley Bioinformat Open Source Projects, Berkeley, CA 94720 USA. [Chichester, Christine; Bairoch, Amos] Univ Geneva, Swiss Prot Grp, Swiss Inst Bioinformat, CH-1211 Geneva 4, Switzerland. [Chichester, Christine; Bairoch, Amos] Univ Geneva, Dept Struct Biol & Bioinformat, CH-1211 Geneva 4, Switzerland. [Musen, Mark] NCBO, Stanford Med Informat, Stanford, CA 94305 USA. [Cockerill, Matthew] BioMed Cent, London W1T 4LB, England. [Packer, Abel] BIREME PAHO WHO, SciELO, BR-04023901 Sao Paulo, Brazil. [Pacheco, Roberto] Ist Stela, BR-88034050 Florianopolis, SC, Brazil. [Borner, Katy] WikiMedia Fdn, San Francisco, CA 94107 USA. [Borner, Katy] Indiana Univ, Bloomington, IN 47405 USA. RP Mons, B (reprint author), Erasmus MC, Dept Med Informat, Dr Molewaterpl 40-50, NL-3015 GE Rotterdam, Netherlands. EM b.mons@erasmusmc.nl RI Packer, Abel/C-1705-2009; Packer, Abel Laerte/J-9350-2012; OI Bairoch, Amos/0000-0003-2826-6444; Mons, Barend/0000-0003-3934-0072; Packer, Abel Laerte/0000-0001-9610-5728; Cockerill, Matthew/0000-0002-3435-1082; Lewis, Suzanna/0000-0002-8343-612X; van Mulligen, Erik/0000-0003-1377-9386; Hermjakob, Henning/0000-0001-8479-0262 NR 31 TC 84 Z9 87 U1 1 U2 8 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1474-760X J9 GENOME BIOL JI Genome Biol. PY 2008 VL 9 IS 5 AR R89 DI 10.1186/gb-2008-9-5-r89 PG 15 WC Biotechnology & Applied Microbiology; Genetics & Heredity SC Biotechnology & Applied Microbiology; Genetics & Heredity GA 325CC UT WOS:000257564800019 PM 18507872 ER PT J AU Podar, M Anderson, I Makarova, KS Elkins, JG Ivanova, N Wall, MA Lykidis, A Mavromatis, K Sun, H Hudson, ME Chen, W Deciu, C Hutchison, D Eads, JR Anderson, A Fernandes, F Szeto, E Lapidus, A Kyrpides, NC Saier, MH Richardson, PM Rachel, R Huber, H Eisen, JA Koonin, EV Keller, M Stetter, KO AF Podar, Mircea Anderson, Iain Makarova, Kira S. Elkins, James G. Ivanova, Natalia Wall, Mark A. Lykidis, Athanasios Mavromatis, Kostantinos Sun, Hui Hudson, Matthew E. Chen, Wenqiong Deciu, Cosmin Hutchison, Don Eads, Jonathan R. Anderson, Abraham Fernandes, Fillipe Szeto, Ernest Lapidus, Alla Kyrpides, Nikos C. Saier, Milton H., Jr. Richardson, Paul M. Rachel, Reinhard Huber, Harald Eisen, Jonathan A. Koonin, Eugene V. Keller, Martin Stetter, Karl O. TI A genomic analysis of the archaeal system Ignicoccus hospitalis-Nanoarchaeum equitans SO GENOME BIOLOGY LA English DT Article ID HORIZONTAL GENE-TRANSFER; PYRUVATE-FERREDOXIN OXIDOREDUCTASE; HYDROGENOBACTER-THERMOPHILUS TK-6; HYPERTHERMOPHILIC ARCHAEON; NITRATE REDUCTION; OUTER-MEMBRANE; TRANSFER-RNAS; SP-NOV; EVOLUTION; DOMAIN AB Background: The relationship between the hyperthermophiles Ignicoccus hospitalis and Nanoarchaeum equitans is the only known example of a specific association between two species of Archaea. Little is known about the mechanisms that enable this relationship. Results: We sequenced the complete genome of I. hospitalis and found it to be the smallest among independent, free-living organisms. A comparative genomic reconstruction suggests that the I. hospitalis lineage has lost most of the genes associated with a heterotrophic metabolism that is characteristic of most of the Crenarchaeota. A streamlined genome is also suggested by a low frequency of paralogs and fragmentation of many operons. However, this process appears to be partially balanced by lateral gene transfer from archaeal and bacterial sources. Conclusions: A combination of genomic and cellular features suggests highly efficient adaptation to the low energy yield of sulfur-hydrogen respiration and efficient inorganic carbon and nitrogen assimilation. Evidence of lateral gene exchange between N. equitans and I. hospitalis indicates that the relationship has impacted both genomes. This association is the simplest symbiotic system known to date and a unique model for studying mechanisms of interspecific relationships at the genomic and metabolic levels. C1 [Podar, Mircea; Elkins, James G.; Keller, Martin] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. [Anderson, Iain; Ivanova, Natalia; Lykidis, Athanasios; Mavromatis, Kostantinos; Sun, Hui; Szeto, Ernest; Lapidus, Alla; Kyrpides, Nikos C.; Richardson, Paul M.] DOE Joint Genome Inst, Walnut Creek, CA 94598 USA. [Makarova, Kira S.; Koonin, Eugene V.] Natl Lib Med, Natl Ctr Biotechnol Informat, NIH, Bethesda, MD 20894 USA. [Wall, Mark A.; Hudson, Matthew E.; Chen, Wenqiong; Deciu, Cosmin; Hutchison, Don; Eads, Jonathan R.; Anderson, Abraham; Fernandes, Fillipe] Verenium Corp, San Diego, CA 92121 USA. [Saier, Milton H., Jr.] Univ Calif San Diego, Div Biol Sci, La Jolla, CA 92037 USA. [Rachel, Reinhard; Huber, Harald; Stetter, Karl O.] Univ Regensburg, Lehrstuhl Mikrobiol Archaeenzentrum, D-93053 Regensburg, Germany. [Eisen, Jonathan A.] Univ Calif Davis, Genome Ctr, Davis, CA 95616 USA. RP Podar, M (reprint author), Oak Ridge Natl Lab, Biosci Div, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM podarm@ornl.gov RI Hudson, Matthew/A-4438-2008; Keller, Martin/C-4416-2012; Elkins, James/A-6199-2011; Kyrpides, Nikos/A-6305-2014; Lapidus, Alla/I-4348-2013; OI Hudson, Matthew/0000-0002-4737-0936; Elkins, James/0000-0002-8052-5688; Kyrpides, Nikos/0000-0002-6131-0462; Lapidus, Alla/0000-0003-0427-8731; Podar, Mircea/0000-0003-2776-0205; Eisen, Jonathan A./0000-0002-0159-2197 FU US Department of Energy [DE-AC05-00OR22725]; Office of Science; Oak Ridge National Laboratory (ORNL); National Institutes of Health; National Library of Medicine; Deutsche Forschungsgemeinschaft FX We thank Diversa/Verenium Corporation (San Diego, CA), JGI production sequencing group and the Computational Biology Group at Oak Ridge National Laboratory (Oak Ridge, TN) for sequencing and annotation support. MP, JGE and MK were supported by the US Department of Energy, Office of Science, Biological and Environmental Research programs at Oak Ridge National Laboratory (ORNL). ORNL is managed by UT-Battelle, LLC, for the US Department of Energy under contract DE-AC05-00OR22725. Support for sequencing and data analysis was provided by the Joint Genome Institute, the US Department of Energy (IA, NI, AL, KM, HS, ES, AL, NK and PR). Diversa Corporation provided support for MP, MW, WC, CD, DH, JRE, AA and FF. KSM and EVK are supported by the Intramural Research Program of the National Institutes of Health, National Library of Medicine. HH, RR and KOS were supported by grants from the Deutsche Forschungsgemeinschaft. NR 97 TC 63 Z9 190 U1 1 U2 14 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1474-760X J9 GENOME BIOL JI Genome Biol. PY 2008 VL 9 IS 11 AR R158 DI 10.1186/gb-2008-9-11-r158 PG 18 WC Biotechnology & Applied Microbiology; Genetics & Heredity SC Biotechnology & Applied Microbiology; Genetics & Heredity GA 377TI UT WOS:000261273100005 PM 19000309 ER PT J AU Price, MN Dehal, PS Arkin, AP AF Price, Morgan N. Dehal, Paramvir S. Arkin, Adam P. TI Horizontal gene transfer and the evolution of transcriptional regulation in Escherichia coli SO GENOME BIOLOGY LA English DT Article ID FACTOR-BINDING SITES; PHYLOGENETIC ANALYSIS; MAXIMUM-LIKELIHOOD; GENOME EVOLUTION; SELFISH OPERONS; NETWORK; PROTEIN; DNA; PROKARYOTES; BACTERIAL AB Background: Most bacterial genes were acquired by horizontal gene transfer from other bacteria instead of being inherited by continuous vertical descent from an ancient ancestor. To understand how the regulation of these acquired genes evolved, we examined the evolutionary histories of transcription factors and of regulatory interactions from the model bacterium Escherichia coli K12. Results: Although most transcription factors have paralogs, these usually arose by horizontal gene transfer rather than by duplication within the E. coli lineage, as previously believed. In general, most neighbor regulators-regulators that are adjacent to genes that they regulate-were acquired by horizontal gene transfer, whereas most global regulators evolved vertically within the gamma-Proteobacteria. Neighbor regulators were often acquired together with the adjacent operon that they regulate, and so the proximity might be maintained by repeated transfers (like 'selfish operons'). Many of the as yet uncharacterized (putative) regulators have also been acquired together with adjacent genes, and so we predict that these are neighbor regulators as well. When we analyzed the histories of regulatory interactions, we found that the evolution of regulation by duplication was rare, and surprisingly, many of the regulatory interactions that are shared between paralogs result from convergent evolution. Another surprise was that horizontally transferred genes are more likely than other genes to be regulated by multiple regulators, and most of this complex regulation probably evolved after the transfer. Conclusion: Our findings highlight the rapid evolution of niche-specific gene regulation in bacteria. C1 [Price, Morgan N.; Dehal, Paramvir S.; Arkin, Adam P.] Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Price, Morgan N.; Dehal, Paramvir S.; Arkin, Adam P.] Univ Calif Berkeley, Lawrence Berkeley Lab, Virtual Inst Microbiol Stress & Survival, Berkeley, CA 94720 USA. [Arkin, Adam P.] Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Bioengn, Berkeley, CA 94720 USA. RP Price, MN (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, 1 Cyclotron Rd,Mailstop 977-152, Berkeley, CA 94720 USA. EM morgannprice@yahoo.com RI Arkin, Adam/A-6751-2008 OI Arkin, Adam/0000-0002-4999-2931 FU Howard Hughes Medical Institute NR 63 TC 64 Z9 65 U1 3 U2 10 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1474-760X J9 GENOME BIOL JI Genome Biol. PY 2008 VL 9 IS 1 AR R4 DI 10.1186/gb-2008-9-1-r4 PG 20 WC Biotechnology & Applied Microbiology; Genetics & Heredity SC Biotechnology & Applied Microbiology; Genetics & Heredity GA 271HP UT WOS:000253779800012 PM 18179685 ER PT J AU Raphael, BJ Volik, S Yu, P Wu, CX Huang, GQ Linardopoulou, EV Trask, BJ Waldman, F Costello, J Pienta, KJ Mills, GB Bajsarowicz, K Kobayashi, Y Sridharan, S Paris, P Tao, QZ Aerni, SJ Brown, RP Bashir, A Gray, JW Cheng, JF de Jong, P Nefedov, M Ried, T Padilla-Nash, HM Collins, CC AF Raphael, Benjamin J. Volik, Stanislav Yu, Peng Wu, Chunxiao Huang, Guiqing Linardopoulou, Elena V. Trask, Barbara J. Waldman, Frederic Costello, Joseph Pienta, Kenneth J. Mills, Gordon B. Bajsarowicz, Krystyna Kobayashi, Yasuko Sridharan, Shivaranjani Paris, Pamela Tao, Quanzhou Aerni, Sarah J. Brown, Raymond P. Bashir, Ali Gray, Joe W. Cheng, Jan-Fang de Jong, Pieter Nefedov, Mikhail Ried, Thomas Padilla-Nash, Hesed M. Collins, Colin C. TI A sequence-based survey of the complex structural organization of tumor genomes SO GENOME BIOLOGY LA English DT Article ID BREAST-CANCER; SOMATIC MUTATIONS; PROSTATE-CANCER; CELL-LINE; FUSION; GENES; EXPRESSION; DUPLICATION; CHROMOSOME; EVOLUTION AB Background: The genomes of many epithelial tumors exhibit extensive chromosomal rearrangements. All classes of genome rearrangements can be identified using End Sequencing Profiling (ESP), which relies on paired-end sequencing of cloned tumor genomes. Results: In this study, brain, breast, ovary and prostate tumors along with three breast cancer cell lines were surveyed with ESP yielding the largest available collection of sequence-ready tumor genome breakpoints and providing evidence that some rearrangements may be recurrent. Sequencing and fluorescence in situ hybridization (FISH) confirmed translocations and complex tumor genome structures that include co-amplification and packaging of disparate genomic loci with associated molecular heterogeneity. Comparison of the tumor genomes suggests recurrent rearrangements. Some are likely to be novel structural polymorphisms, whereas others may be bona fide somatic rearrangements. A recurrent fusion transcript in breast tumors and a constitutional fusion transcript resulting from a segmental duplication were identified. Analysis of end sequences for single nucleotide polymorphisms (SNPs) revealed candidate somatic mutations and an elevated rate of novel SNPs in an ovarian tumor. Conclusion: These results suggest that the genomes of many epithelial tumors may be far more dynamic and complex than previously appreciated and that genomic fusions including fusion transcripts and proteins may be common, possibly yielding tumorspecific biomarkers and therapeutic targets. C1 [Volik, Stanislav; Huang, Guiqing; Waldman, Frederic; Costello, Joseph; Bajsarowicz, Krystyna; Kobayashi, Yasuko; Sridharan, Shivaranjani; Paris, Pamela; Collins, Colin C.] Univ Calif San Francisco, Ctr Comprehens Canc, Canc Res Inst, San Francisco, CA 94115 USA. [Raphael, Benjamin J.] Brown Univ, Dept Comp Sci, Providence, RI 02912 USA. [Raphael, Benjamin J.] Brown Univ, Ctr Computat Mol Biol, Providence, RI 02912 USA. [Yu, Peng] Chinese Natl Human Genome Ctr, Beijing 100016, Peoples R China. [Wu, Chunxiao] Shandong Prov Hosp, Jinan 250021, Peoples R China. [Linardopoulou, Elena V.; Trask, Barbara J.] Fred Hutchinson Canc Res Ctr, Div Human Biol, Seattle, WA 98109 USA. [Pienta, Kenneth J.] Univ Michigan, Dept Internal Med, Ann Arbor, MI 48109 USA. [Pienta, Kenneth J.] Univ Michigan, Dept Urol, Ann Arbor, MI 48109 USA. [Mills, Gordon B.] Univ Texas Houston, MD Anderson Canc Ctr, Houston, TX 77030 USA. [Tao, Quanzhou] Amplicon Express, Pullman, WA 99163 USA. [Brown, Raymond P.; Bashir, Ali] Stanford Univ, BioMed Informat Program, Stanford, CA 94305 USA. [Gray, Joe W.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. [Cheng, Jan-Fang] Univ Calif Berkeley, Lawrence Berkeley Lab, Genom Div, Berkeley, CA 94720 USA. [Cheng, Jan-Fang] Univ Calif Berkeley, Lawrence Berkeley Lab, Joint Genome Inst, Berkeley, CA 94720 USA. [de Jong, Pieter; Nefedov, Mikhail] Childrens Hosp Oakland, BACPAC Resources, Oakland, CA 94609 USA. [Ried, Thomas; Padilla-Nash, Hesed M.] NCI, Sect Canc Genom, Genet Branch, Ctr Canc Res,NIH, Bethesda, MD 20892 USA. RP Collins, CC (reprint author), Univ Calif San Francisco, Ctr Comprehens Canc, Canc Res Inst, 2340 Sutter St, San Francisco, CA 94115 USA. EM collins@cc.ucsf.edu FU Intramural NIH HHS; NCI NIH HHS [P30 CA 82103, P50 CA083639, P50 CA69568, P50 CA069568, P50 CA058207, P50 CA 83639, P01 CA064602, CA5807, P01 CA 64602, P30 CA082103, P50 CA 58207, U24 CA 126551, U24 CA126551, U54 CA 112970, U54 CA112970, U24 CA126477, U24 CA 126477, R33 CA103068]; NHLBI NIH HHS [U01HL66728]; NIGMS NIH HHS [GM00806-06, R01 GM057070-10, R01 GM057070] NR 56 TC 28 Z9 28 U1 0 U2 2 PU BIOMED CENTRAL LTD PI LONDON PA CURRENT SCIENCE GROUP, MIDDLESEX HOUSE, 34-42 CLEVELAND ST, LONDON W1T 4LB, ENGLAND SN 1474-760X J9 GENOME BIOL JI Genome Biol. PY 2008 VL 9 IS 3 AR R59 DI 10.1186/gb-2008-9-3-r59 PG 34 WC Biotechnology & Applied Microbiology; Genetics & Heredity SC Biotechnology & Applied Microbiology; Genetics & Heredity GA 283TN UT WOS:000254659500013 PM 18364049 ER PT J AU Satou, Y Mineta, K Ogasawara, M Sasakura, Y Shoguchi, E Ueno, K Yamada, L Matsumoto, J Wasserscheid, J Dewar, K Wiley, GB Macmil, SL Roe, BA Zeller, RW Hastings, KEM Lemaire, P Lindquist, E Endo, T Hotta, K Inaba, K AF Satou, Yutaka Mineta, Katsuhiko Ogasawara, Michio Sasakura, Yasunori Shoguchi, Eiichi Ueno, Keisuke Yamada, Lixy Matsumoto, Jun Wasserscheid, Jessica Dewar, Ken Wiley, Graham B. Macmil, Simone L. Roe, Bruce A. Zeller, Robert W. Hastings, Kenneth E. M. Lemaire, Patrick Lindquist, Erika Endo, Toshinori Hotta, Kohji Inaba, Kazuo TI Improved genome assembly and evidence-based global gene model set for the chordate Ciona intestinalis: new insight into intron and operon populations SO GENOME BIOLOGY LA English DT Article ID INTEGRATED DATABASE; ORIGINS AB Background: The draft genome sequence of the ascidian Ciona intestinalis, along with associated gene models, has been a valuable research resource. However, recently accumulated expressed sequence tag (EST)/cDNA data have revealed numerous inconsistencies with the gene models due in part to intrinsic limitations in gene prediction programs and in part to the fragmented nature of the assembly. Results: We have prepared a less-fragmented assembly on the basis of scaffold-joining guided by paired-end EST and bacterial artificial chromosome (BAC) sequences, and BAC chromosomal in situ hybridization data. The new assembly (115.2 Mb) is similar in length to the initial assembly (116.7 Mb) but contains 1,272 (approximately 50%) fewer scaffolds. The largest scaffold in the new assembly incorporates 95 initial-assembly scaffolds. In conjunction with the new assembly, we have prepared a greatly improved global gene model set strictly correlated with the extensive currently available EST data. The total gene number (15,254) is similar to that of the initial set (15,582), but the new set includes 3,330 models at genomic sites where none were present in the initial set, and 1,779 models that represent fusions of multiple previously incomplete models. In approximately half, 5'-ends were precisely mapped using 5'-full-length ESTs, an important refinement even in otherwise unchanged models. Conclusion: Using these new resources, we identify a population of non-canonical (non-GT-AG) introns and also find that approximately 20% of Ciona genes reside in operons and that operons contain a high proportion of single-exon genes. Thus, the present dataset provides an opportunity to analyze the Ciona genome much more precisely than ever. C1 [Satou, Yutaka; Shoguchi, Eiichi] Kyoto Univ, Grad Sch Sci, Dept Zool, Kyoto 6068502, Japan. [Mineta, Katsuhiko; Ueno, Keisuke; Endo, Toshinori] Hokkaido Univ, Grad Sch Informat Sci & Technol, Sapporo, Hokkaido 0600814, Japan. [Ogasawara, Michio] Chiba Univ, Grad Sch Sci & Technol, Inage Ku, Chiba 2638522, Japan. [Sasakura, Yasunori; Inaba, Kazuo] Univ Tsukuba, Shimoda Marine Res Ctr, Shizuoka 4150025, Japan. [Yamada, Lixy] Univ Tokushima, Inst Enzyme Res, Div Dis Prote, Tokushima 7708503, Japan. [Matsumoto, Jun; Hastings, Kenneth E. M.] McGill Univ, Montreal Neurol Inst, Montreal, PQ H3A 2B4, Canada. [Matsumoto, Jun; Hastings, Kenneth E. M.] McGill Univ, Dept Neurol & Neurosurg, Montreal, PQ H3A 2B4, Canada. [Wasserscheid, Jessica; Dewar, Ken] McGill Univ, Genome Quebec Innovat Ctr, Montreal, PQ H3A 2B4, Canada. [Wasserscheid, Jessica; Dewar, Ken] McGill Univ, Dept Human Genet, Montreal, PQ H3A 2B4, Canada. [Wiley, Graham B.; Macmil, Simone L.; Roe, Bruce A.] Univ Oklahoma, Adv Ctr Genome Technol, Norman, OK 73019 USA. [Wiley, Graham B.; Macmil, Simone L.; Roe, Bruce A.] Univ Oklahoma, Dept Chem & Biochem, Norman, OK 73019 USA. [Zeller, Robert W.] San Diego State Univ, Dept Biol, San Diego, CA 92182 USA. [Lemaire, Patrick] Univ Mediterranee Aix Marseille, IBDML, CNRS UMR 6216, F-13288 Marseille, France. [Lindquist, Erika] DOE Joint Genome Inst, Genom Technol Dept, Walnut Creek, CA 94598 USA. [Hotta, Kohji] Keio Univ, Fac Sci & Technol, Yokohama, Kanagawa 2238522, Japan. RP Satou, Y (reprint author), Kyoto Univ, Grad Sch Sci, Dept Zool, Kyoto 6068502, Japan. EM yutaka@ascidian.zool.kyoto-u.ac.jp RI Lemaire, Patrick/D-4237-2009; MINETA, Katsuhiko /A-5455-2012; Lemaire, Patrick/B-5560-2012; Satou, Yutaka/K-7131-2012 OI MINETA, Katsuhiko /0000-0002-4727-045X; Lemaire, Patrick/0000-0003-4925-2009; Satou, Yutaka/0000-0001-5193-0708 FU MEXT, Japan [17687022]; National Science Foundation; Canadian Institutes of Health Research [MOP-77708] FX The assembly and gene model optimization work was supported by BIRD of Japan Science and Technology Agency. Primary sequence data were acquired under programs funded by Grants-in-aid from MEXT, Japan (YS, No. 17687022), the National Science Foundation (RWZ), and the Canadian Institutes of Health Research (KD and KEMH, MOP-77708). NR 24 TC 96 Z9 97 U1 1 U2 5 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1474-760X J9 GENOME BIOL JI Genome Biol. PY 2008 VL 9 IS 10 AR R152 DI 10.1186/gb-2008-9-10-r152 PG 11 WC Biotechnology & Applied Microbiology; Genetics & Heredity SC Biotechnology & Applied Microbiology; Genetics & Heredity GA 367YA UT WOS:000260587300014 PM 18854010 ER PT J AU Simmons, BA Loque, D Blanch, HW AF Simmons, Blake A. Loque, Dominique Blanch, Harvey W. TI Next-generation biomass feedstocks for biofuel production SO GENOME BIOLOGY LA English DT Review ID ROTATION WOODY CROPS; BIOENERGY FEEDSTOCK; AGRICULTURAL LAND; CLIMATE-CHANGE; UNITED-STATES; ETHANOL; ENERGY; CARBON; SWITCHGRASS; MISCANTHUS AB The development of second-generation biofuels - those that do not rely on grain crops as inputs will require a diverse set of feedstocks that can be grown sustainably and processed cost-effectively. Here we review the outlook and challenges for meeting hoped-for production targets for such biofuels in the United States. C1 [Simmons, Blake A.; Loque, Dominique; Blanch, Harvey W.] Joint BioEnergy Inst, Emeryville, CA 94608 USA. [Simmons, Blake A.] Sandia Natl Labs, Energy Syst Dept, Livermore, CA 94551 USA. [Blanch, Harvey W.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. RP Simmons, BA (reprint author), Joint BioEnergy Inst, Emeryville, CA 94608 USA. EM basimmo@sandia.gov RI Loque, Dominique/A-8153-2008; OI Simmons, Blake/0000-0002-1332-1810 FU US Department of Energy; Office of Science; Office of Biological and Environmental Research [DE-AC02-05CH11231]; Lawrence Berkeley National Laboratory FX This work was part of the DOE Joint BioEnergy Institute (http://www.jbei.org) supported by the US Department of Energy, Office of Science, Office of Biological and Environmental Research, through contract DE-AC02-05CH11231 between Lawrence Berkeley National Laboratory and the US Department of Energy. NR 43 TC 82 Z9 83 U1 2 U2 46 PU BIOMED CENTRAL LTD PI LONDON PA CURRENT SCIENCE GROUP, MIDDLESEX HOUSE, 34-42 CLEVELAND ST, LONDON W1T 4LB, ENGLAND SN 1474-760X J9 GENOME BIOL JI Genome Biol. PY 2008 VL 9 IS 12 AR 242 DI 10.1186/gb-2008-9-12-242 PG 6 WC Biotechnology & Applied Microbiology; Genetics & Heredity SC Biotechnology & Applied Microbiology; Genetics & Heredity GA 403HQ UT WOS:000263074100003 PM 19133109 ER PT J AU Scannell, DR Wolfe, KH AF Scannell, Devin R. Wolfe, Kenneth H. TI A burst of protein sequence evolution and a prolonged period of asymmetric evolution follow gene duplication in yeast SO GENOME RESEARCH LA English DT Article ID WHOLE-GENOME DUPLICATION; SACCHAROMYCES-CEREVISIAE; FUNCTIONAL DIVERGENCE; PRESERVATION; RATES; PROBABILITY; REPLACEMENT; LIKELIHOOD; SPECIATION; PHYLOGENY AB It is widely accepted that newly arisen duplicate gene pairs experience all altered selective regime that is often manifested as all increase ill the rate of protein sequence evolution. Marly details about the nature of the rate acceleration remain unknown, however, including its typical magnitude and duration, and whether it applies to both gene copies or just one. We provide initial answers to these questions by comparing the rate of protein sequence evolution among eight yeast species, between a large set of duplicate gene pairs that were created by a whole-genome duplication (WGD) and a set of genes that were returned to single-copy after this event. Importantly, we use a new method that takes into account the tendency for slowly evolving genes to be retained preferentially ill duplicate. We show that, oil average, proteins encoded by duplicate gene pairs evolved at least three times faster immediately after the WGD than single-copy genes to which they behave identically ill non-WGD lineages. Although the high rate ill duplicated genes subsequently declined rapidly, it has not yet returned to the typical rate for single-copy genes. Ill addition, we show that although duplicate gene pairs often have highly asymmetric rates of evolution, even the slower members of pairs show evidence of a burst of protein sequence evolution immediately after duplication. We discuss the contribution Of neofunctionlization to duplicate gene preservation and propose that a form of subfunctionalization mediated by coding region activity-reducing mutations is likely to have played all important role. C1 [Scannell, Devin R.; Wolfe, Kenneth H.] Univ Dublin Trinity Coll, Smurfit Inst Genet, Dublin 2, Ireland. RP Scannell, DR (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Rd,MS 84R0171, Berkeley, CA 94720 USA. EM DScannell@lbl.gov RI Wolfe, Kenneth/B-4653-2009; OI Scannell, Devin/0000-0002-8188-5992; Wolfe, Kenneth/0000-0003-4992-4979 NR 54 TC 67 Z9 67 U1 1 U2 10 PU COLD SPRING HARBOR LAB PRESS, PUBLICATIONS DEPT PI WOODBURY PA 500 SUNNYSIDE BLVD, WOODBURY, NY 11797-2924 USA SN 1088-9051 J9 GENOME RES JI Genome Res. PD JAN PY 2008 VL 18 IS 1 BP 137 EP 147 DI 10.1101/gr.6341207 PG 11 WC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Genetics & Heredity GA 245UW UT WOS:000251965300014 PM 18025270 ER PT J AU Yang, L Steefel, CI AF Yang, Li Steefel, Carl I. TI Kaolinite dissolution and precipitation kinetics at 22 degrees C and pH 4 SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID AQUEOUS-SOLUTIONS; CRYSTAL-GROWTH; CHEMICAL AFFINITY; RATES; 25-DEGREES-C; 80-DEGREES-C; TEMPERATURE; MINERALS; ALUMINUM; GIBBSITE AB Dissolution and precipitation rates of low defect Georgia kaolinite (KGa-1b) as a function of Gibbs free energy of reaction (or reaction affinity) were measured at 22 C and pH 4 in continuously stirred flowthrough reactors. Steady state dissolution experiments showed slightly incongruent dissolution, with a Si/Al ratio of about 1.12 that is attributed to the re-adsorption of Al on to the kaolinite surface. No inhibition of the kaolinite dissolution rate was apparent when dissolved aluminum was varied from 0 and 60 mu M. The relationship between dissolution rates and the reaction affinity can be described well by a Transition State Theory (TST) rate formulation with a Temkin coefficient of 2 [GRAPHICS] Stopping of flow in a close to equilibrium dissolution experiment yielded a solubility constant for kaolinite at 22 degrees C of 10(7.57). Experiments on the precipitation kinetics of kaolinite showed a more complex behavior. One conducted using kaolinite seed that had previously undergone extensive dissolution under far froth equilibrium conditions for 5 months showed a quasi-steady state precipitation rate for 105 h that was compatible with the TST expression above. After this initial period, however, precipitation rates decreased by an order of magnitude, and like other precipitation experiments conducted at higher supersaturation and without kaolinite seed subjected to extensive prior dissolution, could not be described with the TST law. The initial quasi-steady state rate is interpreted as growth on activated sites created by the dissolution process, but this reversible growth mechanism could not be maintained once these sites were filled. Long-term precipitation rates showed a linear dependence on solution saturation state that is generally consistent with a two-dimensional nucleation growth mechanism following the equation [GRAPHICS] Further analysis using Synchrotron Scanning Transmission X-ray Microscopy (STXM) in Total Electron Yield (TEY) mode of the material from the precipitation experiments showed spectra for newly precipitated material compatible with kaolinite. An idealized set of reactive transport simulations of the chemical weathering of albite to kaolinite using rate laws from (Hellmann R. and Tisserand D. (2006) Dissolution kinetics as a function of the Gibbs free energy of reaction: an experimental study based on albite feldspar. Geochim. Cosmochim. Acta 70(2) 1037-1052) and this study respectively indicate that while pore waters are likely to be close to equilibrium with respect to kaolinite at pH 4, significant kaolinite supersaturation may occur at higher pH if its precipitation rate is pH-dependent. (c) 2007 Elsevier Ltd. All rights reserved. C1 [Yang, Li; Steefel, Carl I.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Steefel, CI (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, 1 Cyclotron Rd,Mail Stop 90-1116, Berkeley, CA 94720 USA. EM CISteefel@lbl.gov RI YANG, LI/F-9392-2010; Steefel, Carl/B-7758-2010 NR 48 TC 53 Z9 53 U1 9 U2 39 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0016-7037 J9 GEOCHIM COSMOCHIM AC JI Geochim. Cosmochim. Acta PD JAN 1 PY 2008 VL 72 IS 1 BP 99 EP 116 DI 10.1016/j.gca.2007.10.011 PG 18 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 250NJ UT WOS:000252306700006 ER PT J AU Soderholm, L Skanthakumar, S Gorman-Lewis, D Jensen, MP Nagy, KL AF Soderholm, L. Skanthakumar, S. Gorman-Lewis, D. Jensen, M. P. Nagy, K. L. TI Characterizing solution and solid-phase amorphous uranyl silicates SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID INDUCED FLUORESCENCE SPECTROSCOPY; X-RAY-SCATTERING; SILICIC-ACID; AQUEOUS-SOLUTION; HANFORD-SITE; URANIUM(VI) SORPTION; SODIUM BOLTWOODITE; SURFACE SPECIATION; GAS-CHROMATOGRAPHY; CRYSTAL-STRUCTURE AB A combination of high-energy X-ray scattering (HEXS) and X-ray diffraction (XRD) is used to structurally and chemically characterize uranyl-silicate solutions and precipitates. Starting with a U to Si ratio of 1:2, solutions prepared at room temperature from pH 2.2 to 9.0 and at 150 degrees C from pH 5.1 to 9.1 showed U-U correlations out to distances of 10 angstrom or longer in both final solutions and precipitates. With one exception, all of the precipitates were amorphous, with no evidence of Bragg diffraction in the XRD data. The room temperature samples above pH 3.1 all had similar Fourier transforms of their HEXS data, which were obtained from suspended slurries or precipitates. In contrast, the hydrothermal sample precipitates showed considerable variation in their HEXS correlations at longer distances. The XRD pattern of the hydrothermal sample with a pH of 5.1 exhibited Bragg reflections indexable as soddyite. While showing no evidence of crystallinity using XRD, the hydrothermal sample at pH 6 showed similar HEXS correlations, which evolved in samples at increasing pH into correlations more consistent with sodium boltwoodite. These findings are supported by thermodynamic modeling. The structural correlations seen in the HEXS data to distances of about 4 angstrom are similar in all samples prepared at pH 4 or higher. This similarity of structure is used to propose a model for solid formation that includes a uranyl silicate building block, or synthon, which preorganizes in solution. Varying the pH changes how these synthons link into larger structures. (c) 2007 Elsevier Ltd. All rights reserved. C1 [Soderholm, L.; Skanthakumar, S.; Gorman-Lewis, D.; Jensen, M. P.] Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. [Nagy, K. L.] Univ Illinois, Dept Earth & Environm Sci, Chicago, IL 60607 USA. RP Soderholm, L (reprint author), Argonne Natl Lab, Div Chem, 9700 S Cass Ave,CHM 200, Argonne, IL 60439 USA. EM ls@anl.gov RI Jensen, Mark/G-9131-2012 OI Jensen, Mark/0000-0003-4494-6693 NR 73 TC 17 Z9 17 U1 0 U2 13 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0016-7037 J9 GEOCHIM COSMOCHIM AC JI Geochim. Cosmochim. Acta PD JAN 1 PY 2008 VL 72 IS 1 BP 140 EP 150 DI 10.1016/j.gca.2007.10.002 PG 11 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 250NJ UT WOS:000252306700009 ER PT J AU Hausrath, EM Navarre-Sitchler, AK Sak, PB Steefel, CI Brantley, SL AF Hausrath, Elisabeth M. Navarre-Sitchler, Alexis K. Sak, Peter B. Steefel, Carl I. Brantley, Susan L. TI Basalt weathering rates on Earth and the duration of liquid water on the plains of Gusev Crater, Mars SO GEOLOGY LA English DT Article DE Mars; basalt; weathering; reactive transport modeling; weathering rind; pH ID AQUEOUS ALTERATION; MERIDIANI-PLANUM; SPIRIT ROVER; MGS-TES; OLIVINE; ROCKS; DISSOLUTION; METEORITES; JAROSITE; HISTORY AB Where Martian rocks have been exposed to liquid water, chemistry versus depth profiles could elucidate both Martian climate history and potential for life. The persistence of primary minerals in weathered profiles constrains the exposure time to liquid water: on Earth, mineral persistence times range from similar to 10 k.y. (olivine) to similar to 250 k.y. (glass) to similar to 1 m.y. (pyroxene) to similar to 5 m.y. (plagiociase). Such persistence times suggest mineral persistence minima on Mars. However, Martian solutions may have been more acidic than on Earth. Relative mineral weathering rates observed for basalt in Svalbard (Norway) and Costa Rica demonstrate that laboratory pH trends can be used to estimate exposure to liquid water both qualitatively (mineral absence or presence) and quantitatively (using reactive transport models). Qualitatively, if the Martian solution pH >similar to 2, glass should persist longer than olivine; therefore, persistence of glass may be a pH indicator. With evidence for the pH of weathering, the reactive transport code CrunchFlow can quantitatively calculate the minimum duration of exposure to liquid water consistent with a chemical profile. For the profile measured on the surface of the exposed Martian rock known as Humphrey in Gusev Crater, the calculated exposure time is 22 k.y., which is a minimum due to physical erosion. If correct, this estimate is consistent with short-term, episodic alteration accompanied by ongoing surface erosion. More of these depth profiles should be measured to illuminate the weathering history of Mars. C1 [Hausrath, Elisabeth M.; Navarre-Sitchler, Alexis K.] Penn State Univ, Dept Geosci, University Pk, PA 16802 USA. [Sak, Peter B.] Dickinson Coll, Dept Geol, Carlisle, PA 17013 USA. [Steefel, Carl I.] Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Brantley, Susan L.] Penn State Univ, Dept Geosci, University Pk, PA 16802 USA. RP Hausrath, EM (reprint author), Johnson Sp Ctr, Houston, TX 77058 USA. EM Elisabeth.M.Hausrath@nasa.gov RI Steefel, Carl/B-7758-2010; Navarre-Sitchler, Alexis/J-3389-2014 NR 37 TC 66 Z9 66 U1 4 U2 26 PU GEOLOGICAL SOC AMER, INC PI BOULDER PA PO BOX 9140, BOULDER, CO 80301-9140 USA SN 0091-7613 EI 1943-2682 J9 GEOLOGY JI Geology PD JAN PY 2008 VL 36 IS 1 BP 67 EP 70 DI 10.1130/G24238A.1 PG 4 WC Geology SC Geology GA 247YL UT WOS:000252118400017 ER PT J AU Richardson, CD Hinman, NW McJunkin, TR Kotler, JM Scott, JR AF Richardson, C. Doc Hinman, Nancy W. McJunkin, Timothy R. Kotler, J. Michelle Scott, Jill R. TI Exploring Biosignatures Associated with Thenardite by Geomatrix-Assisted Laser Desorption/Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (GALDI-FTICR-MS) SO GEOMICROBIOLOGY JOURNAL LA English DT Article DE Glycine; stearic acid; geomatrix; evaporite; GALDI; laser desorption; mass spectrometry; FTICR-MS ID TIME-OF-FLIGHT; POLYCYCLIC AROMATIC-HYDROCARBONS; SAMPLE PREPARATION; INDUCED DESORPTION; AMINO-ACIDS; GAS-CHROMATOGRAPHY; ORGANIC-COMPOUNDS; MATRIX; IONIZATION; MARS AB Geomatrix-assisted laser desorption/ionization (GALDI) in conjunction with a Fourier transform ion cyclotron resonance mass spectrometer (FTICR-MS) has been employed to determine how effectively bio/organic molecules associated with the mineral thenardite (Na(2)SO(4)) can be detected. GALDI is based on the ability of the mineral host to assist desorption and ionization of bio/organic molecules without additional sample preparation. When glycine was mixed with thenardite, glycine was deprotonated to produce C(2)H(4)NO(2)(-) at m/z 74.025. The combination of stearic acid with thenardite produced a complex cluster ion at m/z 390.258 in the negative mode, which was assigned a composition of C(18)H(39)O(7)Na(-). A natural sample of thenardite from Searles Lake in California also produced a peak at m/z 390.260. The bio/organic signatures in both the laboratory-based and natural samples were heterogeneously dispersed as revealed by chemical imaging. The detection limits for the stearic acid and thenardite combination were estimated to be 3 parts per trillion or similar to 7 zeptomoles (10(-21)) per laser spot. Attempts to improve the signal-to-noise ratio by co-adding FTICR-MS data predetermined to contain the biosignatures of interest revealed problems due to a lack of phase coherence between data sets. C1 [McJunkin, Timothy R.; Scott, Jill R.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Richardson, C. Doc; Hinman, Nancy W.; Kotler, J. Michelle] Univ Montana, Dept Geosci, Missoula, MT 59812 USA. RP Scott, JR (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA. EM jill.scott@inl.gov RI McJunkin, Timothy/G-8385-2011; Scott, Jill/G-7275-2012 OI McJunkin, Timothy/0000-0002-4987-9170; FU National Aeronautics and Space Agency (NASA) [EXB03-0000-0054]; Inland Northwest Research Alliance (INRA); Montana Space; Idaho National Laboratory [DEAC0705ID14517] FX The authors acknowledge support by the National Aeronautics and Space Agency (NASA) Exobiology Program (EXB03-0000-0054). CDR would also like to thank Inland Northwest Research Alliance (INRA) and Montana Space Grant Consortium for support. Research was performed at the Idaho National Laboratory under DOE/NE Idaho Operations Office Contract DEAC0705ID14517. NR 60 TC 7 Z9 7 U1 1 U2 10 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 0149-0451 J9 GEOMICROBIOL J JI Geomicrobiol. J. PY 2008 VL 25 IS 7-8 BP 432 EP 440 DI 10.1080/01490450802403115 PG 9 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA 361IA UT WOS:000260120100013 ER PT J AU Buursink, ML Johnson, TC Routh, PS Knoll, MD AF Buursink, Marc L. Johnson, Timothy C. Routh, Partha S. Knoll, Michael D. TI Crosshole radar velocity tomography with finite-frequency Fresnel volume sensitivities SO GEOPHYSICAL JOURNAL INTERNATIONAL LA English DT Article DE tomography; electromagnetic theory; hydrogeophysics; wave scattering and diffraction; wave propagation ID TRAVEL-TIME TOMOGRAPHY; WAVE-FORM INVERSION; SEISMIC TOMOGRAPHY; RESOLUTION LIMITS; FRECHET KERNELS; RAY TOMOGRAPHY; RECONSTRUCTION; WAVEPATHS; MODEL AB Crosshole-radar velocity tomography is increasingly being used to characterize the electrical and hydrologic properties of the Earth's near-surface. Because radar methods are sensitive to the water content of geologic materials, velocity tomography is a good proxy for imaging soil water retention in the vadose zone and porosity in the saturated zone. In many near-surface environments, radar velocity varies over a few orders of magnitude. Common velocity tomography applies ray theory that assumes infinite frequency propagation. The ray approximation may induce velocity modelling artefacts and loss of localization. We propose an alternative method for computing velocity tomogram sensitivities using Fresnel volumes based on first-order scattering. The Fresnel volume sensitivities account for the finite-frequency of the crosshole radar signal and model the physics of radar propagation more accurately than the ray theory approximation. We demonstrate that applying finite-frequency Fresnel volume sensitivities provides improved radar velocity tomograms in low contrast environments. Analysis of the singular value decomposition of the sensitivity matrix demonstrates how the finite-frequency inversion recovers and localizes velocity heterogeneities better than ray theory. The singular value spectrum obtained from the full waveform sensitivities matches well with the Fresnel volume results. Furthermore, these basis functions are smooth and localized because the kernels capture the first order wave propagation effect compared to ray based sensitivity, which is a high frequency approximation. Through forward modelling experiments, we validate the finite-frequency sensitivity for crosshole radar velocity. In the Fresnel volume approach, the traveltime picking is more efficient because the datum is the peak of the first pulse rather than the first arrival, and therefore, data pre-processing is simpler and may be easily automated. The synthetic Fresnel volume inversion results show improvements in the final model and the data fits are better when compared to the ray theoretical inversions. C1 [Buursink, Marc L.] Chevron Energy Technol Co, Houston, TX 77002 USA. [Johnson, Timothy C.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. [Routh, Partha S.] Conoco Phillips, Seism Technol Dev, Houston, TX 77079 USA. [Buursink, Marc L.; Johnson, Timothy C.; Routh, Partha S.; Knoll, Michael D.] Boise State Univ, Dept Geosci, Ctr Geophys Invest Shallow Subsurface, Boise, ID 83725 USA. RP Buursink, ML (reprint author), Chevron Energy Technol Co, 1500 Louisiana St, Houston, TX 77002 USA. EM buursink@chevron.com NR 60 TC 13 Z9 13 U1 1 U2 7 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0956-540X EI 1365-246X J9 GEOPHYS J INT JI Geophys. J. Int. PD JAN PY 2008 VL 172 IS 1 BP 1 EP 17 DI 10.1111/j.1365-246X.2007.03589.x PG 17 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 241QB UT WOS:000251669800001 ER PT J AU Berryman, JG AF Berryman, James G. TI Exact seismic velocities for transversely isotropic media and extended Thomsen formulas for stronger anisotropies SO GEOPHYSICS LA English DT Article ID WAVE ELASTIC-ANISOTROPY; ORTHORHOMBIC MEDIA; APPROXIMATIONS; CRACKS AB A different type of approximation to the exact anisotropic wave velocities as a function of incidence angle in transversely isotropic (TI) media is explored. This formulation extends Thomsen's weak anisotropy approach to stronger deviations from isotropy without significantly affecting the equations' simplicity. One easily recognized improvement is that the extreme value of the quasi-SV-wave speed v(sv)(theta) is located at the correct incidence angle theta=theta(ex) rather than always being at the position theta=45 degrees. This holds universally for Thomsen's approximation, although theta(ex)equivalent to 45 degrees actually is never correct for any TI anisotropic medium. Wave-speed magnitudes are more closely approximated for most values of the incidence angle, although there may be some exceptions depending on actual angular location of the extreme value. Furthermore, a special angle theta=theta(m) (close to theextreme point of the SV-wave speed and also needed by the new formulas) can be deduced from the same data normally used in weak anisotropy data analysis. All the main technical results are independent of the physical source of the anisotropy. Two examples illustrate the use of obtained results based on systems having vertical fractures. The first set of model fractures has axes of symmetry randomly oriented in the horizontal plane. Such a system is then isotropic in the horizontal plane and thus exhibits vertical transversely isotropic (VTI) symmetry. The second set of fractures also has its axes of symmetry in the horizontal plane, but (it is assumed) these axes are aligned so the system exhibits horizontal transverse isotropic (HTI) symmetry. Both VTI and HTI systems, as well as any other TI medium (whether because of fractures, layering, or other physical causes), are easily treated with the new phase-speed formulation. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Berryman, JG (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM jgberryman@lbl.gov RI Berryman, James/A-9712-2008 NR 23 TC 14 Z9 17 U1 1 U2 10 PU SOC EXPLORATION GEOPHYSICISTS PI TULSA PA 8801 S YALE ST, TULSA, OK 74137 USA SN 0016-8033 J9 GEOPHYSICS JI Geophysics PD JAN-FEB PY 2008 VL 73 IS 1 BP D1 EP D10 DI 10.1190/1.2813433 PG 10 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 270VT UT WOS:000253749000006 ER PT J AU Korneev, V AF Korneev, Valeri TI Slow waves in fractures filled with viscous fluid SO GEOPHYSICS LA English DT Article ID HYDRAULIC CONDUCTIVITY; BOREHOLE FRACTURES; ELASTIC-WAVES; TUBE WAVES; PROPAGATION; SQUIRT; SCALE; ATTENUATION; MODELS; ROCKS AB Stoneley guided waves in a fluid-filled fracture generally have larger amplitudes than other waves; therefore, their properties need to be incorporated into more realistic models. A fracture is modeled as an infinite layer of viscous fluid bounded by two elastic half-spaces with identical parameters. For small fracture thickness, a simple dispersion equation for wave-propagation velocity is obtained. This velocity is much smaller than the velocity of a fluid wave in a Biot-type solution, in which fracture walls are assumed to be rigid. At seismic prospecting frequencies and realistic fracture thicknesses, the Stoneley guided wave has wavelengths on the order of several meters and a quality factor Q exceeding 10, which indicates the possibility of resonance excitation in fluid-bearing rocks. The velocity and attenuation of Stoneley guided waves are distinctly different at low frequencies for water and for oil. The predominant role of fractures in fluid flow at field scales is supported by permeability data, showing an increase of several orders of magnitude when compared with values obtained at laboratory scales. The data suggest that Stoneley guided waves should be taken into account in theories describing seismic wave propagation in fluid-saturated rocks. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Korneev, V (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM vakorneev@lbl.gov NR 37 TC 25 Z9 25 U1 0 U2 9 PU SOC EXPLORATION GEOPHYSICISTS PI TULSA PA 8801 S YALE ST, TULSA, OK 74137 USA SN 0016-8033 EI 1942-2156 J9 GEOPHYSICS JI Geophysics PD JAN-FEB PY 2008 VL 73 IS 1 BP N1 EP N7 DI 10.1190/1.2802174 PG 7 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 270VT UT WOS:000253749000017 ER PT J AU Vasco, DW Keers, H Khazanehdari, J Cooke, A AF Vasco, D. W. Keers, Henk Khazanehdari, Jalal Cooke, Anthony TI Seismic imaging of reservoir flow properties: Resolving water influx and reservoir permeability SO GEOPHYSICS LA English DT Article ID GULF-OF-MEXICO; TIME; PRESSURE; FIELD; DISCRIMINATION; EQUATIONS; MEDIA AB Methods for geophysical-model assessment - in particular, the computation of model-parameter resolution - indicate the value and the limitations of time-lapse data in estimating reservoir flow properties. A trajectory-based method for computing sensitivities provides an effective means to compute model-parameter resolution. We examine the common situation in which water encroaches into a reservoir from below, as caused by the upward movement of an oil-water contact. Though the techniques described are not limited to this case, we treat the situation in which the time-lapse response is primarily caused by changes in saturation. Using straightforward techniques, we find that, by including reflections off the top and bottom of a reservoir tens of meters thick, we can infer reservoir permeability based upon time-lapse data. We find that, for the case of water influx from below, using multiple time-lapse snapshots does not necessarily improve the resolution of reservoir permeability. An application to time-lapse data from the Norne field in the North Sea illustrates that we can resolve the permeability near a producing well using reflections from three interfaces associated with the reservoir. C1 [Vasco, D. W.] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Keers, Henk] Schlumberger Cambridge Res Ltd, Cambridge CB3 0HG, England. [Khazanehdari, Jalal] Schlumberger Middle E SA, Abu Dhabi, U Arab Emirates. RP Vasco, DW (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. EM dwvasco@lbl.gov; hkeers@oslo.westerngeco.slb.com; jkhazanehdari@abu-dhabi.oilfield.slb.com; acooke@slb.com RI Vasco, Donald/I-3167-2016; Vasco, Donald/G-3696-2015 OI Vasco, Donald/0000-0003-1210-8628; Vasco, Donald/0000-0003-1210-8628 NR 41 TC 13 Z9 13 U1 0 U2 2 PU SOC EXPLORATION GEOPHYSICISTS PI TULSA PA 8801 S YALE ST, TULSA, OK 74137 USA SN 0016-8033 EI 1942-2156 J9 GEOPHYSICS JI Geophysics PD JAN-FEB PY 2008 VL 73 IS 1 BP O1 EP O13 DI 10.1190/1.2789395 PG 13 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 270VT UT WOS:000253749000018 ER PT S AU Hrma, P Kruger, AA AF Hrma, P. Kruger, A. A. BE Liska, M Galusek, D Klement, R Petruskova, V TI Nuclear waste glasses: Continuous melting and bulk vitrification SO GLASS - THE CHALLENGE FOR THE 21ST CENTURY SE Advanced Materials Research LA English DT Proceedings Paper CT 9th Conference of the European-Society-of-Glass-Science-and-Technology/Annual Meeting of the International-Commission-on-Glass CY JUN 22-26, 2008 CL Trencin, SLOVAKIA SP European Soc Glass Sci & Technol, Int Commiss Glass DE waste glasses; continuous melting; bulk vitrification ID SAMPLE AB This contribution addresses various aspects of nuclear waste vitrification. Nuclear wastes have a variety of components and composition ranges. For each waste composition, the glass must be formulated to possess acceptable processing and product behavior defined in terms of physical and chemical properties that guarantee that the glass can be easily made and resist environmental degradation. Glass formulation is facilitated by developing property-composition models, and the strategy of model development and application is reviewed. However, the large variability of waste compositions presents numerous additional challenges: insoluble solids and molten salts may segregate; foam may hinder heat transfer and slow down the process; molten salts may accumulate in container refractory walls; on cooling, the glass may precipitate crystalline phases. These problems need targeted exploratory research. Examples of specific problems and their possible solutions are discussed. C1 [Hrma, P.] Pacific NW Natl Lab, POB 999,MSIN K6-24, Richland, WA 99354 USA. [Kruger, A. A.] US DOE, Off River Protect, Richland, WA 99352 USA. RP Hrma, P (reprint author), Pacific NW Natl Lab, POB 999,MSIN K6-24, Richland, WA 99354 USA. EM Pavel.Hrma@pnl.gov; Albert_A_Kruger@orp.doe.gov NR 15 TC 3 Z9 3 U1 0 U2 6 PU TRANS TECH PUBLICATIONS LTD PI DURNTEN-ZURICH PA KREUZSTRASSE 10, 8635 DURNTEN-ZURICH, SWITZERLAND SN 1022-6680 BN 978-0-87849-387-6 J9 ADV MATER RES-SWITZ PY 2008 VL 39-40 BP 633 EP + PG 2 WC Materials Science, Ceramics SC Materials Science GA BHX26 UT WOS:000257175200118 ER PT J AU Lobell, DB Field, CB AF Lobell, David B. Field, Christopher B. TI Estimation of the carbon dioxide (CO2) fertilization effect using growth rate anomalies of CO2 and crop yields since 1961 SO GLOBAL CHANGE BIOLOGY LA English DT Article DE carbon dioxide; climate change; CO2; fertilization; crop yields; food security; global warming; maize; rice; wheat; yield models ID CLIMATE-CHANGE; WHEAT YIELD; FOOD; RESPONSES; TRENDS AB The effect of elevated carbon dioxide (CO2) on crop yields is one of the most uncertain and influential parameters in models used to assess climate change impacts and adaptations. A primary reason for this uncertainty is the limited availability of experimental data on CO2 responses for crops grown under typical field conditions. However, because of historical variations in CO2, each year farmers throughout the world perform uncontrolled yield 'experiments' under different levels of CO2. In this study, measurements of atmospheric CO2 growth rates and crop yields for individual countries since 1961 were compared with empirically determine the average effect of a 1 ppm increase of CO2 on yields of rice, wheat, and maize. Because the gradual increase in CO2 is highly correlated with major changes in technology, management, and other yield controlling factors, we focused on first differences of CO2 and yield time series. Estimates of CO2 responses obtained from this approach were highly uncertain, reflecting the relatively small importance of year-to-year CO2 changes for yield variability. Combining estimates from the top 20 countries for each crop resulted in estimates with substantially less uncertainty than from any individual country. The results indicate that while current datasets cannot reliably constrain estimates beyond previous experimental studies, an empirical approach supported by large amounts of data may provide a potentially valuable and independent assessment of this critical model parameter. For example, analysis of reliable yield records from hundreds of individual, independent locations (as opposed to national scale yield records with poorly defined errors) may result in empirical estimates with useful levels of uncertainty to complement estimates from experimental studies. C1 Lawrence Livermore Natl Lab, Energy & Environm Directorate, Livermore, CA 94550 USA. Carnegie Inst Washington, Dept Global Ecol, Stanford, CA 94305 USA. RP Lobell, DB (reprint author), Lawrence Livermore Natl Lab, Energy & Environm Directorate, Livermore, CA 94550 USA. EM lobell2@llnl.gov NR 18 TC 38 Z9 40 U1 1 U2 25 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 1354-1013 J9 GLOBAL CHANGE BIOL JI Glob. Change Biol. PD JAN PY 2008 VL 14 IS 1 BP 39 EP 45 DI 10.1111/j.1365-2486.2007.01476.x PG 7 WC Biodiversity Conservation; Ecology; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 237ZE UT WOS:000251415000004 ER PT S AU Liu, YL Ou, CH Li, Z Corbett, C Mukherjee, B Ghosal, D AF Liu, Yali Ou, Canhui Li, Zhi Corbett, Cherita Mukherjee, Biswanath Ghosal, Dipak GP IEEE TI Wavelet-Based Traffic Analysis for Identifying Video Streams over Broadband Networks SO GLOBECOM 2008 - 2008 IEEE GLOBAL TELECOMMUNICATIONS CONFERENCE SE IEEE Global Telecommunications Conference (Globecom) LA English DT Proceedings Paper CT IEEE Global Telecommunications Conference (GLOBECOM 08) CY NOV 30-DEC 04, 2008 CL New Orleans, LA SP IEEE AB Network and service providers are rapidly deploying IPTV networks to deliver a wide variety of video content to subscribers. Some video content may be protected by copyright and/or may be subject to distribution restrictions. Encryption technologies may not always be effective to manage protected video content, particularly when video content is legally decrypted upon receipt by a subscriber. This paper presents a new approach to detect if specific (or protected) downloaded video is being redistributed by a subscriber using the broadband internet connection. The approach employs a traffic-based signature of the protected video clip. The signature which is shown to be unique is stored in a signature store. We adopt a wavelet-based analysis to match video streams captured from the network to the signatures in the store. The performance of the detection algorithm is evaluated using a large video database populated with a variety of movies and TV shows. The experiment results show that our algorithm achieves high detection rates and low false alarm rates using video clips of only a few seconds. C1 [Liu, Yali] Univ Calif Davis, Dept Elect & Comp Engn, Davis, CA 95616 USA. [Ou, Canhui] Univ Calif Berkeley, Haas Sch Business, Berkeley, CA 94720 USA. [Li, Zhi] AT&T Labs, San Ramon, CA 94583 USA. [Corbett, Cherita] Sandia Natl Labs, Livermore, CA 94551 USA. [Mukherjee, Biswanath; Ghosal, Dipak] Univ Calif Davis, Dept Comp Sci, Davis, CA 95616 USA. RP Liu, YL (reprint author), Univ Calif Davis, Dept Elect & Comp Engn, Davis, CA 95616 USA. EM yliu@ucdavis.edu NR 14 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1930-529X BN 978-1-4244-2324-8 J9 GLOB TELECOMM CONF PY 2008 DI 10.1109/GLOCOM.2008.ECP.338 PG 6 WC Engineering, Electrical & Electronic; Telecommunications SC Engineering; Telecommunications GA BTS44 UT WOS:000287978001159 ER PT S AU Sun, B Shrestha, D Yan, GH Xiao, Y AF Sun, Bo Shrestha, Dibesh Yan, Guanhua Xiao, Yang GP IEEE TI Self-propagate Mal-packets in Wireless Sensor Networks: Dynamics and Defense Implications SO GLOBECOM 2008 - 2008 IEEE GLOBAL TELECOMMUNICATIONS CONFERENCE SE IEEE Global Telecommunications Conference (Globecom) LA English DT Proceedings Paper CT IEEE Global Telecommunications Conference (GLOBECOM 08) CY NOV 30-DEC 04, 2008 CL New Orleans, LA SP IEEE ID WORMS AB In this paper, based on our proposed mal-packet self-propagation models in wireless sensor networks, we use TOSSIM to study their propagation dynamics. We also present a preliminary study of the feasibility of mal-packet defense in sensor networks. Specifically, based on random graph theory and percolation theory, we propose the immunization of the highly-connected nodes in order to partition the network into as many separate pieces as possible, thus preventing or slowing down the mal-packet propagation. We study the percolation threshold of different network densities and the effectiveness of immunization in terms of connection ratio, remaining link ratio, and distribution of component sizes. We also present an analysis of the distribution of component sizes. C1 [Sun, Bo; Shrestha, Dibesh] Lamar Univ, Dept Comp Sci, Beaumont, TX 77710 USA. [Yan, Guanhua] Los Alamos Natl Lab, Informat Sci, CCS 3, Los Alamos, NM 87545 USA. [Xiao, Yang] Univ Alabama, Dept Comp Sci, Tuscaloosa, AL 35487 USA. RP Sun, B (reprint author), Lamar Univ, Dept Comp Sci, Beaumont, TX 77710 USA. EM bsun@my.lamar.edu; dshrestha@my.lamar.edu; ghyan@lanl.gov; yangxiao@ieee.org FU Texas Advanced Research Program [003581-0006-2006]; US National Science Foundation (NSF) [DUE-0633445, CNS-0716211, CNS-0737325, CCF-0829827] FX This research was supported in part by the Texas Advanced Research Program under grant 003581-0006-2006 and the US National Science Foundation (NSF) under grants DUE-0633445, CNS-0716211, CNS-0737325, and CCF-0829827. NR 15 TC 2 Z9 2 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1930-529X BN 978-1-4244-2324-8 J9 GLOB TELECOMM CONF PY 2008 DI 10.1109/GLOCOM.2008.ECP.949 PG 5 WC Engineering, Electrical & Electronic; Telecommunications SC Engineering; Telecommunications GA BTS44 UT WOS:000287978005013 ER PT S AU Wei, SQ Kannan, R Iyengar, S Rao, NS AF Wei, Shuangqing Kannan, Rajgopal Iyengar, Sitharama Rao, Nageswara S. GP IEEE TI Energy Efficient Estimation of Gaussian Sources Over Inhomogeneous Gaussian MAC Channels SO GLOBECOM 2008 - 2008 IEEE GLOBAL TELECOMMUNICATIONS CONFERENCE SE IEEE Global Telecommunications Conference (Globecom) LA English DT Proceedings Paper CT IEEE Global Telecommunications Conference (GLOBECOM 08) CY NOV 30-DEC 04, 2008 CL New Orleans, LA SP IEEE ID DISTORTION; NETWORKS AB In this paper, we first provide a joint source and channel coding (JSCC) approach in estimating Gaussian sources over Gaussian MAC channels, as well as its sufficient and necessary condition in restoring Gaussian sources with a prescribed distortion value. An interesting relationship between our proposed joint approach with a more straightforward separate source and channel coding (SSCC) scheme is further established. We then formulate constrained power minimization problems to minimize total transmission power consumption under a distortion constraint for arbitrary in-homogeneous networks under JSCC, SSCC and uncoded scheme (UC). They are transformed to relaxed convex geometric programming problems. Our numerical results exhibit that none of the three schemes is consistently most energy efficient. The proposed JSCC could be more energy efficient than either the uncoded scheme, or SCCC, but not both. In addition, we prove that the optimal decoding order to minimize the total transmission powers for both source and channel coding parts is solely subject to the ordering of MAC channel qualities, and has nothing to do with the ranking of measurement qualities across measuring nodes. C1 [Wei, Shuangqing] Louisiana State Univ, Dept ECE, Baton Rouge, LA 70803 USA. [Kannan, Rajgopal; Iyengar, Sitharama] Louisiana State Univ, Dept Comp Sci, Baton Rouge, LA 70803 USA. [Rao, Nageswara S.] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. RP Wei, SQ (reprint author), Louisiana State Univ, Dept ECE, Baton Rouge, LA 70803 USA. OI Rao, Nageswara/0000-0002-3408-5941 NR 9 TC 2 Z9 2 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1930-529X BN 978-1-4244-2324-8 J9 GLOB TELECOMM CONF PY 2008 DI 10.1109/GLOCOM.2008.ECP.890 PG 5 WC Engineering, Electrical & Electronic; Telecommunications SC Engineering; Telecommunications GA BTS44 UT WOS:000287978004142 ER PT S AU Yanmaz, E AF Yanmaz, Evsen GP IEEE TI Epidemic Propagation in Overlaid Wireless Networks SO GLOBECOM 2008 - 2008 IEEE GLOBAL TELECOMMUNICATIONS CONFERENCE SE IEEE Global Telecommunications Conference (Globecom) LA English DT Proceedings Paper CT IEEE Global Telecommunications Conference (GLOBECOM 08) CY NOV 30-DEC 04, 2008 CL New Orleans, LA SP IEEE AB With the emergence of computer worms that can spread over air interfaces, wireless ad hoc and sensor networks can be vulnerable to node compromises even if the deployed network is not connected to the backbone. Depending on the physical topology of the wireless network, even a single infected node can compromise the whole network. In this work, epidemic (e.g., worm) propagation in a static wireless network is studied, where a number of infected mobile nodes are injected over the existing network. It is shown that the epidemic spread threshold and size depend on the physical topology of the underlying static wireless network as well as the mobility model employed by the infected mobile nodes. More specifically, results show that in a fully-connected static wireless network targeted attacks are more effective, whereas for a random topology random attacks can be sufficient to compromise the whole network. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Yanmaz, E (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM eyanmaz@alumni.cmu.edu NR 14 TC 0 Z9 0 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1930-529X BN 978-1-4244-2324-8 J9 GLOB TELECOMM CONF PY 2008 DI 10.1109/GLOCOM.2008.ECP.35 PG 5 WC Engineering, Electrical & Electronic; Telecommunications SC Engineering; Telecommunications GA BTS44 UT WOS:000287978000027 ER PT S AU Wall, JS Simon, MN Lin, BY Vinogradov, SN AF Wall, Joseph S. Simon, Martha N. Lin, Beth Y. Vinogradov, Serge N. BE Poole, RK TI Mass mapping of large globin complexes by scanning transmission electron microscopy SO GLOBINS AND OTHER NITRIC OXIDE-REACTIVE PROTEINS, PT A SE Methods in Enzymology LA English DT Review; Book Chapter ID HEXAGONAL BILAYER HEMOGLOBINS; LUMBRICUS-TERRESTRIS; ARCHITECTURE; FILAMENTS AB Scanning transmission electron microscopy (STEM) of unstained, freeze-dried biological macromolecules in the dark-field mode provides an image based on the number of electrons elastically scattered by the constituent atoms of the macromolecule. The image of each isolated particle provides information about the projected structure of the latter, and its integrated intensity is directly related to the mass of the selected particle. Particle images can be sorted by shape, providing independent histograms of mass to study assembly/disassembly intermediates. STEM is optimized for low-dose imaging and is suitable for accurate measurement of particle masses over the range from about 30 kDa to 1,000 MDa. This article describes the details of the method developed at the Brookhaven National Laboratory STEM facility and illustrates its application to the mass mapping of large globin complexes. C1 [Wall, Joseph S.; Simon, Martha N.; Lin, Beth Y.] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. [Vinogradov, Serge N.] Wayne State Univ, Sch Med, Dept Biochem & Mol Biol, Detroit, MI USA. RP Wall, JS (reprint author), Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. NR 14 TC 14 Z9 14 U1 1 U2 3 PU ELSEVIER ACADEMIC PRESS INC PI SAN DIEGO PA 525 B STREET, SUITE 1900, SAN DIEGO, CA 92101-4495 USA SN 0076-6879 BN 978-0-12-374277-3 J9 METHOD ENZYMOL JI Methods Enzymol. PY 2008 VL 436 BP 487 EP + DI 10.1016/S0076-6879(08)36027-3 PG 18 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA BHH44 UT WOS:000253294600027 PM 18237650 ER PT S AU Frieman, JA AF Frieman, Joshua A. BE Pellegrini, P Daflon, S Alcaniz, J Telles, E TI CHAPTER THREE LECTURES ON DARK ENERGY AND COSMIC ACCELERATION SO GRADUATE SCHOOL IN ASTRONOMY SE AIP Conference Proceedings LA English DT Proceedings Paper CT 12th Special Courses at the National-Observatory-of-Rio-de-Janeiro CY OCT 01-05, 2007 CL Rio de Janeiro, BRAZIL SP Natl Observ Rio de Janeiro, CoAA, Dept Astron, Res Grp Astron, CAPES DE dark energy; cosmic acceleration ID HUBBLE-SPACE-TELESCOPE; DIGITAL SKY SURVEY; NONZERO COSMOLOGICAL CONSTANT; HIGH-REDSHIFT SUPERNOVAE; LARGE-SCALE STRUCTURE; IA SUPERNOVAE; LIGHT-CURVE; CROSS-CORRELATION; DISTANT GALAXIES; SELF-CALIBRATION AB The discovery ten years ago that the expansion of the Universe is accelerating put in place die present cosmological model, in which the Universe is composed of 4% baryons, 20% dark matter, and 76% dark energy. Yet the underlying cause of cosmic acceleration remains a mystery: it could arise from the repulsive gravity of dark energy - for example, the quantum energy of the vacuum - or it may signal that General Relativity breaks down oil cosmological scales and must be replaced. In these lectures, I present the observational evidence for cosmic acceleration and what it has revealed about dark energy, discuss a few of the theoretical ideas that have been proposed to explain acceleration, and describe the key observational probes that we hope will shed light on this enigma in the coming years. Based oil five lectures given at the XII Ciclo de Cursos Especiais at the Observatorio Nacional, Rio de Janeiro, Brazil, 1-5 October 2007. C1 [Frieman, Joshua A.] Ctr Particle Astrophys, Fermilab, Batavia, IL 60510 USA. RP Frieman, JA (reprint author), Ctr Particle Astrophys, Fermilab, Batavia, IL 60510 USA. NR 117 TC 27 Z9 27 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 978-0-7354-0587-5 J9 AIP CONF PROC PY 2008 VL 1057 BP 87 EP 124 PG 38 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BIJ93 UT WOS:000260168300003 ER PT J AU Dietz, ML Jakab, S Yamato, K Bartsch, RA AF Dietz, Mark L. Jakab, Sandrine Yamato, Kazuhiro Bartsch, Richard A. TI Stereochemical effects on the mode of facilitated ion transfer into room-temperature ionic liquids SO GREEN CHEMISTRY LA English DT Article ID SOLID-STATE STRUCTURE; ACIDIC NITRATE MEDIA; METAL-IONS; STEREOSPECIFIC SYNTHESIS; EXTRACTION SOLVENTS; DICYCLOHEXANO-18-CROWN-6; STRONTIUM; MECHANISM; ISOMERS; TRANSISOMERS AB Crown ether stereochemistry is shown to influence the mode of sodium ion partitioning between acidic nitrate media and a dialkylimidazolium-based room temperature ionic liquid containing various dicyclohexano-18-crown-6 (DCH18C6) isomers, in contrast to an analogous extraction system employing a conventional organic solvent. C1 [Dietz, Mark L.; Jakab, Sandrine] Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. [Jakab, Sandrine] Ecole Natl Super Chim Paris, F-75231 Paris 05, France. [Yamato, Kazuhiro; Bartsch, Richard A.] Texas Tech Univ, Dept Chem & Biochem, Lubbock, TX 79409 USA. RP Dietz, ML (reprint author), Argonne Natl Lab, Div Chem, Bldg 200,9700 S Cass Ave, Argonne, IL 60439 USA. EM mdietz@anl.gov RI Yamato, Kazuhiro/G-4213-2013 OI Yamato, Kazuhiro/0000-0001-9592-0739 NR 23 TC 22 Z9 23 U1 1 U2 12 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9262 J9 GREEN CHEM JI Green Chem. PY 2008 VL 10 IS 2 BP 174 EP 176 DI 10.1039/b713750h PG 3 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA 258HZ UT WOS:000252860300006 ER PT J AU Zhao, H Baker, GA Song, ZY Olubajo, O Crittle, T Peters, D AF Zhao, Hua Baker, Gary A. Song, Zhiyan Olubajo, Olarongbe Crittle, Tanisha Peters, Darkeysha TI Designing enzyme-compatible ionic liquids that can dissolve carbohydrates SO GREEN CHEMISTRY LA English DT Article ID ANTARCTICA LIPASE-B; ACID ESTER SYNTHESIS; ORGANIC-SOLVENTS; 1-N-BUTYL-3-METHYLIMIDAZOLIUM CHLORIDE; ALPHA-CHYMOTRYPSIN; MOLTEN-SALTS; 1,3-DIMETHYLIMIDAZOLIUM CHLORIDE; CELLULOSE DISSOLUTION; GLUCOSE SOLVATION; HALOGEN-FREE AB Recently, there is a rising interest in dissolving a variety of carbohydrates ( such as sugars, starch and cellulose) in ionic liquids (ILs). The solutions of carbohydrates are then conveniently subject to chemical or physical modifications. However, one serious disadvantage of these ILs is their strong tendency in denaturing enzymes. This drawback prohibits the dissolved carbohydrates from being transformed by enzymatic reactions. In the present study, we designed a series of ILs that are able to dissolve carbohydrates but do not considerably inactivate the immobilized lipase B from Candida antarctica. These ILs consist of glycol-substituted cations and acetate anions. They could dissolve more than 10% (wt) cellulose and up to 80% (wt) D-glucose. The transesterification activities of the lipase in these ILs are very comparable with those in hydrophobic ILs. The hydrogen-bond forming anions, oxygen-containing cations, and low cation bulkiness promote the carbohydrate dissolution, while the low anion concentration appears essential for the enzyme stabilization. Therefore, an optimization could be achieved through a fine design of IL structures. To demonstrate the potential applications of these ILs, we performed the enzymatic transesterifications of methyl methacrylate with D-glucose and cellulose, respectively, both fully dissolved in ionic media. In the case of D-glucose, conversions up to 80% were obtained; and in the case of cellulose, conversions up to 89% and isolated yields up to 66% were achieved. C1 [Zhao, Hua; Song, Zhiyan; Olubajo, Olarongbe; Crittle, Tanisha; Peters, Darkeysha] Savannah State Univ, Chem Program, Savannah, GA 31404 USA. [Baker, Gary A.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Zhao, H (reprint author), Savannah State Univ, Chem Program, Savannah, GA 31404 USA. EM zhaoh@savstate.edu RI Baker, Gary/H-9444-2016; OI Baker, Gary/0000-0002-3052-7730; Zhao, Hua/0000-0002-5761-2089 NR 68 TC 245 Z9 260 U1 10 U2 114 PU ROYAL SOC CHEMISTRY PI CAMBRIDGE PA THOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND SN 1463-9262 EI 1463-9270 J9 GREEN CHEM JI Green Chem. PY 2008 VL 10 IS 6 BP 696 EP 705 DI 10.1039/b801489b PG 10 WC Chemistry, Multidisciplinary; GREEN & SUSTAINABLE SCIENCE & TECHNOLOGY SC Chemistry; Science & Technology - Other Topics GA 308KK UT WOS:000256388600018 ER PT S AU Gilmore, K Kahn, S Nordby, M O'Connor, P Oliver, J Radeka, V Schalk, T Schindler, R Van Berg, R AF Gilmore, Kirk Kahn, Steven Nordby, Martin O'Connor, Paul Oliver, John Radeka, Veljko Schalk, Terry Schindler, Rafe Van Berg, Rick CA LSST Camera Team BE McLean, IS Casali, MM TI The LSST Camera Overview: Design and Performance - art. no. 70140C SO GROUND-BASED AND AIRBORNE INSTRUMENTATION FOR ASTRONOMY II, PTS 1-4 SE PROCEEDINGS OF THE SOCIETY OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS (SPIE) LA English DT Proceedings Paper CT Conference on Ground-Based and Airborne Instrumentation for Astronomy II CY JUN 23-28, 2008 CL Marseille, FRANCE SP SPIE, SPIE Europe DE Survey; Wide-field; LSST; gigapixel; mosaic AB The LSST camera is a wide-field optical (0.35-1 um) imager designed to provide a 3.5 degree FOV with 0.2 arcsecond/pixel sampling. The detector format will be a circular mosaic providing approximately 3.2 Gigapixels per image. The camera includes a filter mechanism and shuttering capability. It is positioned in the middle of the telescope where cross-sectional area is constrained by optical vignetting and where heat dissipation must be controlled to limit thermal gradients in the optical beam. The fast f/1.2 beam will require tight tolerances on the focal plane mechanical assembly. The focal plane array operates at a temperature of approximately -100 degrees C to achieve desired detector performance. The focal plane array is contained within a cryostat which incorporates detector front-end electronics and thermal control. The cryostat lens serves as an entrance window and vacuum seal for the cryostat. Similarly, the camera body lens serves as an entrance window and gas seal for the camera housing, which is filled with a suitable gas to provide the operating environment for the shutter and filter change mechanisms. The filter carousel accommodates 5 filters, each 75 cm in diameter, for rapid exchange without external intervention. C1 [Gilmore, Kirk; Kahn, Steven; Nordby, Martin; Schindler, Rafe] Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. RP Gilmore, K (reprint author), Stanford Linear Accelerator Ctr, POB 20450, Stanford, CA 94309 USA. NR 5 TC 1 Z9 1 U1 0 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7224-3 J9 P SOC PHOTO-OPT INS PY 2008 VL 7014 BP C140 EP C140 DI 10.1117/12.789947 PN 1-4 PG 11 WC Engineering, Aerospace; Astronomy & Astrophysics; Optics; Physics, Applied SC Engineering; Astronomy & Astrophysics; Optics; Physics GA BII89 UT WOS:000259917700012 ER PT S AU Cease, H Depoy, D Derylo, G Diehl, HT Estrada, J Flaugher, B Guarino, V Kuk, K Kuhlmann, S Schultz, K Schmitt, RL Stefanik, A Zhao, A AF Cease, H. Depoy, D. Derylo, G. Diehl, H. T. Estrada, J. Flaugher, B. Guarino, V. Kuk, K. Kuhlmann, S. Schultz, K. Schmitt, R. L. Stefanik, A. Zhao, A. BE McLean, IS Casali, MM TI THE DARK ENERGY SURVEY CCD IMAGER DESIGN - art. no. 70146N SO GROUND-BASED AND AIRBORNE INSTRUMENTATION FOR ASTRONOMY II, PTS 1-4 SE PROCEEDINGS OF THE SOCIETY OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS (SPIE) LA English DT Proceedings Paper CT Conference on Ground-Based and Airborne Instrumentation for Astronomy II CY JUN 23-28, 2008 CL Marseille, FRANCE SP SPIE, SPIE Europe DE Dark Energy; CCD; imager; design; Blanco; CTIO; Cooling AB The Dark Energy Survey is planning to use a 3 sq. deg. camera that houses a similar to 0.5m diameter focal plane of 62 2kx4k CCDs. The camera vessel including the optical window cell, focal plate, focal plate mounts, cooling system and thermal controls is described. As part of the development of the mechanical and cooling design, a full scale prototype camera vessel has been constructed and is now being used for multi-CCD readout tests. Results from this prototype camera are described. C1 [Cease, H.; Derylo, G.; Diehl, H. T.; Estrada, J.; Flaugher, B.; Kuk, K.; Schultz, K.; Schmitt, R. L.; Stefanik, A.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Cease, H (reprint author), Fermilab Natl Accelerator Lab, Box 500, Batavia, IL 60510 USA. RI Zhao, Huyue /C-3088-2013 NR 5 TC 4 Z9 4 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 978-0-8194-7224-3 J9 P SOC PHOTO-OPT INS PY 2008 VL 7014 BP N146 EP N146 DI 10.1117/12.788200 PN 1-4 PG 12 WC Engineering, Aerospace; Astronomy & Astrophysics; Optics; Physics, Applied SC Engineering; Astronomy & Astrophysics; Optics; Physics GA BII89 UT WOS:000259917700222 ER PT S AU Schmitt, RL Cease, H Depoy, D Diehl, HT Estrada, J Flaugher, B Kuhlmann, S Onal, B Stefanik, A AF Schmitt, R. L. Cease, H. DePoy, D. Diehl, H. T. Estrada, J. Flaugher, B. Kuhlmann, S. Onal, Birce Stefanik, A. BE McLean, IS Casali, MM TI Cooling the dark energy camera instrument SO GROUND-BASED AND AIRBORNE INSTRUMENTATION FOR ASTRONOMY II, PTS 1-4 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on Ground-Based and Airborne Instrumentation for Astronomy II CY JUN 23-28, 2008 CL Marseille, FRANCE SP SPIE, SPIE Europe DE DES; DECAM; CTIO; NOAO; CCD; liquid nitrogen; pump; camera cooling AB DECam, camera for the Dark Energy Survey (DES), is undergoing general design and component testing. For an overview see DePoy, et al in these proceedings. For a description of the imager, see Cease, et al in these proceedings. The CCD instrument will be mounted at the prime focus of the CTIO Blanco 4m telescope. The instrument temperature will be 173K with a heat load of 113W. In similar applications, cooling CCD instruments at the prime focus has been accomplished by three general methods. Liquid nitrogen reservoirs have been constructed to operate in any orientation, pulse tube cryocoolers have been used when tilt angles are limited and Joule-Thompson or Stirling cryocoolers have been used with smaller heat loads. Gifford-MacMahon cooling has been used at the Cassegrain but not at the prime focus. For DES, the combined requirements of high heat load, temperature stability, low vibration, operation in any orientation, liquid nitrogen cost and limited space available led to the design of a pumped, closed loop, circulating nitrogen system. At zenith the instrument will be twelve meters above the pump/cryocooler station. This cooling system expected to have a 10,000 hour maintenance interval. This paper will describe the engineering basis Including the thermal model, unbalanced forces, cooldown time, the single and two-phase flow model. C1 [Schmitt, R. L.; Cease, H.; Diehl, H. T.; Estrada, J.; Flaugher, B.; Onal, Birce; Stefanik, A.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Schmitt, RL (reprint author), Fermilab Natl Accelerator Lab, Box 500, Batavia, IL 60510 USA. EM RLSchmitt@fnal.gov NR 3 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 978-0-8194-7224-3 J9 PROC SPIE PY 2008 VL 7014 AR 70146O DI 10.1117/12.786794 PN 1-4 PG 11 WC Engineering, Aerospace; Astronomy & Astrophysics; Optics; Physics, Applied SC Engineering; Astronomy & Astrophysics; Optics; Physics GA BII89 UT WOS:000259917700223 ER PT B AU Clement, WP Ward, AL AF Clement, William P. Ward, Andy L. BE Allred, BJ Daniels, JJ Ehsani, MR TI GPR Surveys across a Prototype Surface Barrier to Determine Temporal and Spatial Variations in Soil Moisture Content SO HANDBOOK OF AGRICULTURAL GEOPHYSICS SE Books in Soils Plants and the Environment LA English DT Article; Book Chapter ID GROUND-PENETRATING RADAR; TIME-DOMAIN REFLECTOMETRY; WATER-CONTENT C1 [Clement, William P.] Boise State Univ, Ctr Geophys Invest Shallow Subsurface, Boise, ID 83725 USA. [Ward, Andy L.] Pacific NW Natl Lab, Nat Resources Div, Richland, WA 99352 USA. RP Clement, WP (reprint author), Boise State Univ, Ctr Geophys Invest Shallow Subsurface, Boise, ID 83725 USA. NR 16 TC 3 Z9 3 U1 0 U2 2 PU CRC PRESS-TAYLOR & FRANCIS GROUP PI BOCA RATON PA 6000 BROKEN SOUND PARKWAY NW, STE 300, BOCA RATON, FL 33487-2742 USA BN 978-0-8493-3728-4 J9 BOOKS SOIL PLANT ENV PY 2008 BP 305 EP 315 PG 11 WC Plant Sciences; Environmental Sciences; Soil Science SC Plant Sciences; Environmental Sciences & Ecology; Agriculture GA BKI52 UT WOS:000268213600023 ER PT B AU Demmel, J Parlett, B Kahan, W Gu, M Bindel, D Hida, Y Riedy, EJ Voemel, C Dongarra, J Kurzak, J Buttari, A Langou, J Tomov, S Li, XY Marques, O Langou, J Luszczek, P AF Demmel, James Parlett, Beresford Kahan, William Gu, Ming Bindel, David Hida, Yozo Riedy, E. Jason Voemel, Christof Dongarra, Jack Kurzak, Jakub Buttari, Alfredo Langou, Julie Tomov, Stanimire Li, Xiaoye Marques, Osni Langou, Julien Luszczek, Piotr BE Rajasekaran, S Reif, J TI Prospectus for a Dense Linear Algebra Software Library SO HANDBOOK OF PARALLEL COMPUTING: MODELS, ALGORITHMS AND APPLICATIONS SE Chapman & Hall-CRC Computer and Information Science Series LA English DT Article; Book Chapter ID MATRIX SIGN FUNCTION; POLYNOMIAL EIGENVALUE PROBLEMS; MULTISHIFT QR ALGORITHM; HIGH RELATIVE ACCURACY; DECOMPOSITION; FACTORIZATION; COMPUTATION; REPRESENTATIONS; PERFORMANCE; REDUCTION C1 [Demmel, James; Parlett, Beresford; Kahan, William; Gu, Ming; Bindel, David; Hida, Yozo; Riedy, E. Jason; Voemel, Christof] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Tomov, Stanimire] Univ Tennessee, Dept Comp Sci, Knoxville, TN USA. [Dongarra, Jack] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Li, Xiaoye; Marques, Osni] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Luszczek, Piotr] MathWorks, Natick, MA USA. [Langou, Julien] Univ Colorado, Denver, CO 80202 USA. RP Demmel, J (reprint author), Univ Calif Berkeley, Berkeley, CA 94720 USA. RI Gu, Min/B-6627-2008 NR 97 TC 0 Z9 0 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 978-1-58488-623-5 J9 CH CRC COMP INFO SCI PY 2008 PG 21 WC Computer Science, Hardware & Architecture SC Computer Science GA BJN97 UT WOS:000266881800029 ER PT S AU Gschneidner, KA Bunzli, JCG Pecharsky, VK AF Gschneidner, Karl A., Jr. Buenzli, Jean-Claude G. Pecharsky, Vitalij K. BE Gschneidner, KA Bunzli, JCG Pecharsky, VK TI HANDBOOK ON THE PHYSICS AND CHEMISTRY OF RARE EARTHS VOLUME 38 PREFACE SO HANDBOOK ON THE PHYSICS AND CHEMISTRY OF RARE EARTHS, VOL 38 SE Handbook on the Physics and Chemistry of Rare Earths LA English DT Editorial Material; Book Chapter C1 [Pecharsky, Vitalij K.] US DOE, Ames Lab, Ames, IA 50011 USA. [Pecharsky, Vitalij K.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. [Buenzli, Jean-Claude G.] Swiss Fed Inst Technol, Lab Lanthanide Supramol Chem, BCH 1402, CH-1015 Lausanne, Switzerland. NR 0 TC 1 Z9 1 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA SARA BURGERHARTSTRAAT 25, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1573-4366 BN 978-0-08-055762-5 J9 HBK PHYS CHEM RARE PY 2008 VL 38 BP V EP X PG 6 WC Chemistry, Multidisciplinary; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA BCO86 UT WOS:000310920200001 ER PT S AU Bolotnikov, AE Babalola, S Camarda, GS Cui, Y Egarievwe, SU Fochuk, PM Hawrami, R Hossain, A James, JR Nakonechnyj, IJ Yang, G James, RB AF Bolotnikov, A. E. Babalola, S. Camarda, G. S. Cui, Y. Egarievwe, S. U. Fochuk, P. M. Hawrami, R. Hossain, A. James, J. R. Nakonechnyj, I. J. Yang, Ge James, R. B. BE Burger, A Franks, LA James, RB TI Spectral responses of virtual Frisch-grid CdZnTe detectors and their relation to IR microscopy and X-ray diffraction topography data SO HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS X SE PROCEEDINGS OF THE SOCIETY OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS (SPIE) LA English DT Proceedings Paper CT Conference on Hard X-Ray, Gamma-Ray, and Neutron Detector Physics X CY AUG 11-13, 2008 CL San Diego, CA DE CdZnTe; gamma-ray detectors; Frisch-grid ID RADIATION DETECTOR; CRYSTAL-GROWTH AB Virtual Frisch-grid CdZnTe detectors potentially can provide energy resolution close to the statistical limit. However, in real detectors, the quality of the crystals used to fabricate the devices primarily determines energy resolution. In this paper, we report our findings on the spectral response of devices and their relation to material-characterization data obtained using IR microscopy and X-ray diffraction topography. C1 [Bolotnikov, A. E.; Camarda, G. S.; Cui, Y.; Hossain, A.; Yang, Ge; James, R. B.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Bolotnikov, AE (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM bolotnik@bnl.gov RI Yang, Ge/G-1354-2011; Fochuk, Petro/D-9409-2016; OI Fochuk, Petro/0000-0002-4149-4882; Nakonechnyi, Igor/0000-0003-3955-2833 NR 28 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 978-0-8194-7299-1 J9 P SOC PHOTO-OPT INS PY 2008 VL 7079 AR 707903 DI 10.1117/12.796232 PG 16 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA BIY54 UT WOS:000263710100001 ER PT S AU Cherepy, NJ Kuntz, JD Roberts, JJ Hurst, TA Drury, OB Sanner, RD Tillotson, TM Payne, SA AF Cherepy, N. J. Kuntz, J. D. Roberts, J. J. Hurst, T. A. Drury, O. B. Sanner, R. D. Tillotson, T. M. Payne, S. A. BE Burger, A Franks, LA James, RB TI Transparent Ceramic Scintillator Fabrication, Properties and Applications SO HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS X SE PROCEEDINGS OF THE SOCIETY OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS (SPIE) LA English DT Proceedings Paper CT Conference on Hard X-Ray, Gamma-Ray, and Neutron Detector Physics X CY AUG 11-13, 2008 CL San Diego, CA DE Scintillators; Garnets; transparent ceramics; gamma ray spectrometers; radiography scintillators ID LUTETIURN ALUMINUM GARNET; RESOLUTION; READOUT AB Transparent ceramics offer an alternative to single crystals for scintillator applications such as gamma ray spectroscopy and radiography. We have developed a versatile, scaleable fabrication method, using Flame Spray Pyrolysis (FSP) to produce feedstock which is readily converted into phase-pure transparent ceramics. We measure integral light yields in excess of 80,000 Ph/MeV with Cerium-doped Garnets, and excellent optical quality. Avalanche photodiode readout of Garnets provides resolution near 6%. For radiography applications, Lutetium Oxide offers a high performance metric and is formable by ceramics processing. Scatter in transparent ceramics due to secondary phases is the principal limitation to optical quality, and afterglow issues that affect the scintillation performance are presently being addressed. C1 [Cherepy, N. J.; Kuntz, J. D.; Roberts, J. J.; Hurst, T. A.; Drury, O. B.; Sanner, R. D.; Tillotson, T. M.; Payne, S. A.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Cherepy, NJ (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave, Livermore, CA 94550 USA. EM cherepy1@llnl.gov RI Cherepy, Nerine/F-6176-2013 OI Cherepy, Nerine/0000-0001-8561-923X NR 13 TC 4 Z9 4 U1 2 U2 18 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7299-1 J9 P SOC PHOTO-OPT INS PY 2008 VL 7079 AR 70790X DI 10.1117/12.797398 PG 6 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA BIY54 UT WOS:000263710100024 ER PT S AU Cui, Y Bolotnikov, A Hossain, A Camarda, G Mycielski, A Yang, G Kochanowska, D Witkowska-Baran, M James, RB AF Cui, Y. Bolotnikov, A. Hossain, A. Camarda, G. Mycielski, A. Yang, G. Kochanowska, D. Witkowska-Baran, M. James, R. B. BE Burger, A Franks, LA James, RB TI CdMnTe Crystals for X-ray and Gamma-ray Detection SO HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS X SE PROCEEDINGS OF THE SOCIETY OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS (SPIE) LA English DT Proceedings Paper CT Conference on Hard X-Ray, Gamma-Ray, and Neutron Detector Physics X CY AUG 11-13, 2008 CL San Diego, CA DE Radiation detectors; CdMnTe; CMT; X-ray detection; gamma-ray detection ID CDTE; TELLURIDE; GROWTH AB CdMnTe (CMT) can be a good candidate for producing gamma-ray detectors because of its wide band-gap, high resistivity, and good electron transport properties. Further, the ability to grow CMT crystals at relatively low temperatures ensures a high yield for manufacturing detectors with good compositional uniformity and few impurities. Groups at Brookhaven National Laboratory and Institute of Physics are investigating several CMT crystals, selecting a few of them to make detectors. In this paper, we discuss our initial characterization of these crystals and describe our preliminary results with a gamma-ray source. C1 [Cui, Y.; Bolotnikov, A.; Hossain, A.; Camarda, G.; 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; Kochanowska, Dominika/P-8978-2016 NR 20 TC 3 Z9 3 U1 2 U2 9 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7299-1 J9 P SOC PHOTO-OPT INS PY 2008 VL 7079 AR 70790N DI 10.1117/12.793366 PG 9 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA BIY54 UT WOS:000263710100016 ER PT S AU Duff, MC Burger, A Groza, M Buliga, V Bradley, JP Dai, ZR Teslich, N Black, DR Awadalla, SA Mackenzie, J Chen, H AF Duff, Martine C. Burger, Arnold Groza, Michael Buliga, Vladimir Bradley, John P. Dai, Zurong R. Teslich, Nick Black, David R. Awadalla, Salah A. Mackenzie, Jason Chen, Henry BE Burger, A Franks, LA James, RB TI Characterization of Detector Grade CdZnTe Material from Redlen Technologies SO HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS X SE Proceedings of SPIE-The International Society for Optical Engineering LA English DT Proceedings Paper CT Conference on Hard X-Ray, Gamma-Ray and Neutron Detector Physics X CY AUG 11-13, 2008 CL San Diego, CA DE Surface treatment; traveling heater method; topography; TEM; hydrogen peroxide etch; secondary phases ID TRAVELING HEATER METHOD; CADMIUM ZINC TELLURIDE; SEMIINSULATING CDZNTE; METHOD THM; CRYSTALS; CDTE; PERFORMANCE; HG1-XCDXTE; (CD,ZN)TE; GROWTH AB CdZnTe (or CZT) crystals can be used in a variety of detector-type applications. This large band gap material shows great promise for use as a gamma radiation spectrometer. Historically, the performance of CZT has typically been adversely affected by point defects, structural and compositional heterogeneities within the crystals, such as twinning, pipes, grain boundaries (polycrystallinity) and secondary phases (SP). The synthesis of CZT material has improved greatly with the primary performance limitation being attributed to mainly SP. In this presentation, we describe the extensive characterization of detector grade material that has been treated with post growth annealing to remove the SPs. Some of the analytical methods used in this study included polarized, cross polarized and transmission IR imaging, I-V curves measurements, synchrotron X-ray topography and electron microscopy. C1 [Duff, Martine C.] Savannah River Ecol Lab, Aiken, SC 29808 USA. RP Duff, MC (reprint author), Savannah River Ecol Lab, Aiken, SC 29808 USA. RI Dai, Zurong/E-6732-2010 NR 23 TC 0 Z9 0 U1 0 U2 5 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7299-1 J9 P SOC PHOTO-OPT INS PY 2008 VL 7079 AR 70790T DI 10.1117/12.798921 PG 15 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA BIY54 UT WOS:000263710100021 ER PT S AU Gul, R Li, Z Rodriguez, R Keeter, K Bolotnikov, A James, R AF Gul, R. Li, Z. Rodriguez, R. Keeter, K. Bolotnikov, A. James, R. BE Burger, A Franks, LA James, RB TI Defect Measurements in CdZnTe Detectors Using I-DLTS, TCT, I-V, C-V and gamma-ray Spectroscopy SO HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS X SE PROCEEDINGS OF THE SOCIETY OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS (SPIE) LA English DT Proceedings Paper CT Conference on Hard X-Ray, Gamma-Ray, and Neutron Detector Physics X CY AUG 11-13, 2008 CL San Diego, CA DE CdZnTe detectors; Crystal defects; DLTS; gamma-ray spectroscopy ID SILICON DETECTORS; N-EFF; NEUTRON AB In this work we measured the crystal defect levels and tested the performance of CdZnTe detectors by diverse methodologies, viz., Current Deep Level Transient Spectroscopy (I-DLTS), Transient Current Technique (TCT), Current and Capacitance versus Voltage measurements (I-V and C-V), and gamma-ray spectroscopy. Two important characteristics of I-DLTS technique for advancing this research are (1) it is applicable for high-resistivity materials (> 10(6) Omega-cm), and, (2) the minimum temperature for measurements can be as low as 10 K. Such low-temperature capability is excellent for obtaining measurements at shallow levels. We acquired CdZnTe crystals grown by different techniques from two different vendors and characterized them for point defects and their response to photons. I-DLTS studies encompassed measuring the parameters of the defects, such as the energy levels in the band gap, the carrier capture cross-sections and their densities. The current induced by the laser-generated carriers and the charge collected (or number of electrons collected) were obtained using TCT that also provides the transport properties, such as the carrier life time and mobility of the detectors under study. The detector's electrical characteristics were explored, and its performance tested using I-V, C-V and gamma-ray spectroscopy. C1 [Gul, R.; Li, Z.; Bolotnikov, A.; James, R.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Gul, R (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. NR 9 TC 0 Z9 0 U1 2 U2 5 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7299-1 J9 P SOC PHOTO-OPT INS PY 2008 VL 7079 AR 70790U DI 10.1117/12.797865 PG 8 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA BIY54 UT WOS:000263710100022 ER PT S AU Hawkins, SA Teague, LC Villa-Aleman, E Duff, MC Burger, A Groza, M Buliga, V AF Hawkins, Samantha A. Teague, Lucile C. Villa-Aleman, Eliel Duff, Martine C. Burger, Arnold Groza, Michael Buliga, Vladimir BE Burger, A Franks, LA James, RB TI AFM characterization of laser induced damage on CdZnTe crystal surfaces SO HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS X SE PROCEEDINGS OF THE SOCIETY OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS (SPIE) LA English DT Proceedings Paper CT Conference on Hard X-Ray, Gamma-Ray, and Neutron Detector Physics X CY AUG 11-13, 2008 CL San Diego, CA DE AFM; Raman; CZT; laser-induced damage ID CADMIUM ZINC TELLURIDE; CD0.96ZN0.04TE THIN-FILMS; RADIATION DETECTORS; RAMAN-SCATTERING; SPATIAL RESPONSE; CD0.9ZN0.1TE; PERFORMANCE; BRIDGMAN; DEFECTS; SPECTRA AB Semi-conducting CdZnTe (or CZT) crystals can be used in a variety of detector-type applications. CZT shows great promise for use as a gamma radiation spectrometer. However, its performance is adversely affected by point defects, structural and compositional heterogeneities within the crystals, such as twinning, pipes, grain boundaries (polycrystallinity), secondary phases and in some cases, damage caused by external forces. One example is damage that occurs during characterization of the surface by a laser during Raman spectroscopy. Even minimal laser power can cause Te enriched areas on the surface to appear. The Raman spectra resulting from measurements at moderate intensity laser power show large increases in peak intensity that is attributed to Te. Atomic Force Microscopy (AFM) was used to characterize the extent of damage to the CZT crystal surface following exposure to the Raman laser. AFM data reveal localized surface damage in the areas exposed to the Raman laser beam. The degree of surface damage to the crystal is dependent on the laser power, with the most observable damage occurring at high laser power. Moreover, intensity increases in the Te peaks of the Raman spectra are observed even at low laser power with little to no visible damage observed by AFM. AFM results also suggest that exposure to the same amount of laser power yields different amounts of surface damage depending on whether the exposed surface is the Te terminating face or the Cd terminating face of CZT. C1 [Hawkins, Samantha A.; Teague, Lucile C.; Villa-Aleman, Eliel; Duff, Martine C.] Savannah River Ecol Lab, Aiken, SC 29808 USA. RP Hawkins, SA (reprint author), Savannah River Ecol Lab, Aiken, SC 29808 USA. NR 27 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 978-0-8194-7299-1 J9 P SOC PHOTO-OPT INS PY 2008 VL 7079 AR 70790R DI 10.1117/12.798574 PG 13 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA BIY54 UT WOS:000263710100020 ER PT S AU Hossain, A Babalola, S Bolotnikov, AE Camarda, GS Cui, Y Yang, G Guo, M Kochanowska, D Mycielski, A Burger, A James, RB AF Hossain, A. Babalola, S. Bolotnikov, A. E. Camarda, G. S. Cui, Y. Yang, G. Guo, M. Kochanowska, D. Mycielski, A. Burger, A. James, R. B. BE Burger, A Franks, LA James, RB TI Effect of chemical etching on the surface roughness of CdZnTe and CdMnTe gamma radiation detectors SO HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS X SE PROCEEDINGS OF THE SOCIETY OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS (SPIE) LA English DT Proceedings Paper CT Conference on Hard X-Ray, Gamma-Ray, and Neutron Detector Physics X CY AUG 11-13, 2008 CL San Diego, CA DE CdZnTe; CdMnTe; chemical polishing; surface roughness; atomic force microscopy ID PERFORMANCE; CDTE; CRYSTAL; TELLURIDE; CHEMISTRY; GROWTH AB Generally, mechanical polishing is performed to diminish the cutting damage followed by chemical etching to remove the remaining damage on crystal surfaces. In this paper, we detail the findings from our study of the effects of various chemical treatments on the roughness of crystal surfaces. We prepared several CdZnTe (CZT) and CdMnTe (CMT) crystals by mechanical polishing with 5 mu m and/or lower grits of Al(2)O(3) abrasive papers including final polishing with 0.05-mu m particle size alumina powder and then etched them for different periods with a 2%, 5% Bromine-Methanol (B-M) solution, and also with an E-solution (HNO(3):H(2)0:K(2)Cr(2)O(7)). The material removal rate (etching rate) from the crystals was found to be 10 pm, 30 pm, and 15 pm per minute, respectively. The roughness of the resulting surfaces was determined by the Atomic Force Microscopy (AFM) to identify the most efficient surface processing method by combining mechanical and chemical polishing. C1 [Hossain, A.; Bolotnikov, A. E.; Camarda, G. S.; 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. RI Yang, Ge/G-1354-2011; Kochanowska, Dominika/P-8978-2016 NR 18 TC 0 Z9 0 U1 1 U2 6 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7299-1 J9 P SOC PHOTO-OPT INS PY 2008 VL 7079 AR 70791E DI 10.1117/12.796797 PG 8 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA BIY54 UT WOS:000263710100036 ER PT S AU Perry, DL Franks, L AF Perry, Dale L. Franks, Larry BE Burger, A Franks, LA James, RB TI Model compounds for cadmium zinc telluride (CZT) impurities SO HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS X SE PROCEEDINGS OF THE SOCIETY OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS (SPIE) LA English DT Proceedings Paper CT Conference on Hard X-Ray, Gamma-Ray, and Neutron Detector Physics X CY AUG 11-13, 2008 CL San Diego, CA DE Cadmium zinc telluride; CZT; semiconductor detector; fuzzy chemistry ID ATOMIC-ABSORPTION SPECTROMETRY; PLASMA-MASS SPECTROMETRY; SYNCHROTRON-RADIATION; ACTIVATION-ANALYSIS; ICP-MS; OXIDE; HYDROXIDE; PEROXIDE; SAMPLES; COPPER AB Molecular compounds used as potential experimental models for contaminant inclusions in cadmium zinc telluride (CZT) are discussed. The compounds include those that have been previously directly observed or postulated in previous research studies of CZT and ones that have not yet been observed or studied in either CZT melts or large crystals. Several experimental techniques that are effective for direct interrogation of impurities in solid materials such as CZT are discussed. C1 [Perry, Dale L.] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Perry, DL (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Mail Stop 70A 1150, Berkeley, CA 94720 USA. NR 33 TC 1 Z9 1 U1 2 U2 6 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7299-1 J9 P SOC PHOTO-OPT INS PY 2008 VL 7079 AR 70791G DI 10.1117/12.798941 PG 6 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA BIY54 UT WOS:000263710100038 ER PT S AU Seifert, CE Barnett, DS Myjak, MJ AF Seifert, Carolyn E. Barnett, Debra S. Myjak, Mitchell J. BE Burger, A Franks, LA James, RB TI Prospects for Thermal Neutron Detection & Imaging with the GammaTracker Handheld Radioisotope Identifier SO HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS X SE PROCEEDINGS OF THE SOCIETY OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS (SPIE) LA English DT Proceedings Paper CT Conference on Hard X-Ray, Gamma-Ray, and Neutron Detector Physics X CY AUG 11-13, 2008 CL San Diego, CA DE neutron detection; neutron imaging; cadmium zinc telluride AB We present measured data on the neutron detection response of the GammaTracker handheld radioisotope identifier. Two neutron detection modes are discussed: measuring absorption gamma rays from the cadmium present in the Cd-Zn-Te spectrometers, and measuring the absorption gamma rays from moderator material present in the environment. In both cases, the capture gamma rays can be imaged to help locate a shielded neutron source. In this work, we discuss the total neutron detection efficiency of the GammaTracker instrument, and we present measured images of shielded neutron sources. Prospects for gamma-ray rejection are discussed. C1 [Seifert, Carolyn E.; Barnett, Debra S.; Myjak, Mitchell J.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Seifert, CE (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd, Richland, WA 99352 USA. EM carolyn.seifert@pnl.gov OI Myjak, Mitchell/0000-0002-3807-3542 NR 6 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 978-0-8194-7299-1 J9 P SOC PHOTO-OPT INS PY 2008 VL 7079 AR 707907 DI 10.1117/12.798795 PG 9 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA BIY54 UT WOS:000263710100004 ER PT S AU Yang, G Bolotnikov, AE Camarda, GS Cui, Y Hossain, A James, RB AF Yang, G. Bolotnikov, A. E. Camarda, G. S. Cui, Y. Hossain, A. James, R. B. BE Burger, A Franks, LA James, RB TI High Spatial Resolution X-Ray Mapping of CdZnTe detectors SO HARD X-RAY, GAMMA-RAY, AND NEUTRON DETECTOR PHYSICS X SE PROCEEDINGS OF THE SOCIETY OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS (SPIE) LA English DT Proceedings Paper CT Conference on Hard X-Ray, Gamma-Ray, and Neutron Detector Physics X CY AUG 11-13, 2008 CL San Diego, CA DE Radiation detection; CdZnTe; X-ray mapping; defect ID CRYSTALS AB CdZnTe (CZT) is the most promising semiconductor for room-temperature nuclear radiation detectors. At Brookhaven's National Synchrotron Light Source (NSLS), we used a highly collimated synchrotron X-ray radiation to map different CZT detectors. In this paper, the latest results from high spatial resolution X-ray mapping of CZT detectors are reported. Effects of different internal defects on the performance of CZT detectors are discussed. C1 [Yang, G.; Bolotnikov, A. E.; Camarda, G. S.; Cui, Y.; Hossain, A.; James, R. B.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Yang, G (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM gyang@bnl.gov RI Yang, Ge/G-1354-2011 NR 7 TC 0 Z9 0 U1 1 U2 2 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7299-1 J9 P SOC PHOTO-OPT INS PY 2008 VL 7079 AR 70791D DI 10.1117/12.796595 PG 10 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA BIY54 UT WOS:000263710100035 ER PT J AU Canu, IG Ellis, ED Tirmarche, M AF Canu, Irina Guseva Ellis, Elizabeth Dupree Tirmarche, Margot TI Cancer risk in nuclear workers occupationally exposed to uranium - Emphasis on internal exposure SO HEALTH PHYSICS LA English DT Review DE epidemiology; nuclear fuel cycle; radiation; alpha; health effects ID ATOMIC-ENERGY-AUTHORITY; MATERIALS FABRICATION PLANT; CAUSE-SPECIFIC MORTALITY; NATIONAL DOSE REGISTRY; ALKALINE COMET ASSAY; DIOXIDE UO2 DUST; IONIZING-RADIATION; NATURAL URANIUM; DRINKING-WATER; DNA-DAMAGE AB Workers involved in the nuclear fuel cycle have a potential for internal exposure to uranium. The present review of epidemiological studies of these workers aims to elucidate the relationship between occupational internal uranium exposure and cancer risk. Eighteen cohort and 5 nested case-control studies published since 1980 are reviewed. Workers occupationally exposed to uranium appear to be at increased risk of mortality from neoplasms of the lung, larynx, and lymphatic and haematopoietic tissue. Currently available evidence for a positive association between internal exposure to uranium and the risk of cancer is limited. The common weaknesses in reviewed studies include low statistical power and inaccurate assessment of internal exposure to uranium. Further investigations should focus on precise assessment of occupational exposure and address the issue of potential confounders. C1 [Canu, Irina Guseva; Tirmarche, Margot] Oak Ridge Associated Univ, Ctr Epidemiol Res, Oak Ridge, TN USA. RP Canu, IG (reprint author), LEPID, DRPH, Inst Radioprotect & Surete Nucl, BP 17, F-92262 Fontenay Aux Roses, France. EM irina.canu@irsn.fr NR 75 TC 26 Z9 26 U1 1 U2 8 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0017-9078 EI 1538-5159 J9 HEALTH PHYS JI Health Phys. PD JAN PY 2008 VL 94 IS 1 BP 1 EP 17 DI 10.1097/01.HP.0000281195.63082.e3 PG 17 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 243HG UT WOS:000251786800001 PM 18091147 ER PT J AU Goto, M Rosson, R Wampler, JM Elliott, WC Serkiz, S Kahn, B AF Goto, Momoko Rosson, Robert Wampler, J. Marion Elliott, W. Crawford Serkiz, Steven Kahn, Bernd TI Freundlich and dual langmuir isotherm models for predicting Cs-137 binding on Savannah River Site soils SO HEALTH PHYSICS LA English DT Article DE cesium; Cs-131; soil; modeling; environmental ID CESIUM; SORPTION; ILLITE; RETENTION; CLAY AB Distribution of Cs-137 and stable cesium between aqueous solution and near-surface soil samples from five locations at the Savannah River Site was measured in order to develop a predictive model for (CS)-C-137 uptake by the soils. Sorption of 137CS in these soils appears to be mostly by hydroxy-interlayered vermiculite. Batch sorption studies with 4 d for equilibration were conducted at three cesium concentrations and at two backing electrolyte (NaNO3) concentrations. The soil-solution mixtures were pH-adjusted to evaluate the effects of pH on cesium sorption. Sorbed cesium was related to the equilibrium aqueous cesium concentrations by a Freundlich isotherm model. Model fits on logarithmic scales have a common slope of 0.60 +/- 0.03 for acidic mixtures and 0.69 +/- 0.04 for neutralized mixtures but have unique intercepts that are influenced by backing electrolyte concentration and pH. An ion-exchange model is proposed that pertains to all five soils and relates the Freundlich isotherms to the cation exchange capacity of soil and the aqueous concentrations of cesium, sodium, and a third ionic species that was hydrogen in the acidic mixtures and potassium in the neutralized mixtures. Model fits are consistent with K, values in the entire range of 5-2,300 L kg(-1) determined for the five soil types. As an alternate model, dual Langmuir isotherms were fitted to the data. The results suggest cesium sorption by (1) relatively few interlayer-wedge sites, highly selective for cesium, and (2) much more abundant but less selective sites on internal and external planar surfaces. C1 [Goto, Momoko] Georgia Inst Technol, George W Woodruff Sch Mech Engn, Nucl & Radiol Engn Program, Atlanta, GA 30332 USA. [Goto, Momoko] Penn State Univ, Althouse Lab, University Pk, PA 16802 USA. [Rosson, Robert; Kahn, Bernd] Georgia Inst Technol, Georgia Tech Res Inst, Environm Radiat Ctr, Atlanta, GA 30332 USA. [Rosson, Robert; Kahn, Bernd] Georgia Inst Technol, Sch Earth & Atmospher Sci, Atlanta, GA 30332 USA. [Wampler, J. Marion] Georgia State Univ, Dept Geosci, Atlanta, GA 30302 USA. [Elliott, W. Crawford] Savannah River Natl Lab, Aiken, SC 29808 USA. RP Kahn, B (reprint author), Georgia Inst Technol, Georgia Tech Res Inst, Electroopt Syst Lab, Environm Radiat Ctr, Atlanta, GA 30332 USA. EM Bernd.Kahn@gtri.gatech.edu NR 31 TC 9 Z9 9 U1 3 U2 15 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0017-9078 EI 1538-5159 J9 HEALTH PHYS JI Health Phys. PD JAN PY 2008 VL 94 IS 1 BP 18 EP 32 DI 10.1097/01.HP.0000278416.04381.31 PG 15 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 243HG UT WOS:000251786800002 PM 18091148 ER PT J AU Olsher, RH Seagraves, DT AF Olsher, Richard H. Seagraves, David T. TI A He-3 counter version of the Thermo Fisher Scientific NRD neutron rem meter SO HEALTH PHYSICS LA English DT Article DE detector; radiation; instrumentation; neutron detection; survey meter AB Thermo Fisher Scientific's NRD rem meter has been in production for almost 40 y and is the primary rem meter in use at many U.S. Department of Energy facilities. An upgrade project was initiated at the Los Alamos National Laboratory with the primary goal of increasing the NRD's neutron sensitivity through the substitution of pressurized He-3 gas (4 atmospheres) for the stock counter tube's BF3 fill gas. Historically, BF3 counters were far less expensive relative to He-3 and were usually chosen on the basis of cost. That is no longer the case, with pricing for both types of counters being similar. Test results have shown that the He-3 counter version of the NRD exhibits stable operation at a reasonable bias voltage and good gamma rejection. Sensitivity has been increased by about a factor of four with no penalty in cost. C1 [Olsher, Richard H.; Seagraves, David T.] Los Alamos Natl Lab, Hlth Phys Measurements Grp, Los Alamos, NM 87545 USA. RP Olsher, RH (reprint author), Los Alamos Natl Lab, Hlth Phys Measurements Grp, Mail Stop J573,POB 1663, Los Alamos, NM 87545 USA. EM dick@lanl.gov NR 5 TC 1 Z9 1 U1 0 U2 0 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0017-9078 EI 1538-5159 J9 HEALTH PHYS JI Health Phys. PD JAN PY 2008 VL 94 IS 1 BP 71 EP 74 DI 10.1097/01.HP.0000284890.33001.af PG 4 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 243HG UT WOS:000251786800008 PM 18091154 ER PT J AU Munyon, WJ Reilly, DW Webb, J AF Munyon, W. J. Reilly, D. W. Webb, J. TI AGHCF gaseous-effluent tritium sampling system: Design considerations and performance testing results SO HEALTH PHYSICS LA English DT Article DE tritium; air sampling; effluents; operational topics AB Performance testing results involving the operation of a gaseous-effluent tritium sampling system are provided. A system description, including design improvements made over the course of several years of operation, is also presented. The sampling technique is based on using ethylene glycol bubblers for collecting tritiated water entrained as vapor in a nitrogen purge gas from a hot cell facility. Tritiated gas is converted to water vapor using a high temperature copper oxide bed; newly-formed water molecules are readily collected in a second set of ethylene glycol bubblers. For a single bubbler containing 20 mL of ethylene glycol, the tritium collection efficiency was determined to be 98.3%. To optimize performance and to minimize the volume of mixed waste generated, tests were performed to evaluate variations in the collection efficiency as a function of sorbent volume. For purposes of comparison the performance of water-filled bubblers was also evaluated. With two water bubblers connected in series the overall collection efficiency was quite satisfactory at 95.4%, although appreciable water losses were evident. The bed oxidation efficiency for tritiated gas was evaluated over a range of temperatures; at a catalyst bed temperature of 350 degrees C nearly all the gas was converted to water vapor. System memory effects were assessed by measuring the amount of residual contamination present in the bubblers after purging the sampling system for a week offline. Contamination problems arising from previous sampling periods were inconsequential. The overall uncertainty associated with the total quantity of tritium discharged to the environment based on the results of the performance testing was estimated to be +/- 24% at the 95% confidence level. C1 [Munyon, W. J.; Reilly, D. W.] Argonne Natl Lab, Argonne, IL 60439 USA. [Webb, J.] US Nucl Regulatory Commiss, Rockville, MD 20852 USA. RP Munyon, WJ (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM wjmunyon@ani.gov NR 8 TC 0 Z9 0 U1 1 U2 4 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0017-9078 EI 1538-5159 J9 HEALTH PHYS JI Health Phys. PD JAN PY 2008 VL 94 IS 1 BP 75 EP 85 DI 10.1097/01.HP.0000279630.18757.80 PG 11 WC Environmental Sciences; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 243HG UT WOS:000251786800009 PM 18091155 ER PT J AU Woolbright, SA DiFazio, SP Yin, T Martinsen, GD Zhang, X Allan, GJ Whitham, TG Keim, P AF Woolbright, S. A. DiFazio, S. P. Yin, T. Martinsen, G. D. Zhang, X. Allan, G. J. Whitham, T. G. Keim, P. TI A dense linkage map of hybrid cottonwood (Populus fremontii x P-angustifolia) contributes to long-term ecological research and comparison mapping in a model forest tree SO HEREDITY LA English DT Article DE Populus; genetic mapping; comparison mapping; ecological genetics; hybrid; AFLP ID FRAGMENT LENGTH POLYMORPHISMS; QUANTITATIVE TRAIT LOCI; MOLECULAR-GENETICS; SEGREGATION DISTORTION; ECOSYSTEM GENETICS; LEAF-LITTER; PLANT; GENOME; AFLP; COMMUNITY AB Cottonwoods are foundation riparian species, and hybridization among species is known to produce ecological effects at levels higher than the population, including effects on dependent species, communities and ecosystems. Because these patterns result from increased genetic variation in key cottonwood traits, novel applications of genetic tools (for example, QTL mapping) could be used to place broad-scale ecological research into a genomic perspective. In addition, linkage maps have been produced for numerous species within the genus, and, coupled with the recent publication of the Populus genome sequence, these maps present a unique opportunity for genome comparisons in a model system. Here, we conducted linkage analyses in order to (1) create a platform for QTL and candidate gene studies of ecologically important traits, (2) create a framework for chromosomal-scale perspectives of introgression in a natural population, and (3) enhance genome-wide comparisons using two previously unmapped species. We produced 246 backcross mapping (BC1) progeny by crossing a naturally occurring F-1 hybrid (Populus fremontii x P. angustifolia) to a pure P. angustifolia from the same population. Linkage analysis resulted in a dense linkage map of 541 AFLP and 111 SSR markers distributed across 19 linkage groups. These results compared favorably with other Populus linkage studies, and addition of SSR loci from the poplar genome project provided coarse alignment with the genome sequence. Preliminary applications of the data suggest that our map represents a useful framework for applying genomic research to ecological questions in a well-studied system, and has enhanced genome-wide comparisons in a model tree. C1 [Woolbright, S. A.; Martinsen, G. D.; Allan, G. J.; Whitham, T. G.; Keim, P.] No Arizona Univ, Dept Biol Sci, Environm Genet & Genom Facil, Flagstaff, AZ 86011 USA. [Woolbright, S. A.; Martinsen, G. D.; Allan, G. J.; Whitham, T. G.; Keim, P.] No Arizona Univ, Merriam Powell Ctr Environm Res, Flagstaff, AZ 86011 USA. [DiFazio, S. P.] W Virginia Univ, Dept Biol, Morgantown, WV 26506 USA. [Yin, T.] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Zhang, X.] Univ Tennessee, Dept Plant Sci, Knoxville, TN USA. RP Woolbright, SA (reprint author), No Arizona Univ, Dept Biol Sci, Environm Genet & Genom Facil, Box 5640,S Beaver St, Flagstaff, AZ 86011 USA. EM Scott.Woolbright@nau.edu RI Keim, Paul/A-2269-2010; Woolbright, Scott/B-4354-2012 OI Woolbright, Scott/0000-0002-7886-1009 NR 56 TC 32 Z9 36 U1 0 U2 13 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0018-067X J9 HEREDITY JI Heredity PD JAN PY 2008 VL 100 IS 1 BP 59 EP 70 DI 10.1038/sj.hdy.6801063 PG 12 WC Ecology; Evolutionary Biology; Genetics & Heredity SC Environmental Sciences & Ecology; Evolutionary Biology; Genetics & Heredity GA 242LZ UT WOS:000251727900010 PM 17895905 ER PT J AU Shablykin, OV Gakh, AA Brovarets, VS Rusanov, EB Drach, BS AF Shablykin, Oleg V. Gakh, Andrei A. Brovarets, Vladimir S. Rusanov, Eduard B. Drach, Boris S. TI A facile synthesis of new 1,2-dihydro-2 lambda(5)-[1,3]oxazolo[5,4-d][1,3,2]diazaphosphinine derivatives starting from 2-benzoylamino-3,3-dichloroacrylonitrile SO HETEROATOM CHEMISTRY LA English DT Article ID AMINES; PHOSPHORYLATION; NITRILES AB Easily accessible 2-benzoylamino-3,3dichloroacrylonitrile, when treated successively with primary amines, phosphorus pentachloride, sulfur dioxide, and various N- or S-nucleophiles, furnishes the corresponding derivatives of 1,2-dihydro-2 lambda(5)-[1,3]oxazolo[5,4-d][1,3,2]diazaphosphinine, a novel fused heterocycle. The structure of the compounds obtained is unequivocally confirmed by spectroscopic methods and X-ray diffraction analysis. (c) 2008 Wiley Periodicals, Inc. C1 [Shablykin, Oleg V.; Brovarets, Vladimir S.; Drach, Boris S.] Natl Acad Sci Ukraine, Inst Bioorgan Chem & Petrochem, Kiev, Ukraine. [Gakh, Andrei A.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Rusanov, Eduard B.] Natl Acad Sci Ukraine, Inst Organ Chem, Kiev, Ukraine. RP Drach, BS (reprint author), Natl Acad Sci Ukraine, Inst Bioorgan Chem & Petrochem, Kiev, Ukraine. EM drach@bpci.kiev.ua NR 24 TC 2 Z9 2 U1 0 U2 1 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 1042-7163 EI 1098-1071 J9 HETEROATOM CHEM JI Heteroatom Chem. PY 2008 VL 19 IS 5 BP 506 EP 511 DI 10.1002/hc.20470 PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA 328GG UT WOS:000257785800012 ER PT B AU Fraser, AM AF Fraser, Andrew M. BA Fraser, AM BF Fraser, AM TI Hidden Markov Models and Dynamical Systems Introduction SO HIDDEN MARKOV MODELS AND DYNAMICAL SYSTEMS SE Other Titles in Applied Mathematics LA English DT Editorial Material; Book Chapter C1 Los Alamos Natl Lab, Los Alamos, NM USA. RP Fraser, AM (reprint author), Los Alamos Natl Lab, Los Alamos, NM USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU SIAM PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA BN 978-0-898716-65-8 J9 OTHER TITL APPL MATH PY 2008 VL 107 BP 1 EP 17 D2 10.1137/1.9780898717747 PG 17 WC Mathematics, Applied SC Mathematics GA BOL77 UT WOS:000276959600002 ER PT B AU Fraser, AM AF Fraser, Andrew M. BA Fraser, AM BF Fraser, AM TI Hidden Markov Models and Dynamical Systems Preface SO HIDDEN MARKOV MODELS AND DYNAMICAL SYSTEMS SE Other Titles in Applied Mathematics LA English DT Editorial Material; Book Chapter ID PROBABILISTIC FUNCTIONS; LORENZ ATTRACTOR; EM ALGORITHM; TIME-SERIES; CHAINS C1 Los Alamos Natl Lab, Los Alamos, NM USA. RP Fraser, AM (reprint author), Los Alamos Natl Lab, Los Alamos, NM USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU SIAM PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA BN 978-0-898716-65-8 J9 OTHER TITL APPL MATH PY 2008 VL 107 BP XI EP + D2 10.1137/1.9780898717747 PG 7 WC Mathematics, Applied SC Mathematics GA BOL77 UT WOS:000276959600001 ER PT B AU Fraser, AM AF Fraser, Andrew M. BA Fraser, AM BF Fraser, AM TI Basic Algorithms SO HIDDEN MARKOV MODELS AND DYNAMICAL SYSTEMS SE Other Titles in Applied Mathematics LA English DT Article; Book Chapter C1 Los Alamos Natl Lab, Los Alamos, NM USA. RP Fraser, AM (reprint author), Los Alamos Natl Lab, Los Alamos, NM USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU SIAM PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA BN 978-0-898716-65-8 J9 OTHER TITL APPL MATH PY 2008 VL 107 BP 19 EP 46 D2 10.1137/1.9780898717747 PG 28 WC Mathematics, Applied SC Mathematics GA BOL77 UT WOS:000276959600003 ER PT B AU Fraser, AM AF Fraser, Andrew M. BA Fraser, AM BF Fraser, AM TI Variants and Generalizations SO HIDDEN MARKOV MODELS AND DYNAMICAL SYSTEMS SE Other Titles in Applied Mathematics LA English DT Article; Book Chapter C1 Los Alamos Natl Lab, Los Alamos, NM USA. RP Fraser, AM (reprint author), Los Alamos Natl Lab, Los Alamos, NM USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU SIAM PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA BN 978-0-898716-65-8 J9 OTHER TITL APPL MATH PY 2008 VL 107 BP 47 EP 57 D2 10.1137/1.9780898717747 PG 11 WC Mathematics, Applied SC Mathematics GA BOL77 UT WOS:000276959600004 ER PT B AU Fraser, AM AF Fraser, Andrew M. BA Fraser, AM BF Fraser, AM TI Continuous States and Observations and Kalman Filtering SO HIDDEN MARKOV MODELS AND DYNAMICAL SYSTEMS SE Other Titles in Applied Mathematics LA English DT Article; Book Chapter C1 Los Alamos Natl Lab, Los Alamos, NM USA. RP Fraser, AM (reprint author), Los Alamos Natl Lab, Los Alamos, NM USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU SIAM PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA BN 978-0-898716-65-8 J9 OTHER TITL APPL MATH PY 2008 VL 107 BP 59 EP 72 D2 10.1137/1.9780898717747 PG 14 WC Mathematics, Applied SC Mathematics GA BOL77 UT WOS:000276959600005 ER PT B AU Fraser, AM AF Fraser, Andrew M. BA Fraser, AM BF Fraser, AM TI Performance Bounds and a Toy Problem SO HIDDEN MARKOV MODELS AND DYNAMICAL SYSTEMS SE Other Titles in Applied Mathematics LA English DT Article; Book Chapter C1 Los Alamos Natl Lab, Los Alamos, NM USA. RP Fraser, AM (reprint author), Los Alamos Natl Lab, Los Alamos, NM USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU SIAM PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA BN 978-0-898716-65-8 J9 OTHER TITL APPL MATH PY 2008 VL 107 BP 73 EP 96 D2 10.1137/1.9780898717747 PG 24 WC Mathematics, Applied SC Mathematics GA BOL77 UT WOS:000276959600006 ER PT B AU Fraser, AM AF Fraser, Andrew M. BA Fraser, AM BF Fraser, AM TI Obstructive Sleep Apnea SO HIDDEN MARKOV MODELS AND DYNAMICAL SYSTEMS SE Other Titles in Applied Mathematics LA English DT Article; Book Chapter C1 Los Alamos Natl Lab, Los Alamos, NM USA. RP Fraser, AM (reprint author), Los Alamos Natl Lab, Los Alamos, NM USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU SIAM PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA BN 978-0-898716-65-8 J9 OTHER TITL APPL MATH PY 2008 VL 107 BP 97 EP 116 D2 10.1137/1.9780898717747 PG 20 WC Mathematics, Applied SC Mathematics GA BOL77 UT WOS:000276959600007 ER PT B AU Fraser, AM AF Fraser, Andrew M. BA Fraser, AM BF Fraser, AM TI Formulas for Matrices and Gaussians SO HIDDEN MARKOV MODELS AND DYNAMICAL SYSTEMS SE Other Titles in Applied Mathematics LA English DT Article; Book Chapter C1 Los Alamos Natl Lab, Los Alamos, NM USA. RP Fraser, AM (reprint author), Los Alamos Natl Lab, Los Alamos, NM USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU SIAM PI PHILADELPHIA PA 3600 UNIV CITY SCIENCE CENTER, PHILADELPHIA, PA 19104-2688 USA BN 978-0-898716-65-8 J9 OTHER TITL APPL MATH PY 2008 VL 107 BP 117 EP 120 D2 10.1137/1.9780898717747 PG 4 WC Mathematics, Applied SC Mathematics GA BOL77 UT WOS:000276959600008 ER PT S AU Wu, SSQ Soules, TF Page, RH Mitchell, SC Kanz, VK Beach, RJ AF Wu, Sheldon S. Q. Soules, Thomas F. Page, Ralph H. Mitchell, Scott C. Kanz, V. Keith Beach, Raymond J. BE Davis, SJ Heaven, MC Schriempf, JT TI Hydrocarbon-free resonance transition 795-nm rubidium laser - art. no. 68740E SO HIGH ENERGY/AVERAGE POWER LASERS AND INTENSE BEAM APPLICATIONS II SE PROCEEDINGS OF THE SOCIETY OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS (SPIE) LA English DT Proceedings Paper CT Conference on High Energy/Average Power Lasers and Intense Beam Applications II CY JAN 21-22, 2008 CL San Jose, CA SP SPIE DE rubidium laser; diode pumped alkali laser; DPAL ID VAPOR AB An optical resonance transition rubidium laser (5(2)P(1/2) -> 5(2)S(1/2)) is demonstrated with a hydrocarbon-free buffer gas. Prior demonstrations of alkali resonance transition lasers have used ethane as either the buffer gas or a buffer gas component to promote rapid fine-structure mixing. However, our experience suggests that the alkali vapor reacts with the ethane producing carbon as one of the reaction products. This degrades long term laser reliability. Our recent experimental results with a "clean" helium-only buffer gas system pumped by a Ti:sapphire laser demonstrate all the advantages of the original alkali laser system, but without the reliability issues associated with the use of ethane. C1 [Wu, Sheldon S. Q.; Soules, Thomas F.; Page, Ralph H.; Mitchell, Scott C.; Kanz, V. Keith; Beach, Raymond J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Wu, SSQ (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94551 USA. NR 11 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 978-0-8194-7049-2 J9 P SOC PHOTO-OPT INS PY 2008 VL 6874 BP E8740 EP E8740 DI 10.1117/12.765592 PG 7 WC Optics; Physics, Applied SC Optics; Physics GA BHQ79 UT WOS:000255548300010 ER PT S AU Diehl, HT Angstadt, R Campa, J Cease, H Derylo, G Emes, JH Estrada, J Kubik, D Flaugher, BL Holland, SE Jonas, M Kolbe, WF Krider, J Kuhlmann, S Kuk, K Maiorino, M Palaio, N Plazas, A Roe, NA Scarpine, V Schultz, K Shaw, T Spinka, H Stuermer, W AF Diehl, H. Thomas Angstadt, Robert Campa, Julia Cease, Herman Derylo, Greg Emes, John H. Estrada, Juan Kubik, Donna Flaugher, Brenna L. Holland, Steve E. Jonas, Michelle Kolbe, William F. Krider, John Kuhlmann, S. Kuk, Kevin Maiorino, Marino Palaio, Nick Plazas, Andres Roe, Natalie A. Scarpine, Vic Schultz, Ken Shaw, Terri Spinka, Hal Stuermer, Walter BE Dorn, DA Holland, AD TI Characterization of DECam Focal Plane Detectors SO HIGH ENERGY, OPTICAL, AND INFRARED DETECTORS FOR ASTRONOMY III SE PROCEEDINGS OF THE SOCIETY OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS (SPIE) LA English DT Proceedings Paper CT Conference on High Energy, Optical, and Infrared Detectors for Astronomy III CY JUN 23-26, 2008 CL Marseille, FRANCE SP SPIE, SPIE Europe DE CCDs; Mosaic camera; Dark Energy Survey ID CCDS AB DECam is a 520 Mpix, 3 square-deg FOV imager being built for the Blanco 4m Telescope at CTIO. This facility instrument will be used for the "Dark Energy Survey" of the southern galactic cap. DECam has chosen 250 mu m thick CCDs, developed at LBNL, with good QE in the near IR for the focal plane. In this work we present the characterization of these detectors done by the DES team, and compare it to the DECam technical requirements. The results demonstrate that the detectors satisfy the needs for instrument. C1 [Diehl, H. Thomas; Angstadt, Robert; Cease, Herman; Derylo, Greg; Estrada, Juan; Kubik, Donna; Flaugher, Brenna L.; Jonas, Michelle; Krider, John; Kuk, Kevin; Scarpine, Vic; Schultz, Ken; Shaw, Terri; Stuermer, Walter] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Diehl, HT (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM Diehl@FNAL.GOV RI Roe, Natalie/A-8798-2012; Holland, Stephen/H-7890-2013 NR 13 TC 6 Z9 6 U1 0 U2 3 PU SPIE-INT SOC OPTICAL ENGINEERING PI BELLINGHAM PA 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA SN 0277-786X BN 978-0-8194-7231-1 J9 P SOC PHOTO-OPT INS PY 2008 VL 7021 AR 702107 DI 10.1117/12.790053 PG 11 WC Astronomy & Astrophysics; Instruments & Instrumentation; Optics SC Astronomy & Astrophysics; Instruments & Instrumentation; Optics GA BIR72 UT WOS:000262360300007 ER PT S AU O'Connor, P Frank, J Geary, JC Gilmore, DK Kotov, I Radeka, V Takacs, P Tyson, JA AF O'Connor, P. Frank, J. Geary, J. C. Gilmore, D. K. Kotov, I. Radeka, V. Takacs, P. Tyson, J. A. BE Dorn, DA Holland, AD TI Characterization of prototype LSST CCDs SO High Energy, Optical, and Infrared Detectors for Astronomy III SE PROCEEDINGS OF THE SOCIETY OF PHOTO-OPTICAL INSTRUMENTATION ENGINEERS (SPIE) LA English DT Proceedings Paper CT Conference on High Energy, Optical, and Infrared Detectors for Astronomy III CY JUN 23-26, 2008 CL Marseille, FRANCE SP SPIE, SPIE Europe DE CCD; LSST; quantum efficiency; point spread function ID CHARGE DIFFUSION; ELECTRIC-FIELD; SILICON; TELESCOPE; THICK AB We present characterization methods and results on a number of new devices produced specifically to address LSST's performance goals, including flatness, QE, PSF, dark current, read noise, CTE, cosmetics, and crosstalk. The results indicate that commercially produced, thick n-channel over-depleted CCDs with excellent red response can achieve tight PSF at moderate applied substrate bias with no evidence of persistent image artifacts. We will also report ongoing studies of mosaic assembly techniques to achieve chip-to-chip co-planarity, high fill factor, and thermal stability. C1 [O'Connor, P.; Frank, J.; Kotov, I.; Radeka, V.; Takacs, P.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP O'Connor, P (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM poc@bnl.gov NR 15 TC 10 Z9 10 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 978-0-8194-7231-1 J9 P SOC PHOTO-OPT INS PY 2008 VL 7021 AR 702106 DI 10.1117/12.790672 PG 12 WC Astronomy & Astrophysics; Instruments & Instrumentation; Optics SC Astronomy & Astrophysics; Instruments & Instrumentation; Optics GA BIR72 UT WOS:000262360300006 ER PT S AU Degroot, T Ferencz, R Havstad, M Hodge, N Lin, J Parsons, D Puso, M Solberg, J Zywicz, E AF Degroot, Tony Ferencz, Robert Havstad, Mark Hodge, Neil Lin, Jerry Parsons, Dennis Puso, Michael Solberg, Jerome Zywicz, Edward BE Palma, JMLM Amestoy, PR Dayde, M Mattoso, M Lopes, JC TI Accomplishments and Challenges in Code Development for Parallel and Multimechanics Simulations SO HIGH PERFORMANCE COMPUTING FOR COMPUTATIONAL SCIENCE - VECPAR 2008 SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 8th International Conference on High Performance Computing for Computational Science (VECPAR 2008) CY JUN 24-27, 2008 CL Toulouse, FRANCE SP AESE, European Ctr Res & Adv Training, Inst Natl Polytech, Univ Porto, Univ Paul Sabatier ID CONTACT METHOD AB The Methods Development Group at Lawrence Livermore National Laboratory has historically developed and supported software for engineering simulations, with a focus on nonlinear structural mechanics and heat transfer. The quality, quantity and complexity of engineering analyses have continued to increase over time as advances in chip speed and multiprocessing computers have empowered this simulation software. As such, the evolution of simulation software has seen a greater focus on multimechanics and the incorporation of more sophisticated algorithms to improve accuracy, robustness and usability. This paper will give an overview of the latest code technologies developed by the Methods Development group in the areas of large deformation transient analysis and implicit coupled codes. Applications were run on the state of the art hardware available at the national laboratories. C1 [Degroot, Tony; Ferencz, Robert; Havstad, Mark; Hodge, Neil; Lin, Jerry; Parsons, Dennis; Puso, Michael; Solberg, Jerome; Zywicz, Edward] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Degroot, T (reprint author), Lawrence Livermore Natl Lab, 8000 East Ave, Livermore, CA 94550 USA. NR 5 TC 0 Z9 0 U1 0 U2 2 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-540-92858-4 J9 LECT NOTES COMPUT SC PY 2008 VL 5336 BP 214 EP 227 PG 14 WC Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA BIY42 UT WOS:000263689900019 ER PT S AU Canning, A AF Canning, Andrew BE Palma, JMLM Amestoy, PR Dayde, M Mattoso, M Lopes, JC TI Scalable Parallel 3d FFTs for Electronic Structure Codes SO HIGH PERFORMANCE COMPUTING FOR COMPUTATIONAL SCIENCE - VECPAR 2008 SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 8th International Conference on High Performance Computing for Computational Science (VECPAR 2008) CY JUN 24-27, 2008 CL Toulouse, FRANCE SP AESE, European Ctr Res & Adv Training, Inst Natl Polytech, Univ Porto, Univ Paul Sabatier ID MINIMIZATION AB First-principles methods based on Density Functional Theory (DFT) where the wavefunctions are expanded in plane waves (Fourier components) are the most widely used approach for electronic structure calculations in materials science. The scaling of this method depends critically on having an efficient parallel 3d FFT that minimizes communications and calculations. We present an implementation and performance data of a parallel 3d FFT specifically designed for electronic structure calculations that scales to thousands of processors on leading parallel and vector computer platforms (IBM SP, Cray XT, NEC SX). C1 Lawrence Berkeley Natl Lab, CRD, Berkeley, CA 94720 USA. RP Canning, A (reprint author), Lawrence Berkeley Natl Lab, CRD, Berkeley, CA 94720 USA. NR 4 TC 3 Z9 3 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-540-92858-4 J9 LECT NOTES COMPUT SC PY 2008 VL 5336 BP 280 EP 286 PG 7 WC Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA BIY42 UT WOS:000263689900024 ER PT S AU Li, XS AF Li, Xiaoye S. BE Palma, JMLM Amestoy, PR Dayde, M Mattoso, M Lopes, JC TI Evaluation of Sparse LU Factorization and Triangular Solution on Multicore Platforms SO HIGH PERFORMANCE COMPUTING FOR COMPUTATIONAL SCIENCE - VECPAR 2008 SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 8th International Conference on High Performance Computing for Computational Science (VECPAR 2008) CY JUN 24-27, 2008 CL Toulouse, FRANCE SP AESE, European Ctr Res & Adv Training, Inst Natl Polytech, Univ Porto, Univ Paul Sabatier ID ALGORITHMS; SUPERLU AB The Chip Multiprocessor (CMP) will be the basic building block for computer systems ranging from laptops to supercomputers. New software developments at all levels are needed to fully utilize these systems. In this work, we evaluate performance of different high-performance sparse LU factorization and triangular solution algorithms on several representative multicore machines. We include both pthreads and MPI implementations in this study, and found that the pthreads implementation consistently delivers good performance and a left-looking algorithm is usually superior. C1 Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Li, XS (reprint author), Lawrence Berkeley Natl Lab, MS 50F-1650,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM xsli@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 0302-9743 BN 978-3-540-92858-4 J9 LECT NOTES COMPUT SC PY 2008 VL 5336 BP 287 EP 300 PG 14 WC Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA BIY42 UT WOS:000263689900025 ER PT S AU Vasconcelos, PB Marques, O Roman, JE AF Vasconcelos, Paulo B. Marques, Osni Roman, Jose E. BE Palma, JMLM Amestoy, PR Dayde, M Mattoso, M Lopes, JC TI Parallel Eigensolvers for a Discretized Radiative Transfer Problem SO HIGH PERFORMANCE COMPUTING FOR COMPUTATIONAL SCIENCE - VECPAR 2008 SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 8th International Conference on High Performance Computing for Computational Science (VECPAR 2008) CY JUN 24-27, 2008 CL Toulouse, FRANCE SP AESE, European Ctr Res & Adv Training, Inst Natl Polytech, Univ Porto, Univ Paul Sabatier DE High performance computing; eigenvalue computations; Fredholm integral equation; weakly singular kernel ID EIGENVALUE; SOLVERS AB In this work we consider the numerical computation of eigenpairs of a matrix derived from integral operators. The matrix is associated to a radiative transfer problem in stellar atmospheres that is formulated by means of a weakly singular Fredholm integral equation defined on a Banach space. We examine direct and iterative parallel strategies for the eigensolution phase, using state-of-the-art numerical methods implemented in publicly available software packages. C1 [Vasconcelos, Paulo B.] Univ Porto, Fac Econ, Rua Dr Roberto Frias S-N, P-4200464 Oporto, Portugal. [Marques, Osni] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Roman, Jose E.] Univ Politecn Valencia, Inst ITACA, E-46022 Valencia, Spain. RP Vasconcelos, PB (reprint author), Univ Porto, Fac Econ, Rua Dr Roberto Frias S-N, P-4200464 Oporto, Portugal. EM pjv@fep.up.pt; omarques@lbl.gov; jroman@dsic.upv.es RI Vasconcelos, Paulo/A-8772-2008; OI Vasconcelos, Paulo/0000-0002-7132-880X; Roman, Jose E./0000-0003-1144-6772 FU Portuguese and Spanish governments [E-41/07, HP2006-0004]; Office of Science; U.S. Department of Energy [DE-AC02-05CH11231] FX This work was partially supported by the Portuguese and Spanish governments via an Integrated Action (resp. ref. E-41/07 and ref. HP2006-0004), and partly by the Director, Office of Science, Advanced Scientific Computing Research Program, of the U.S. Department of Energy under contract No. DE-AC02-05CH11231. NR 15 TC 3 Z9 3 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-540-92858-4 J9 LECT NOTES COMPUT SC PY 2008 VL 5336 BP 336 EP + PG 2 WC Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA BIY42 UT WOS:000263689900029 ER PT S AU Kaushik, D Gropp, W Minkoff, M Smith, B AF Kaushik, Dinesh Gropp, William Minkoff, Michael Smith, Barry BE Sadayappan, P Parashar, M Badrinath, R Prasanna, VK TI Improving the Performance of Tensor Matrix Vector Multiplication in Cumulative Reaction Probability Based Quantum Chemistry Codes SO HIGH PERFORMANCE COMPUTING - HIPC 2008, PROCEEDINGS SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 15th International Conference on High Performance Computing (HiPC 2008) CY DEC 17-20, 2008 CL Bangalore, INDIA SP IEEE Comp Soc, ACM SIGARCH, Infosys, DELL, NetApp, Intel, HP, IBM, Yahoo, Cray, Mellanox AB Cumulative reaction probability (CRP) calculations provide a viable computational approach to estimate reaction rate coefficients. However, in order to give meaningful results these calculations should be done in many dimensions (ten to fifteen). This makes CRP codes memory intensive. For this reason, these codes use iterative methods to solve the linear systems, where a good fraction of the execution time is spent on matrix-vector multiplication. In this paper, we discuss the tensor product form of applying the system operator on a vector. This approach shows much better performance and provides huge savings in memory as compared to the explicit sparse representation of the system matrix. C1 [Kaushik, Dinesh; Minkoff, Michael; Smith, Barry] Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. [Gropp, William] Univ Illinois, Urbana, IL 61801 USA. RP Kaushik, D (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM kaushik@mcs.anl.gov; wgropp@uiuc.edu; minkoff@mcs.anl.gov; bsmith@mcs.anl.gov OI Gropp, William/0000-0003-2905-3029 FU DOE through Argonne NERSC; ORNL; NSF FX We thank Paul Fischer, Ron Shepard, and Al Wagner of Argonne National Laboratory for many helpful discussions. The computer time was supplied by DOE (through Argonne, NERSC, and ORNL) and NSF (through Teragrid at SDSC). NR 11 TC 2 Z9 2 U1 0 U2 1 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-540-89893-1 J9 LECT NOTES COMPUT SC PY 2008 VL 5374 BP 120 EP + PG 3 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods SC Computer Science GA BIT30 UT WOS:000262503000014 ER PT S AU Alam, SR Agarwal, PK Hampton, SS Ong, H AF Alam, Sadaf R. Agarwal, Pratul K. Hampton, Scott S. Ong, Hong BE Sadayappan, P Parashar, M Badrinath, R Prasanna, VK TI Experimental Evaluation of Molecular Dynamics Simulations on Multi-core Systems SO High Performance Computing - HiPC 2008, Proceedings SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 15th International Conference on High Performance Computing (HiPC 2008) CY DEC 17-20, 2008 CL Bangalore, INDIA SP IEEE Comp Soc, ACM SIGARCH, Infosys, DELL, NetApp, Intel, HP, IBM, Yahoo, Cray & Mellanox DE Multicore; Performance; Molecular Dynamics Simulation; HPC AB Multi-core processors introduce many challenges both at the system and application levels that need to be addressed in order to attain the best performance. In this paper, we study the impact of the multi-core technologies in the context of two scalable, production-level molecular dynamics simulation frameworks. Experimental analysis and observations in this paper provide for a better understanding of the interactions between the application and the underlying system features such as memory bandwidth, architectural optimization. and communication library implementation. In particular, we observe that parallel efficiencies could be as low as 50% on quad-core systems while a set of dual-core processors connected with a high speed interconnect can easily outperform the same number of cores on a socket or in a package. This indicates that certain modifications to the software stack and application implementations are necessary in order to fully exploit the performance of multi-core based systems. C1 [Alam, Sadaf R.; Agarwal, Pratul K.; Hampton, Scott S.; Ong, Hong] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN USA. RP Alam, SR (reprint author), Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN USA. EM alamsr@ornl.gov; garwalpk@ornl.gov; hamptonss@ornl.gov; hongong@ornl.gov NR 12 TC 6 Z9 6 U1 0 U2 6 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-540-89893-1 J9 LECT NOTES COMPUT SC PY 2008 VL 5374 BP 131 EP 141 DI 10.1007/978-3-540-89894-8_15 PG 11 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods SC Computer Science GA BIT30 UT WOS:000262503000015 ER PT S AU Chan, A Balaji, P Gropp, W Thakur, R AF Chan, Anthony Balaji, Pavan Gropp, William Thakur, Rajeev BE Sadayappan, P Parashar, M Badrinath, R Prasanna, VK TI Communication Analysis of Parallel 3D FFT for Flat Cartesian Meshes on Large Blue Gene Systems SO HIGH PERFORMANCE COMPUTING - HIPC 2008, PROCEEDINGS SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 15th International Conference on High Performance Computing (HiPC 2008) CY DEC 17-20, 2008 CL Bangalore, INDIA SP IEEE Comp Soc, ACM SIGARCH, Infosys, DELL, NetApp, Intel, HP, IBM, Yahoo, Cray, Mellanox ID IMPLEMENTATION AB Parallel 3D FFT is a commonly used numerical method in scientific computing P3DFFT is a recently proposed implementation of parallel 3D FFT that is designed to allow sclability to massively large systems such as Blue Gene. While there has been recent work that demonstrates such sclability on regular cartesian meshes (equal length in each dimension), its performance and scalability for flat cartesian meshes (much smaller length in one dimension) is still a concern. In this, paper, we perform studies on a 16-rack (16384-node) Blue Gene/L system that demonstrates that a combination of the network topology and the communication pattern of P3DFFT can result in early network saturation and consequently performance loss. We also show that remapping processes on nodes and rotating the mesh by taking the communication properties of P3DFFT into consideration, can help alleviate this problem and improve performance by up to 48% in some special cases. C1 [Chan, Anthony] Univ Chicago, ASCI FLASH Ctr, Chicago, IL 60637 USA. [Balaji, Pavan; Thakur, Rajeev] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. [Gropp, William] Univ Illinois, Dept Comp Sci, Chicago, IL 60680 USA. RP Chan, A (reprint author), Univ Chicago, ASCI FLASH Ctr, Chicago, IL 60637 USA. EM chan@mcs.anl.gov; balaji@mcs.anl.gov; wgropp@illinois.edu; thakur@mcs.anl.gov OI Gropp, William/0000-0003-2905-3029 FU Computational Sciences Division sub program of the Office of Advanced Scientific Computing Research; U.S. Department of Energy [DE-AC02-06CH11357] FX This work was supported by the Mathematical, Information, and Computational Sciences Division sub program of the Office of Advanced Scientific Computing Research, Office of Science, U.S. Department of Energy, under Contract DE-AC02-06CH11357. We also acknowledge IBM for allowing us to use their BG-Watson system for our experiments. Finally, we thank Joerg Schumacher for providing us his test code that allowed us to understand the scalability issues with P3DFFT on flat cartesian meshes NR 12 TC 3 Z9 3 U1 0 U2 0 PU SPRINGER-VERLAG BERLIN PI BERLIN PA HEIDELBERGER PLATZ 3, D-14197 BERLIN, GERMANY SN 0302-9743 BN 978-3-540-89893-1 J9 LECT NOTES COMPUT SC PY 2008 VL 5374 BP 350 EP + PG 3 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods SC Computer Science GA BIT30 UT WOS:000262503000032 ER PT S AU Balaji, P Bhagvat, S Thakur, R Panda, DK AF Balaji, Pavan Bhagvat, Sitha Thakur, Rajeev Panda, Dhabaleswar K. BE Sadayappan, P Parashar, M Badrinath, R Prasanna, VK TI Sockets Direct Protocol for Hybrid Network Stacks: A Case Study with iWARP over 10G Ethernet SO HIGH PERFORMANCE COMPUTING - HIPC 2008, PROCEEDINGS SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 15th International Conference on High Performance Computing (HiPC 2008) CY DEC 17-20, 2008 CL Bangalore, INDIA SP IEEE Comp Soc, ACM SIGARCH, Infosys, DELL, NetApp, Intel, HP, IBM, Yahoo, Cray, Mellanox AB As high-end computing systems continue to growl the need a for advanced networking capabilities, such as hot-spot avoidance and fault tolerance, is becoming important. While the traditional approach of utilizing intelligent network hardware has worked well to achieve high performance, adding more and more features makes the hardware complex and expensive. Consequently, protocol stacks such as iWARP and MX for 10-Gigabit Ethernet and QLogic InfiniBand, utilize hybrid designs that take. advantage of the processing power of multi-core processors together with network hardware accelerators. However, upper-layer stacks on these networks, such as the Sockets Direct. Protocol (SDP), have not kept, pace with such shift, in paradigm. and have continued W assume complete hardware offload, leading to redundant features and performance loss. fit this paper, we propose an enhanced design for SDP that, allows network stacks to specify components implemented in hardware and software, and uses, this information to optimize its execution. C1 [Balaji, Pavan; Thakur, Rajeev] Argonne Natl Lab, Math & Comp Sci, Argonne, IL 60439 USA. [Bhagvat, Sitha] Dell Inc, Scalable Syst Grp, Round Rock, TX USA. [Panda, Dhabaleswar K.] Ohio State Univ, Comp Sci & Engn, Columbus, OH 43210 USA. RP Balaji, P (reprint author), Argonne Natl Lab, Math & Comp Sci, Argonne, IL 60439 USA. EM balaji@mcs.anl.gov; sitha_bhagvat@dell.com; thakur@mcs.anl.gov; panda@cse.ohio-state.edu FU National Science Foundation [0702182]; Mathematical, Information, and Computational Sciences Division subprogram of the Office of Advanced Scientific Computing Research, Office of Science, U.S. Department of Energy [DE-AC02-06CH11357] FX This work was supported in part by the National Science Foundation Grant #0702182 and the Mathematical, Information, and Computational Sciences Division subprogram of the Office of Advanced Scientific Computing Research, Office of Science, U.S. Department of Energy, under Contract DE-AC02-06CH11357. NR 25 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 978-3-540-89893-1 J9 LECT NOTES COMPUT SC PY 2008 VL 5374 BP 478 EP + PG 4 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods SC Computer Science GA BIT30 UT WOS:000262503000042 ER PT S AU Kumar, M Chaube, V Balaji, P Feng, WC Jin, HW AF Kumar, Mithilesh Chaube, Vineeta Balaji, Pavan Feng, Wu-Chun Jin, Hyun-Wook BE Sadayappan, P Parashar, M Badrinath, R Prasanna, VK TI Making a Case for Proactive Flow Control in Optical Circuit-Switched Networks SO HIGH PERFORMANCE COMPUTING - HIPC 2008, PROCEEDINGS SE Lecture Notes in Computer Science LA English DT Proceedings Paper CT 15th International Conference on High Performance Computing (HiPC 2008) CY DEC 17-20, 2008 CL Bangalore, INDIA SP IEEE Comp Soc, ACM SIGARCH, Infosys, DELL, NetApp, Intel, HP, IBM, Yahoo, Cray, Mellanox DE rate-based protocol; circuit switched; optical networks; LambdaGrid AB Optical circuit-switched networks such as National LambdaRail (NLR) offer dedicated bandwidth to support large-scale bulk data transfer. Though a dedicated circuit-switched network eliminates congestion from the network itself, it effectively "pushes" the congestion to the end hosts, resulting in lower-than-expected throughput. Previous approaches either use an ad-hoc proactive approach that does not generalize well or a sluggish reactive approach where the sending rate is only adapted based on synchronous feedback from the receiver. We address the shortcomings of such approaches using a two-step process. First, we improve the adaptivity of the reactive approach by proposing an asynchronous, fine-grained, rate based approach. While this approach enhances performance, its limitation is that it is still reactive. Consequently, we then analyze the predictive patterns of load on the receiver and provide strong evidence that a proactive approach is not only possible, but also necessary, to achieve the best performance in dynamically varying end-host conditions. C1 [Kumar, Mithilesh; Chaube, Vineeta; Feng, Wu-Chun] Virginia Tech, Dept Comp Sci, Blacksburg, VA 24061 USA. [Balaji, Pavan] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. [Jin, Hyun-Wook] Konkuk Univ, Dept Comp Sci & Engn, Seoul, South Korea. RP Kumar, M (reprint author), Virginia Tech, Dept Comp Sci, Blacksburg, VA 24061 USA. EM mithil@cs.vt.edu; vineetac@cs.vt.edu; balaji@cs.anl.gov; feng@cs.vt.edu; jinh@konkuk.ac.kr NR 16 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 978-3-540-89893-1 J9 LECT NOTES COMPUT SC PY 2008 VL 5374 BP 491 EP + PG 3 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods SC Computer Science GA BIT30 UT WOS:000262503000043 ER PT S AU Lindenberg, AM Engemann, S Gaffney, KJ Sokolowski-Tinten, K Larsson, J Reis, D Lorazo, P Hastings, JB AF Lindenberg, A. M. Engemann, S. Gaffney, K. J. Sokolowski-Tinten, K. Larsson, J. Reis, D. Lorazo, P. Hastings, J. B. BE Phipps, CR TI Femtosecond x-ray diffuse scattering measurements of semiconductor ablation dynamics SO HIGH-POWER LASER ABLATION VII, PTS 1-2 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on High-Power Laser Ablation VII CY APR 20-27, 2008 CL Taos, NM SP SPIE, Photon Associates, LLC, European Off Aerosp Res & Dev (United Kingdom) DE femtosecond; x-ray diffraction; ablation ID TRANSIENT MOLECULAR-STRUCTURES; ELECTRON-DIFFRACTION AB Femtosecond time-resolved small and wide-angle x-ray diffuse scattering techniques are applied to investigate the ultrafast nucleation processes that occur during the ablation process in semiconducting materials. Following intense optical excitation, a transient liquid state of high compressibility characterized by large-amplitude density fluctuations is observed and the build-up of these fluctuations is measured in real-time. Small-angle scattering measurements reveal the first steps in the nucleation of nanoscale voids below the surface of the semiconductor and support MD simulations of the ablation process. C1 [Lindenberg, A. M.; Engemann, S.; Gaffney, K. J.; Hastings, J. B.] Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. RP Lindenberg, AM (reprint author), Stanford Linear Accelerator Ctr, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA. NR 24 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 978-0-8194-7206-9 J9 PROC SPIE PY 2008 VL 7005 AR 700504 DI 10.1117/12.784094 PN 1-2 PG 8 WC Optics; Physics, Applied SC Optics; Physics GA BIE38 UT WOS:000258905800002 ER PT S AU Luo, SN Greenfield, SR Paisley, DL Johnson, RP Shimada, T Byler, DD Loomis, EN DiGiacomo, SN Patterson, BM McClellan, KJ Dickerson, RM Peralta, PD Koskelo, AC Tonks, DL AF Luo, S. N. Greenfield, S. R. Paisley, D. L. Johnson, R. P. Shimada, T. Byler, D. D. Loomis, E. N. DiGiacomo, S. N. Patterson, B. M. McClellan, K. J. Dickerson, R. M. Peralta, P. D. Koskelo, A. C. Tonks, D. L. BE Phipps, CR TI Long pulse laser driven shock wave loading for dynamic materials experiments SO HIGH-POWER LASER ABLATION VII, PTS 1-2 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on High-Power Laser Ablation VII CY APR 20-27, 2008 CL Taos, NM SP SPIE, Photon Associates, LLC, European Off Aerosp Res & Dev (United Kingdom) DE long pulse laser; shock waves; flyer plate; confined ablation; planarity; off-Hugoniot; quasi-isentropic ID INTERFEROMETER; VELOCITIES; SURFACE; METALS; SYSTEM AB We present two laser driven shock wave loading techniques utilizing long pulse lasers, laser-launched flyer plate and confined laser ablation, and their applications to shock physics. The full width at half maximum of the drive laser pulse ranges from 100 us to 10 mu s, and its energy, from 10 J to 1000 J. The drive pulse is smoothed with a. holographic optical element to achieve spatial homogeneity in loading. We characterize the flyer plate during flight and dynamically loaded target with temporally and spatially resolved diagnostics. The long duration and high energy of the drive pulse allow for shockless acceleration of thick flyer plates with 8 ruin diameter and 0.1-2 nun thickness. With transient imaging displacement interferometry and line-imaging velocimetry, we demonstrate that the planarity (bow and tilt) of the loading is within 2-7 mead (with an average of 4 +/- 1 mrad), similar to that in conventional techniques including gas gun loading. Plasma beating of target is negligible in particular when a plasma shield is adopted. For flyer plate loading, supported shock waves can be achieved. Temporal shaping of the drive pulse in confined laser ablation enables flexible loading; e.g., quasi-isentropic, Taylor-wave, and off-Hugoniot loading. These dynamic loading techniques using long pulse lasers (0.1-10 mu s) along with short pulse, lasers (1-10 ns) can be an accurate, versatile and efficient complement to conventional shock wave loading for investigating such dynamic: responses of materials as Hugoniot elastic limit, plasticity, spall, shock roughness, equation of state; phase transition, and metallurgical characteristics of shock-recovered samples, in a wide range of strain rates and pressures at meso- and macroscopic scales. C1 [Luo, S. N.; Greenfield, S. R.; Paisley, D. L.; Johnson, R. P.; Shimada, T.; Byler, D. D.; Loomis, E. N.; DiGiacomo, S. N.; Patterson, B. M.; McClellan, K. J.; Dickerson, R. M.; Koskelo, A. C.; Tonks, D. L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Luo, SN (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM sluo@lanl.gov OI Patterson, Brian/0000-0001-9244-7376 NR 37 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 978-0-8194-7206-9 J9 PROC SPIE PY 2008 VL 7005 AR 700514 DI 10.1117/12.782206 PN 1-2 PG 15 WC Optics; Physics, Applied SC Optics; Physics GA BIE38 UT WOS:000258905800029 ER PT S AU Moses, E AF Moses, E. BE Phipps, CR TI Multi-megajoule NIF: Ushering in a new era in high energy density science SO HIGH-POWER LASER ABLATION VII, PTS 1-2 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on High-Power Laser Ablation VII CY APR 20-27, 2008 CL Taos, NM SP SPIE, Photon Associates, LLC, European Off Aerosp Res & Dev (United Kingdom) DE National Ignition Facility (NIF); photon science (PS); Lawrence Livermore National Laboratory (LLNL); inertial confinement fusion (ICF) emission ID NATIONAL-IGNITION-FACILITY AB This paper describes the status of the stadium-sized National Ignition Facility (NIF), the world's largest laser system and first operational multi-megajoule laser. The 192-beam NIF, located at Lawrence Livermore National Laboratory (LLNL), is 96% complete and scheduled for completion in March 2009. The NIF laser will produce nanosecond laser pulses with energies up to approximately 4 MJ in the infrared (laser wavelength = 1.053-mu m) and 2MJ in the ultraviolet (laser wavelength = 0.35-mu m). With these energies NIF will access conditions of pressure and temperature not previously available on earth, allowing it to conduct experiments in support of the nation's national security, energy, and fundamental science goals. First ignition experiments at NIF are scheduled for FY2010. This paper will provide an overview of the NIF laser and the ignition, energy, and fundamental science activities at NIF. C1 Lawrence Livermore Natl Lab, Natl Ignit Facil & Photon Sci, Livermore, CA 94550 USA. RP Moses, E (reprint author), Lawrence Livermore Natl Lab, Natl Ignit Facil & Photon Sci, Livermore, CA 94550 USA. NR 11 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 978-0-8194-7206-9 J9 PROC SPIE PY 2008 VL 7005 AR 70050F DI 10.1117/12.782724 PN 1-2 PG 11 WC Optics; Physics, Applied SC Optics; Physics GA BIE38 UT WOS:000258905800010 ER PT S AU Sherrill, ME Abdallah, J Csanak, G Dodd, ES Fukuda, Y Akahane, Y Aoyama, M Inoue, N Ueda, H Yamakawa, K Faenov, AY Magunov, AI Pikuz, TA Skobelev, IY AF Sherrill, M. E. Abdallah, J., Jr. Csanak, G. Dodd, E. S. Fukuda, Y. Akahane, Y. Aoyama, M. Inoue, N. Ueda, H. Yamakawa, K. Faenov, A. Ya. Magunov, A. I. Pikuz, T. A. Skobelev, I. Yu. BE Phipps, CR TI Spectroscopic characterization of ultrashort laser driven targets incorporating both Boltzmann and particle-in-cell models SO HIGH-POWER LASER ABLATION VII, PTS 1-2 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on High-Power Laser Ablation VII CY APR 20-27, 2008 CL Taos, NM SP SPIE, Photon Associates, LLC, European Off Aerosp Res & Dev (United Kingdom) DE Boltzmann solver; particle-in-cell (PIC) code; He-alpha and satellite X-ray spectroscopy ID X-RAY; CLUSTERS; PLASMA; IRRADIATION; GENERATION; ELECTRON; PULSES; ENERGY; AR AB A model that solves simultaneously both the electron and atomic kinetics was used to generate synthetic X-ray spectra to characterize high intensity ultrashort-laser-driven target experiments. A particle-in-cell simulation was used to model the laser interaction for both cluster and foil targets and provided the initial electron energy distribution function (EEDF) for a Boltzmann solver. Previously reported success in the spectroscopic characterization of an irradiated Ar cluster target has motivated the authors to apply this technique in a. feasibility study to assess the possibility of recording time resolved spectra of a 10 micron Ti foil target irradiated by a 500 fs, I= 1.0 x 10(18)W/cm(2) short-pulse laser. Though this model suggests that both Ar cluster and Ti foil plasmas are held in a highly non-equilibrium state for both the EEDF and the ion level populations for several picoseconds, the spectral line features of the foil experiment; was shown to evolve too quickly to be seen by current ultrafast time resolved spectrometers. C1 [Sherrill, M. E.; Abdallah, J., Jr.; Csanak, G.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Sherrill, ME (reprint author), Los Alamos Natl Lab, Div Theoret, POB 1663, Los Alamos, NM 87545 USA. NR 24 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 978-0-8194-7206-9 J9 PROC SPIE PY 2008 VL 7005 AR 70051R DI 10.1117/12.784468 PN 1-2 PG 11 WC Optics; Physics, Applied SC Optics; Physics GA BIE38 UT WOS:000258905800047 ER PT S AU Wu, SSQ Soules, TF Page, RH Mitchell, SC Kanz, VK Beach, RJ AF Wu, Sheldon S. Q. Soules, Thomas F. Page, Ralph H. Mitchell, Scott C. Kanz, V. Keith Beach, Raymond J. BE Phipps, CR TI Resonance transition 795-nm rubidium laser using He buffer gas SO HIGH-POWER LASER ABLATION VII, PTS 1-2 SE Proceedings of SPIE LA English DT Proceedings Paper CT Conference on High-Power Laser Ablation VII CY APR 20-27, 2008 CL Taos, NM SP SPIE, Photon Associates, LLC, European Off Aerosp Res & Dev (United Kingdom) DE rubidium laser; diode pumped alkali laser; DPAL ID VAPOR LASER AB Resonance transition rubidium laser (5(2)P(1/2)-> 5(2)S(1/2)) is demonstrated with a hydrocarbon-free buffer gas. Prior demonstrations of alkali resonance transition lasers have used ethane as either the buffer gas or a buffer gas component to promote rapid fine-structure mixing. However, our experience suggests that the alkali vapor reacts with the ethane producing carbon as one of the reaction products. This degrades long term laser reliability. Our recent experimental results with a "clean" helium-only buffer gas system pumped by a Ti:sapphire laser demonstrate all the advantages of the original alkali laser system, but without the reliability issues associated with the use of ethane. We further report a demonstration of a rubidium laser using a buffer gas consisting of pure He-3. Using isotopically enriched He-3 gas yields enhanced mixing of the Rb fine-structure levels. This enables efficient lasing at reduced He buffer gas pressure, improved thermal management in high average power Rb lasers and enhanced power scaling potential of such systems. C1 [Wu, Sheldon S. Q.; Soules, Thomas F.; Page, Ralph H.; Mitchell, Scott C.; Kanz, V. Keith; Beach, Raymond J.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Wu, SSQ (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave, Livermore, CA 94551 USA. NR 11 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 978-0-8194-7206-9 J9 PROC SPIE PY 2008 VL 7005 AR 700523 DI 10.1117/12.782376 PN 1-2 PG 9 WC Optics; Physics, Applied SC Optics; Physics GA BIE38 UT WOS:000258905800057 ER PT J AU Alatas, A Sinn, H Zhao, JY Said, AH Leu, BM Sturhahn, W Alp, EE Shen, GY Prakapenka, VB AF Alatas, Ahmet Sinn, Harald Zhao, Jiyong Said, Ayman H. Leu, Bogdan M. Sturhahn, Wolfgang Alp, Ercan E. Shen, Guoyin Prakapenka, Vitali B. TI Experimental aspects of inelastic X-ray scattering studies on liquids under extreme conditions (P-T) SO HIGH PRESSURE RESEARCH LA English DT Article; Proceedings Paper CT International Workshop on Synchrotron High-Pressure Mineral Physics and Materials Science CY DEC 06-07, 2007 CL Chicago, IL SP Argonne Natl Lab, GSECARS, Geodyanm Res Ctr, Ehime Univ DE inelastic X-ray scattering; collective excitations; liquid indium; diamond anvil cell ID MICROSCOPIC DYNAMICS; ENERGY RESOLUTION; WAVE VELOCITIES; IRON; TEMPERATURES; PRESSURES; METALS; WATER; GPA AB In this study, collective excitations of liquid indium are studied just above the melting point at different pressures (1.7 GPa, 240 degrees C; 3.0 GPa, 300 degrees C; 4.0 GPa, 360 degrees C). The pressures and temperatures are achieved by the use of an externally heated diamond anvil cell. Clear evidence for the existence of propagating modes is observed from the dynamical structure factor at constant momentum transfer (Q) up to about 18 nm(-1). The reason for the observed high elastic-scattering background is identified, and its effects on the determination of elastic properties such as viscosity are discussed. C1 [Alatas, Ahmet; Sinn, Harald; Zhao, Jiyong; Said, Ayman H.; Leu, Bogdan M.; Sturhahn, Wolfgang; Alp, Ercan E.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Shen, Guoyin] Carnegie Inst Washington, Geophys Lab, HPCAT, Argonne, IL USA. [Shen, Guoyin] Carnegie Inst Washington, Geophys Lab, HPSynC, Argonne, IL USA. [Prakapenka, Vitali B.] Univ Chicago, Consortium Adv Radiat Sources, Chicago, IL 60637 USA. RP Alatas, A (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. EM alatas@aps.anl.gov RI Shen, Guoyin/D-6527-2011; Leu, Bogdan/J-9952-2015 OI Leu, Bogdan/0000-0003-2020-0686 NR 29 TC 2 Z9 2 U1 0 U2 3 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0895-7959 J9 HIGH PRESSURE RES JI High Pressure Res. PY 2008 VL 28 IS 3 BP 175 EP 183 DI 10.1080/08957950802208928 PG 9 WC Physics, Multidisciplinary SC Physics GA 354HK UT WOS:000259629400004 ER PT J AU Haskel, D Tseng, YC Souza-Neto, NM Lang, JC Sinogeikin, S Mudryk, Y Gschneidner, KA Pecharsky, VK AF Haskel, Daniel Tseng, Y. C. Souza-Neto, N. M. Lang, J. C. Sinogeikin, S. Mudryk, Ya. Gschneidner, K. A., Jr. Pecharsky, V. K. TI Magnetic spectroscopy at high pressures using X-ray magnetic circular dichroism SO HIGH PRESSURE RESEARCH LA English DT Article; Proceedings Paper CT International Workshop on Synchrotron High-Pressure Mineral Physics and Materials Science CY DEC 06-07, 2007 CL Chicago, IL SP Argonne Natl Lab, GSECARS, Geodyanm Res Ctr, Ehime Univ DE magnetism; X-ray magnetic circular dichroism; XMCD; synchrotron radiation; X-ray absorption ID POST-PEROVSKITE; TRANSITION; IRON; XMCD; GD-5(SIXGE1-X)(4); ABSORPTION; ORIGIN AB The imbalance in the electronic density of states between spin-up and spin-down electrons characteristic of ferro(ferri)-magnetic materials gives rise to X-ray magnetic circular dichroism (XMCD) in the absorption of circularly polarized X-rays with opposite helicity. These dichroic effects are largest near element-selective atomic resonances and can be used to probe ferro(ferri)-magnetic ordering with element- and electronic orbital-selectivity. We describe recent developments at the Advanced Photon Source that allow measurements of XMCD in a diamond anvil cell. We discuss the challenges associated with these measurements as well as their potential to further our understanding of complex magnetic materials. C1 [Haskel, Daniel; Tseng, Y. C.; Souza-Neto, N. M.; Lang, J. C.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Sinogeikin, S.] Carnegie Inst Sci, HPCAT, Argonne, IL USA. [Mudryk, Ya.; Gschneidner, K. A., Jr.; Pecharsky, V. K.] Iowa State Univ, Ames Lab, Mat & Engn Phys Program, Ames, IA USA. RP Haskel, D (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. EM haskel@aps.anl.gov RI Souza-Neto, Narcizo/G-1303-2010 OI Souza-Neto, Narcizo/0000-0002-7474-8017 NR 26 TC 11 Z9 11 U1 1 U2 7 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0895-7959 J9 HIGH PRESSURE RES JI High Pressure Res. PY 2008 VL 28 IS 3 BP 185 EP 192 DI 10.1080/08957950802020307 PG 8 WC Physics, Multidisciplinary SC Physics GA 354HK UT WOS:000259629400005 ER PT J AU Yan, J Adams, PD Angel, RJ Ross, NL Rivers, M Parise, JB Clark, SM AF Yan, J. Adams, P. D. Angel, R. J. Ross, N. L. Rivers, M. Parise, J. B. Clark, S. M. TI The development of an automated data analysis system for high-pressure powder diffraction data collected using an area detector SO HIGH PRESSURE RESEARCH LA English DT Article; Proceedings Paper CT International Workshop on Synchrotron High-Pressure Mineral Physics and Materials Science CY DEC 06-07, 2007 CL Chicago, IL SP Argonne Natl Lab, GSECARS, Geodyanm Res Ctr, Ehime Univ DE computer software; automation; high-pressure; powder diffraction ID CRYSTALLOGRAPHIC STRUCTURE DETERMINATION; SOFTWARE; PHENIX AB A program for the automation of the processing of powder diffraction data collected from an area detector is presented in this article. Encapsulation of existing software packages in wrapper programs can allow automation and linking of existing well-proven computer code. This eliminates the need to reinvest resources in developing new codes to meet evolving scientific needs. Here, we demonstrate this principle by automating the use of two programs commonly used in the processing of powder diffraction data from area detectors: fit2d and GSAS. C1 [Yan, J.; Clark, S. M.] Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. [Yan, J.; Angel, R. J.; Ross, N. L.] Virginia Tech, Dept Geosci, Blacksburg, VA USA. [Rivers, M.] Argonne Natl Lab, Adv Photon Source, GSE, CARS, Argonne, IL 60439 USA. [Parise, J. B.] SUNY Stony Brook, Dept Earth Sci, Stony Brook, NY 11794 USA. RP Clark, SM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. EM smclark@lbl.gov RI Angel, Ross/K-9924-2015; Adams, Paul/A-1977-2013; Clark, Simon/B-2041-2013 OI Angel, Ross/0000-0003-0861-398X; Adams, Paul/0000-0001-9333-8219; Clark, Simon/0000-0002-7488-3438 NR 10 TC 2 Z9 2 U1 1 U2 9 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0895-7959 J9 HIGH PRESSURE RES JI High Pressure Res. PY 2008 VL 28 IS 3 BP 293 EP 298 DI 10.1080/08957950802258006 PG 6 WC Physics, Multidisciplinary SC Physics GA 354HK UT WOS:000259629400015 ER PT J AU Scott, HP Kiefer, B Martin, CD Boateng, N Frank, MR Meng, Y AF Scott, Henry P. Kiefer, Boris Martin, C. David Boateng, Nana Frank, Mark R. Meng, Yue TI P-V equation of state for Fe(2)P and pressure-induced phase transition in Fe(3)P SO HIGH PRESSURE RESEARCH LA English DT Article; Proceedings Paper CT International Workshop on Synchrotron High-Pressure Mineral Physics and Materials Science CY DEC 06-07, 2007 CL Chicago, IL SP Argonne Natl Lab, GSECARS, Geodyanm Res Ctr, Ehime Univ DE phosphide; equation of state; bulk modulus; planetary cores; barringerite; schreibersite ID PROJECTOR AUGMENTED-WAVE; GENERALIZED-GRADIENT APPROXIMATION; TOTAL-ENERGY CALCULATIONS; EARTHS CORE; ULTRASOFT PSEUDOPOTENTIALS; NEUTRON-DIFFRACTION; MAGNETIC TRANSITION; SINGLE-CRYSTAL; BULK MODULUS; LIQUID-IRON AB As part of our ongoing investigations of elasticity and high-pressure stability in the Fe-P system, we have measured the room-temperature bulk modulus (K(0T)) of Fe(2)P, barringerite, to 8 GPa using in situ synchrotron X-ray diffraction and diamond anvil cells. A second-order fit (i.e. dK/dP fixed at 4) to our experimental data using the Birch-Murnaghan equation of state produces a K(0T) of 165 +/- 3 GPa. This value is similar to 4% less than the experimental values for Fe(3)P. For comparison with the experimental data, we have also performed first-principle theoretical calculations on this phase. For ferromagnetic Fe(2)P at zero pressure, we find that the magnetic moments increase rapidly for a Hubbard U > 1 eV and are significantly higher than observed experimentally. Thus, our results support previous findings that magnetism in Fe(2)P is largely itinerant with at most a minor component due to on-site correlation in the iron-3d shell. Additionally, we present new high-pressure diffraction data for a natural Fe(3)P, schreibersite, sample which conclusively demonstrate that a first-order phase transformation occurs between 15 and 20 GPa. C1 [Scott, Henry P.; Boateng, Nana] Indiana Univ, Dept Phys & Astron, South Bend, IN 46615 USA. [Kiefer, Boris] New Mexico State Univ, Dept Phys, Las Cruces, NM 88003 USA. [Martin, C. David] Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. [Frank, Mark R.] No Illinois Univ, Dept Geog & Environm Geosci, De Kalb, IL USA. [Meng, Yue] Carnegie Inst Washington, High Pressure Collaborat Access Team, Argonne, IL USA. RP Scott, HP (reprint author), Indiana Univ, Dept Phys & Astron, South Bend, IN 46615 USA. EM hpscott@iusb.edu RI Frank, Mark/E-6331-2015 NR 50 TC 10 Z9 12 U1 1 U2 9 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0895-7959 J9 HIGH PRESSURE RES JI High Pressure Res. PY 2008 VL 28 IS 3 BP 375 EP 384 DI 10.1080/08957950802246506 PG 10 WC Physics, Multidisciplinary SC Physics GA 354HK UT WOS:000259629400023 ER PT J AU Zhang, JZ Li, BS Zhao, YS AF Zhang, Jianzhong Li, Baosheng Zhao, Yusheng TI Pressure-induced shear-mode elastic softening in orthorhombic BaCe(0.85)Y(0.15)O(2.925) perovskite SO HIGH PRESSURE RESEARCH LA English DT Article; Proceedings Paper CT International Workshop on Synchrotron High-Pressure Mineral Physics and Materials Science CY DEC 06-07, 2007 CL Chicago, IL SP Argonne Natl Lab, GSECARS, Geodyanm Res Ctr, Ehime Univ DE perovskite; ultrasonic interferometry; X-ray diffraction; high pressure; elastic softening ID Y-DOPED BACEO3; WAVE VELOCITIES; MULTI-ANVIL; PROTON; APPARATUS; NACL; GPA AB Compressional and shear wave velocities of orthorhombic BaCe(0.85) Y(0.15) O(2.925) perovskite were measured at high pressures up to 8.1GPa by ultrasonic interferometry combined with energy-dispersive synchrotron X-ray diffraction. At room temperature, the adiabatic bulk modulus increases with increasing pressure, as expected for most polycrystalline materials. The shear modulus, however, show a negative dependence on pressure over a pressure range of similar to 2-8.1GPa. This anomalous elastic softening indicates destabilization of the orthorhombic structure in BaCe(0.85)Y(0.15)O(2.925) perovskite over the experimental pressure range and is presumably the precursor to the first-order phase transition previously observed at 22GPa using Raman spectroscopic study. C1 [Zhang, Jianzhong; Zhao, Yusheng] Los Alamos Natl Lab, LANSCE Div, Los Alamos, NM 87545 USA. [Li, Baosheng] SUNY Stony Brook, Inst Mineral Phys, Stony Brook, NY 11794 USA. RP Zhang, JZ (reprint author), Los Alamos Natl Lab, LANSCE Div, Los Alamos, NM 87545 USA. EM jzhang@lanl.gov RI Lujan Center, LANL/G-4896-2012; Li, Baosheng/C-1813-2013; OI Zhang, Jianzhong/0000-0001-5508-1782 NR 25 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 0895-7959 J9 HIGH PRESSURE RES JI High Pressure Res. PY 2008 VL 28 IS 3 BP 415 EP 421 DI 10.1080/08957950802097594 PG 7 WC Physics, Multidisciplinary SC Physics GA 354HK UT WOS:000259629400027 ER PT J AU Chen, JH Yang, YP Yu, T Zhang, JZ Zhao, YS Wang, LP AF Chen, Jiuhua Yang, Yunpeng Yu, Tony Zhang, Jianzhong Zhao, Yusheng Wang, Liping TI Strength measurement of boron suboxide B(6)O at high pressure and temperature using in situ synchrotron X-ray diffraction SO HIGH PRESSURE RESEARCH LA English DT Article; Proceedings Paper CT International Workshop on Synchrotron High-Pressure Mineral Physics and Materials Science CY DEC 06-07, 2007 CL Chicago, IL SP Argonne Natl Lab, GSECARS, Geodyanm Res Ctr, Ehime Univ DE boron suboxide; strength; high pressure and temperature; X-ray diffraction; anisotropy ID YIELD STRENGTH; LOWER MANTLE; DEFORMATION; PEROVSKITE; ELASTICITY; EQUATION; DIAMOND; STATE; B-12; MGO AB The strength of boron suboxide (B(6)O) was measured at high pressure and temperature up to 8GPa and 800 degrees C using diffraction peak broadening analysis. The sample was synthesized at 6GPa and 1750 degrees C. In situ energy dispersive X-ray diffraction was conducted at the X17B2 beamline of the National Synchrotron Light Source. The differential stress in the powdered sample was derived through deconvolution of peak broadening of diffraction lines (0 2 1) and (1 1 3) during the compression and heating. The sample shows anisotropic yielding along the two orientations. The (0 2 1) orientation does not show yielding within the investigated pressure range (8 GPa) whereas the (1 1 3) orientation yields at 5 GPa. Upon heating, significant weakening (yielding) was observed at temperatures above 400 degrees C. The yield temperature of boron suboxide is much lower than that of diamond, 1200 degrees C, but similar to that observed in moissanite (SiC). C1 [Chen, Jiuhua] Florida Int Univ, CeSMEC, Miami, FL 33199 USA. [Chen, Jiuhua; Yang, Yunpeng; Yu, Tony; Wang, Liping] SUNY Stony Brook, Inst Mineral Phys, Stony Brook, NY 11794 USA. [Chen, Jiuhua; Yang, Yunpeng; Yu, Tony; Wang, Liping] SUNY Stony Brook, Dept Geosci, Stony Brook, NY 11794 USA. [Zhang, Jianzhong; Zhao, Yusheng] Los Alamos Natl Lab, LANSCE Div, Los Alamos, NM USA. RP Chen, JH (reprint author), Florida Int Univ, CeSMEC, Miami, FL 33199 USA. EM chenj@fiu.edu RI Lujan Center, LANL/G-4896-2012; OI Zhang, Jianzhong/0000-0001-5508-1782 NR 32 TC 1 Z9 1 U1 0 U2 4 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0895-7959 J9 HIGH PRESSURE RES JI High Pressure Res. PY 2008 VL 28 IS 3 BP 423 EP 430 DI 10.1080/08957950802246498 PG 8 WC Physics, Multidisciplinary SC Physics GA 354HK UT WOS:000259629400028 ER PT J AU Casado, S Lorenzana, HE Caceres, M Taravillo, M Baonza, VG AF Casado, S. Lorenzana, H. E. Caceres, M. Taravillo, M. Baonza, V. G. TI Direct measurement of the liquid 4:1 methanol-ethanol equation of state up to 5GPa SO HIGH PRESSURE RESEARCH LA English DT Article DE methanol-ethanol; equation of state; diamond anvil cell AB Despite the widespread use of the 4:1 methanol-ethanol mixture as a hydrostatic medium by the high-pressure community, its equation of state (EOS) is usually substituted by that of pure methanol. Here we report accurate direct volumetric measurements of the room temperature EOS for this mixture up to 5GPa. A brief description of the optical technique (imaging+interferometric) specifically developed for this purpose is given, as well as the general characteristics of the required miniature diamond anvil cell. Our results are compared with the available data of similar pure fluids' EOS in the same pressure range. We find that there exist noticeable differences between the EOS of the mixture and that of pure methanol in terms of molar quantities. C1 [Casado, S.; Caceres, M.; Taravillo, M.; Baonza, V. G.] Univ Complutense Madrid, MALTA Consolider Team, Dept Quim Fis 1, Madrid, Spain. [Lorenzana, H. E.] Lawrence Livermore Natl Lab, Livermore, CA USA. RP Baonza, VG (reprint author), Univ Complutense Madrid, MALTA Consolider Team, Dept Quim Fis 1, Madrid, Spain. EM vgbaonza@quim.ucm.es RI Taravillo, Mercedes/G-2147-2011; Garcia Baonza, Valentin/L-3826-2014; Casado, Santiago/E-9566-2011; Caceres Alonso, Mercedes/G-8292-2015 OI Taravillo, Mercedes/0000-0003-1159-8530; Garcia Baonza, Valentin/0000-0001-9994-0980; Casado, Santiago/0000-0002-2242-1805; Caceres Alonso, Mercedes/0000-0002-8788-9660 FU MICINN [CSD2007-00045, MAT200613548-C02-01]; Comunidad de Madrid [CCG07-UCM/MAT-2403]; MEC-FPU FX This research was supported by MICINN under projects CSD2007-00045 (Consolider-Ingenio 2010) and MAT200613548-C02-01, and by the Comunidad de Madrid under grant CCG07-UCM/MAT-2403. S. Casado acknowledges support from the MEC-FPU grant program. NR 6 TC 1 Z9 1 U1 2 U2 4 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0895-7959 J9 HIGH PRESSURE RES JI High Pressure Res. PY 2008 VL 28 IS 4 BP 637 EP 640 AR PII 906729794 DI 10.1080/08957950802444804 PG 4 WC Physics, Multidisciplinary SC Physics GA 384HT UT WOS:000261736600036 ER PT S AU Holcomb, GR AF Holcomb, Gordon R. BE Steinmetz, P Wright, IG Galerie, A Monceau, D Mathieu, S TI Steam Oxidation of Advanced Steam Turbine Alloys SO HIGH TEMPERATURE CORROSION AND PROTECTION OF MATERIALS 7, PTS 1 AND 2 SE Materials Science Forum LA English DT Proceedings Paper CT 7th International Symposium on High Temperature Corrosion and Protection of Materials CY MAY 18-23, 2008 CL Les Embiez, FRANCE SP Nancy Univ, Inst Polytech Grenoble, Inst Polytech Toulouse, CEFRACOR, ONR Global, VEOLIA Environm, ORNL, St Gobain, EPRI, Snecma Grp SAFRAN, CNRS DE Chromia; Evaporation; Steam; Superalloy; Turbine; Ultra Supercritical ID COAL POWER-PLANTS AB Power generation from coal using ultra supercritical steam results in improved fuel efficiency and decreased greenhouse gas emissions. Results of ongoing research into the oxidation of candidate nickel-base alloys for ultra supercritical steam turbines are presented. Exposure conditions range from moist air at atmospheric pressure (650 degrees C to 800 degrees C) to steam at 34.5 MPa (650 degrees C to 760 degrees C). Parabolic scale growth coupled with internal oxidation and reactive evaporation of chromia are the primary corrosion mechanisms. C1 Natl Energy Technol Lab, Albany, OR 97321 USA. RP Holcomb, GR (reprint author), Natl Energy Technol Lab, 1450 Queen Ave SW, Albany, OR 97321 USA. EM Gordon.Holcomb@neti.doe.gov RI Holcomb, Gordon/G-9070-2013 OI Holcomb, Gordon/0000-0003-3542-5319 NR 13 TC 2 Z9 2 U1 1 U2 3 PU TRANS TECH PUBLICATIONS LTD PI STAFA-ZURICH PA LAUBLSRUTISTR 24, CH-8717 STAFA-ZURICH, SWITZERLAND SN 0255-5476 J9 MATER SCI FORUM PY 2008 VL 595-598 BP 299 EP 306 PG 8 WC Materials Science, Multidisciplinary SC Materials Science GA BIW45 UT WOS:000263369400038 ER PT S AU Wright, IG Sabau, AS Dooley, RB AF Wright, I. G. Sabau, A. S. Dooley, R. B. BE Steinmetz, P Wright, IG Galerie, A Monceau, D Mathieu, S TI DEVELOPMENT OF STRAIN IN OXIDES GROWN IN STEAM TUBES SO HIGH TEMPERATURE CORROSION AND PROTECTION OF MATERIALS 7, PTS 1 AND 2 SE Materials Science Forum LA English DT Proceedings Paper CT 7th International Symposium on High Temperature Corrosion and Protection of Materials CY MAY 18-23, 2008 CL Les Embiez, FRANCE SP Nancy Univ, Inst Polytech Grenoble, Inst Polytech Toulouse, CEFRACOR, ONR Global, VEOLIA Environm, ORNL, St Gobain, EPRI, Snecma Grp SAFRAN, CNRS DE exfoliation; steam oxidation; computation of strains in oxides ID RESIDUAL-STRESSES; BEHAVIOR; SCALES; CYLINDERS AB In this study, the foundation is being developed for the numerical simulation of the processes that determine the oxide scale exfoliation behavior of the steam-side surfaces of superheater and reheater tubes in a steam boiler. Initially, the assumptions concerning the base state for calculating oxide strains also were critically examined. The state of stress-strain of an oxide growing on the inside surface of an externally-heated tube was considered for the conditions experienced in a boiler during transition from full- to partial-load operation. Since the rate at which the oxide grows is an important consideration, it was necessary to determine the appropriate temperature to use in the oxidation rate calculations. The existence of a temperature gradient through the tube, and the cyclic nature of the boiler operation (temperature and pressure) were considered; the growth temperature of the oxide was taken to be the oxide surface temperature. It was determined that the commonly-used approach for accounting for geometrical effects when calculating stress-strain development in a growing oxide scale of using the analogy of an infinitely-long flat plate gave sufficiently different results than when using a cylindrical geometry, that the latter was adopted as the preferred calculation procedure. Preliminary calculation of strains developed in multilayered oxides formed on alloy T22 as a function of boiler operating conditions indicated the magnitude of the strains in each layer; the large strain gradients between the layers inferred the importance of the detailed scale morphology in determining the mode of exfoliation. C1 [Wright, I. G.; Sabau, A. S.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Dooley, R. B.] Struct Integr Associates Inc, Toronto, ON L6J 7L7, Canada. RP Wright, IG (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM wrightig@ornl.gov; sabaua@ornl.gov; bdooley@structint.com; wrightig@ornl.gov RI Sabau, Adrian/B-9571-2008 OI Sabau, Adrian/0000-0003-3088-6474 NR 23 TC 15 Z9 16 U1 1 U2 4 PU TRANS TECH PUBLICATIONS LTD PI STAFA-ZURICH PA LAUBLSRUTISTR 24, CH-8717 STAFA-ZURICH, SWITZERLAND SN 0255-5476 J9 MATER SCI FORUM PY 2008 VL 595-598 BP 387 EP 395 PG 9 WC Materials Science, Multidisciplinary SC Materials Science GA BIW45 UT WOS:000263369400047 ER PT S AU Matyas, J Sundaram, SK Hicks, BJ Edmondson, AB Arrigoni, BM AF Matyas, J. Sundaram, S. K. Hicks, B. J. Edmondson, A. B. Arrigoni, B. M. BE Steinmetz, P Wright, IG Galerie, A Monceau, D Mathieu, S TI Slag-Refractory Interaction in Slagging Coal Gasifiers SO HIGH TEMPERATURE CORROSION AND PROTECTION OF MATERIALS 7, PTS 1 AND 2 SE Materials Science Forum LA English DT Proceedings Paper CT 7th International Symposium on High Temperature Corrosion and Protection of Materials CY MAY 18-23, 2008 CL Les Embiez, FRANCE SP Nancy Univ, Inst Polytech Grenoble, Inst Polytech Toulouse, CEFRACOR, ONR Global, VEOLIA Environm, ORNL, St Gobain, EPRI, Snecma Grp SAFRAN, CNRS DE Coal Slag; High-Chromia Refractory; Slag Penetration; Viscosity; Contact Angle; Iron-Chromium Spinel; Slagging Gasifier AB The combustion chamber of slagging coal gasifiers is lined with refractories to protect the steel shell of the gasifier from elevated temperatures and corrosive attack of the coal slag. Refractories composed primarily of Cr(2)O(3) have been found most resistant to slag corrosion but they continue to fail performance requirements. Post-mortem analysis of high-chromia refractory bricks collected from commercial gasifiers suggests that slag penetration and subsequent spalling of refractory are the cause of the short service life of gasifier refractories [1]. Laboratory tests were conducted to determine the penetration depth of three slags representative of a wide variety of coals in the United States into chromia-alumina and two high-chromia refractories. Variables tested were refractory-slag combinations and two partial pressures of O(2). Slag penetration depths were measured from spliced images of each refractory. Samples heated to 1470 degrees C for 2 hrs had maximum penetration depths ranging from 1.99 +/- 0.15 mm to at least 21.6 mm. Aurex 95P, a high-chromia refractory containing 3.3% phosphorous pentoxide (P(2)O(5)), showed the least slag penetration of all refractories tested. P(2)O(5) likely reacts with CaO and MgO in the slag, forming an immiscible Ca-Mg phosphate phase. The extraction of basic components from slag causes an increase in slag viscosity restricting the molten slag penetration into the refractory. C1 [Matyas, J.; Sundaram, S. K.; Hicks, B. J.; Edmondson, A. B.; Arrigoni, B. M.] Pacific NW Natl Lab, Richland, WA 99354 USA. RP Matyas, J (reprint author), Pacific NW Natl Lab, 350 Hills St, Richland, WA 99354 USA. EM Josef.Matyas@pnl.gov; SK.Sundaram@pnl.gov; bjh@byu.edu; Autumn.Edmondson@pnl.gov; Benjamin.Arrigoni@pnl.gov OI Hicks, Brent/0000-0003-4582-2326 NR 7 TC 8 Z9 8 U1 0 U2 2 PU TRANS TECH PUBLICATIONS LTD PI STAFA-ZURICH PA LAUBLSRUTISTR 24, CH-8717 STAFA-ZURICH, SWITZERLAND SN 0255-5476 J9 MATER SCI FORUM PY 2008 VL 595-598 BP 397 EP 405 PG 9 WC Materials Science, Multidisciplinary SC Materials Science GA BIW45 UT WOS:000263369400048 ER PT S AU Pint, BA AF Pint, B. A. BE Steinmetz, P Wright, IG Galerie, A Monceau, D Mathieu, S TI Overview of coating and compatibility research for Fusion Energy in the US SO HIGH TEMPERATURE CORROSION AND PROTECTION OF MATERIALS 7, PTS 1 AND 2 SE Materials Science Forum LA English DT Proceedings Paper CT 7th International Symposium on High Temperature Corrosion and Protection of Materials CY MAY 18-23, 2008 CL Les Embiez, FRANCE SP Nancy Univ, Inst Polytech Grenoble, Inst Polytech Toulouse, CEFRACOR, ONR Global, VEOLIA Environm, ORNL, St Gobain, EPRI, Snecma Grp SAFRAN, CNRS DE fusion energy; liquid metals; refractory metals; lithium; SiC composites ID DUAL COOLANT BLANKET; ELECTRICALLY INSULATING COATINGS; CORROSION BEHAVIOR; VANADIUM ALLOYS; PB-17LI; LITHIUM; ISSUES; ITER; PERMEATION; OXIDATION AB Planning for a U.S. test blanket module to operate in the internationally-sponsored ITER reactor has focused attention on the many coating and compatibility issues that will need to be solved before fusion energy moves from concept to commercial reality. Examples are given for (1) a dual-layer, electrically-resistant coating as a potential solution to reduce the magnetohydrodynamic pressure drop with liquid Li and (2) materials compatibility issues with eutectic Pb-Li for conventional alloys and SiC/SiC composites. Because of the reduced activity of Li in Pb-Li, a wider range of functional materials can be considered in this system. Nevertheless, an Al(2)O(3) scale on FeCrAl was transformed to LiAlO(2) after exposure to Pb-Li at 800 degrees C. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Pint, BA (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM pintba@ornl.gov RI Pint, Bruce/A-8435-2008 OI Pint, Bruce/0000-0002-9165-3335 NR 29 TC 7 Z9 7 U1 0 U2 0 PU TRANS TECH PUBLICATIONS LTD PI STAFA-ZURICH PA LAUBLSRUTISTR 24, CH-8717 STAFA-ZURICH, SWITZERLAND SN 0255-5476 J9 MATER SCI FORUM PY 2008 VL 595-598 BP 549 EP 558 PG 10 WC Materials Science, Multidisciplinary SC Materials Science GA BIW45 UT WOS:000263369400063 ER PT S AU Hurley, JP Kelley, C Bornstein, N Wright, IG AF Hurley, John P. Kelley, Carl Bornstein, Norman Wright, Ian G. BE Steinmetz, P Wright, IG Galerie, A Monceau, D Mathieu, S TI Corrosion of MA754 and MA956 in a Commercial Aluminum Melter SO HIGH TEMPERATURE CORROSION AND PROTECTION OF MATERIALS 7, PTS 1 AND 2 SE Materials Science Forum LA English DT Proceedings Paper CT 7th International Symposium on High Temperature Corrosion and Protection of Materials CY MAY 18-23, 2008 CL Les Embiez, FRANCE SP Nancy Univ, Inst Polytech Grenoble, Inst Polytech Toulouse, CEFRACOR, ONR Global, VEOLIA Environm, ORNL, St Gobain, EPRI, Snecma Grp SAFRAN, CNRS DE MA956; MA754; Corrosion; Aluminum melter AB The University of North Dakota Energy & Environmental Research Center is working with Oak Ridge National Laboratory to test two oxide dispersion-strengthened alloys that could be,e used to construct very high-temperature heat recuperators for the aluminum-melting industry. For the initial tests, uncooled rings of MA754 and MA956 piping were exposed for 5(1)/(2) months to gases leaving an aluminum melter furnace at 1200 degrees-1290 degrees C. The MA956 Suffered spotty areas of severe conosion and lost 25% of its weight. Scanning electron microscopy showed that there were small spots of alkali-rich corrosion products on the alloy surfaces, indicating the impact of droplets of fluxing agents. The corrosion products in these areas were mixed Fe, Cr, and Al oxides, which were depleted in Cr near the gas surface. However, Al concentrations in the remaining metal were typically between 3.5% and 4.0%, so there was a sufficient reservoir of Al remaining in the alloy to prevent simple breakaway corrosion which could have occurred if the Al were significantly depleted. The MA754 lost approximately 15% of its weight and showed void formation within 2 turn of the gas-metal surfaces. Within the porous area, the Cr had largely segregated into oxide precipitates up to 50 mu m in diameter, leaving the remaining metal Ni-rich. Below the porous layer, the alloy composition was relatively unchanged. Remains of Na- and Al-rich particles that had impacted the surface sporadically were visible but had not obviously affected the surface scale as they had with the MA956. C1 [Hurley, John P.] Univ N Dakota, Energy & Environm Res Ctr, Grand Forks, ND 58202 USA. [Kelley, Carl] Nat Fuel, Ft Wayne, IN 46825 USA. [Wright, Ian G.] Oak Ridge Natl Lab, Corros Sci & Technol Grp, Oak Ridge, TN 37831 USA. RP Hurley, JP (reprint author), Univ N Dakota, Energy & Environm Res Ctr, 15 N 23rd St,Stop 9018, Grand Forks, ND 58202 USA. EM ajhurley@undeerc.org; bckelley@saalloys.com; cnormanbornstein@sbcglobal.net; dwrightig@ornl.gov; dwrightig@ornl.gov NR 6 TC 1 Z9 1 U1 0 U2 1 PU TRANS TECH PUBLICATIONS LTD PI STAFA-ZURICH PA LAUBLSRUTISTR 24, CH-8717 STAFA-ZURICH, SWITZERLAND SN 0255-5476 J9 MATER SCI FORUM PY 2008 VL 595-598 BP 611 EP 619 PG 9 WC Materials Science, Multidisciplinary SC Materials Science GA BIW45 UT WOS:000263369400070 ER PT S AU Brady, MP Yamamoto, Y Pint, BA Santella, ML Maziasz, PJ Walker, LR AF Brady, M. P. Yamamoto, Y. Pint, B. A. Santella, M. L. Maziasz, P. J. Walker, L. R. BE Steinmetz, P Wright, IG Galerie, A Monceau, D Mathieu, S TI On the Loss of Protective Scale Formation in Creep-Resistant, Alumina-Forming Austenitic Stainless Steels at 900 degrees C in Air SO HIGH TEMPERATURE CORROSION AND PROTECTION OF MATERIALS 7, PTS 1 AND 2 SE Materials Science Forum LA English DT Proceedings Paper CT 7th International Symposium on High Temperature Corrosion and Protection of Materials CY MAY 18-23, 2008 CL Les Embiez, FRANCE SP Nancy Univ, Inst Polytech Grenoble, Inst Polytech Toulouse, CEFRACOR, ONR Global, VEOLIA Environm, ORNL, St Gobain, EPRI, Snecma Grp SAFRAN, CNRS DE austenitic stainless steel; alumina; internal oxidation; third-element effect ID OXIDATION; ALLOYS; TEMPERATURE; NITRIDATION AB A family of creep-resistant, Al(2)O(3)-forming austenitic (AFA) stainless steels was recently developed. The alloys exhibit excellent oxidation resistance up to similar to 800 degrees C, but are susceptible to internal attack of Al at higher temperatures. In the present work, higher levels of Ni, Cr, Al, and Nb additions were found to correlate with improved oxidation behavior at 900 degrees C in air. The alloys generally appeared to be initially capable of external Al(2)O(3) scale formation, with a subsequent transition to internal attack of Al (internal oxidation and internal nitridation) that is dependent on alloy composition. Compositional profiles at the alloy/scale interface suggest that the transition to internal oxidation is preceded by subsurface depletion of Al in the lower-Al compositions. In higher Al-containing compositions, NiAl second-phase precipitates act as an Al reservoir, and Al depletion may not be a key factor. Alloy design directions to increase the upper-temperature limit of protective Al(2)O(3) scale formation in these alloys are discussed. C1 [Brady, M. P.; Yamamoto, Y.; Pint, B. A.; Santella, M. L.; Maziasz, P. J.; Walker, L. R.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Brady, MP (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM bradymp@ornl.gov; yarnamotoy@ornl.gov; pintba@ornl.gov; santellaml@ornl.gov; maziaszpj@ornl.gov; walkerlr@ornl.gov RI Brady, Michael/A-8122-2008; Pint, Bruce/A-8435-2008; OI Brady, Michael/0000-0003-1338-4747; Pint, Bruce/0000-0002-9165-3335; Maziasz, Philip/0000-0001-8207-334X NR 15 TC 13 Z9 15 U1 0 U2 5 PU TRANS TECH PUBLICATIONS LTD PI STAFA-ZURICH PA LAUBLSRUTISTR 24, CH-8717 STAFA-ZURICH, SWITZERLAND SN 0255-5476 J9 MATER SCI FORUM PY 2008 VL 595-598 BP 725 EP 732 PG 8 WC Materials Science, Multidisciplinary SC Materials Science GA BIW45 UT WOS:000263369400082 ER PT S AU Pint, BA Porter, WD Wright, IG AF Pint, B. A. Porter, W. D. Wright, I. G. BE Steinmetz, P Wright, IG Galerie, A Monceau, D Mathieu, S TI The Effect of Thermal Expansion on Spallation Behavior of Fe-Base Alumina-Forming Alloys SO HIGH TEMPERATURE CORROSION AND PROTECTION OF MATERIALS 7, PTS 1 AND 2 SE Materials Science Forum LA English DT Proceedings Paper CT 7th International Symposium on High Temperature Corrosion and Protection of Materials CY MAY 18-23, 2008 CL Les Embiez, FRANCE SP Nancy Univ, Inst Polytech Grenoble, Inst Polytech Toulouse, CEFRACOR, ONR Global, VEOLIA Environm, ORNL, St Gobain, EPRI, Snecma Grp SAFRAN, CNRS DE FeCrAl; Fe(Al); thermal expansion coefficient; intermetallics; spallation resistance ID HIGH-TEMPERATURE OXIDATION; IRON ALUMINIDES; AL ALLOYS; PERFORMANCE; SUPERALLOYS; SCALES AB Long-term cyclic oxidation behavior was compared for commercial FeCrAl alloys and mode. Fe-Al and FeCrAl alloys, and their coefficients of thermal expansion (CTE) were measured. For single-phase disordered (ferritic) Fe(Al) alloys, the CTE increased only slightly with Al content and was similar to that of FeCrAl alloys. More significant CTE increases were observed at >= 20%Al, as intermetallic phases, Fe(3)Al and FeAl, formed. As expected, the intermetallic compositions showed increased oxide spallation rates during cyclic oxidation at 1100 degrees and 1200 degrees C. However, after extensive spallation and loss of Al from the substrate, the compositions of Fe(3)Al and FeAl specimens entered the ferritic phase field, and the amount of scale spallation decreased. Among commercial oxide dispersion strengthened (ODS) FeCrAl alloys, a composition containing Mo (ODM751) exhibited the lowest thermal expansion and showed the slowest degradation rate in long-term testing at 1100 degrees C. The concept of minimizing CTE as a route for alloy development was investigated. C1 [Pint, B. A.; Porter, W. D.; Wright, I. G.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Pint, BA (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM pintba@ornl.gov RI Pint, Bruce/A-8435-2008 OI Pint, Bruce/0000-0002-9165-3335 NR 29 TC 8 Z9 9 U1 0 U2 4 PU TRANS TECH PUBLICATIONS LTD PI STAFA-ZURICH PA LAUBLSRUTISTR 24, CH-8717 STAFA-ZURICH, SWITZERLAND SN 0255-5476 J9 MATER SCI FORUM PY 2008 VL 595-598 BP 1083 EP 1092 PG 10 WC Materials Science, Multidisciplinary SC Materials Science GA BIW45 UT WOS:000263369400122 ER PT S AU Garimella, N Brady, MP Sohn, YH AF Garimella, N. Brady, M. P. Sohn, Y. H. BE Steinmetz, P Wright, IG Galerie, A Monceau, D Mathieu, S TI Ternary and Quaternary Interdiffusion in gamma (fcc) Fe-Ni-Cr-X (X = Si, Ge) Alloys at 900 degrees C SO HIGH TEMPERATURE CORROSION AND PROTECTION OF MATERIALS 7, PTS 1 AND 2 SE Materials Science Forum LA English DT Proceedings Paper CT 7th International Symposium on High Temperature Corrosion and Protection of Materials CY MAY 18-23, 2008 CL Les Embiez, FRANCE SP Nancy Univ, Inst Polytech Grenoble, Inst Polytech Toulouse, CEFRACOR, ONR Global, VEOLIA Environm, ORNL, St Gobain, EPRI, Snecma Grp SAFRAN, CNRS DE Multicomponent diffusion; interdiffusion coefficients; Austenitic alloys ID OXIDATION RESISTANCE; DIFFUSION COUPLES; PD ALLOYS; SILICON; COEFFICIENTS; ADDITIONS; ELEMENTS; AL AB Interdiffusion in Fe-Ni-Cr (fcc gamma phase) alloys with small additions of Si and Ge at 900 degrees C was studied using solid-to-solid diffusion couples. Alloy rods of Fe-24 at.%Ni, Fe-24 at.%Ni-22at.%Cr, Fe-24 at.%Ni-22at.%Cr-4at.%Si and Fe-24 at.%Ni-22at.%Cr-1.7at.%Ge were cast using arc-melt, and homogenized at 900 degrees C for 168 hours. Sectioned alloy disks from the rods were polished, and diffusion couples were assembled with in Invar steel jig, encapsulated in Argon after several hydrogen flushes, and annealed atz 900 degrees C for 168 hours. Polished cross-sections of the diffusion couples were characterized to determine experimental concentration profiles using electron probe microanalysis with pure elemental standards. Interdiffusion fluxes of individual components were calculated directly from the experimental concentration profiles, and the moments of interdiffusion flux profiles were examined to determine the average ternary and quaternary interdiffusion coefficients. Effects of alloying additions on the interdiffusional behavior of Fe-Ni-Cr-X alloys at 900 degrees C are presented with due consideration for the formation of protective Cr(2)O(3) scale. C1 [Garimella, N.; Sohn, Y. H.] Univ Cent Florida, Adv Mat Proc & Anal Ctr, Orlando, FL 32816 USA. [Garimella, N.; Sohn, Y. H.] Univ Cent Florida, Dept Mech Mat & Aerosp Engn, Orlando, FL 32816 USA. [Brady, M. P.] Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN USA. RP Garimella, N (reprint author), Univ Cent Florida, Adv Mat Proc & Anal Ctr, Orlando, FL 32816 USA. EM garimella_n@yahoo.com; bradymp@ornl.gov; ysohn@mail.ucf.edu RI Brady, Michael/A-8122-2008 OI Brady, Michael/0000-0003-1338-4747 NR 18 TC 1 Z9 1 U1 1 U2 2 PU TRANS TECH PUBLICATIONS LTD PI STAFA-ZURICH PA LAUBLSRUTISTR 24, CH-8717 STAFA-ZURICH, SWITZERLAND SN 0255-5476 J9 MATER SCI FORUM PY 2008 VL 595-598 BP 1145 EP 1152 PG 8 WC Materials Science, Multidisciplinary SC Materials Science GA BIW45 UT WOS:000263369400129 ER PT J AU Xing, C Wang, SQ Pharr, GM Groom, LH AF Xing, Cheng Wang, Siqun Pharr, George M. Groom, Leslie H. TI Effect off thermo-mechanical reffering pressure on the properties of wood fibers as measured by nanindentation and atomic force microscopy SO HOLZFORSCHUNG LA English DT Article DE atomic force microscopy (AFM); nanoindentation; nano-mechanical properties; refined fiber; thermomechanical refining ID MECHANICAL-PROPERTIES; LOBLOLLY-PINE; CELL-WALLS; NANOINDENTATION; HARDNESS; DENSITY; PERFORMANCE; MODULUS AB Refined wood fibers of a 54-year-old loblolly pine (Pinus taeda L.) mature wood were investigated by nanoindentation and atomic force microscopy (AFM). The effect of steam pressure, in the range of 2-18 bar, during thermomechanical refining was investigated and the nanomechanical properties and nano- or micro-level damages of the cell wall were evaluated. The results indicate that refining pressure has important effects on the physical and mechanical properties of refined fibers. No obvious damage was observed in the cell walls at pressures between 2 and 4 bar. Nano-cracks (most less than 500 nm in width) were found in fibers at pressures in the range of 6-12 bar, and micro-cracks (more than 5 mu m in width) were found in fibers subjected to pressures of 14 and 18 ban The damages caused at higher pressures were more severe in layers close to the lumen than on the fiber surfaces. Under special circumstances, the S, layer was heavily damaged. The natural shape of the cross sectional dimensions of the cell walls was not changed at lower pressures (2 and 4 bar), but, as pressure was increased, the fibers tended to collapse. At pressures around 18 bar, the lumina were augmented again. The nano-mechanical properties in terms of elastic modulus and hardness were obviously decreased, while nanoindentation creep increased with refining pressure. C1 [Xing, Cheng; Wang, Siqun] Univ Tennessee, Tennessee Forest Prod Ctr, Knoxville, TN 37996 USA. [Pharr, George M.] Univ Tennessee, Dept Mat Sci, Knoxville, TN USA. [Pharr, George M.] Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN USA. [Groom, Leslie H.] USDA, So Res Stn, Forest Serv, Pineville, LA USA. RP Wang, SQ (reprint author), Univ Tennessee, Tennessee Forest Prod Ctr, 2506 Jacob Dr, Knoxville, TN 37996 USA. EM swang@utk.edu RI Xing, Cheng/N-3516-2013 OI Xing, Cheng/0000-0002-8263-8889 NR 26 TC 24 Z9 28 U1 1 U2 8 PU WALTER DE GRUYTER & CO PI BERLIN PA GENTHINER STRASSE 13, D-10785 BERLIN, GERMANY SN 0018-3830 J9 HOLZFORSCHUNG JI Holzforschung PY 2008 VL 62 IS 2 BP 230 EP 236 DI 10.1515/HF.2008.050 PG 7 WC Forestry; Materials Science, Paper & Wood SC Forestry; Materials Science GA 272IN UT WOS:000253853200017 ER PT J AU WoldeGabriel, G Gilbert, WH Hart, WK Renne, PR Ambrose, SH AF WoldeGabriel, Giday Gilbert, W. Henry Hart, William K. Renne, Paul R. Ambrose, Stanley H. BE Gilbert, WH Asfaw, B TI Geology and Geochronology SO HOMO ERECTUS: PLEISTOCENE EVIDENCE FROM THE MIDDLE AWASH, ETHIOPIA SE Middle Awash Series LA English DT Article; Book Chapter C1 [WoldeGabriel, Giday] Los Alamos Natl Lab, Div Earth & Environm Sci, Environm Geol & Spatial Anal Grp, Los Alamos, NM 87545 USA. [Renne, Paul R.] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. [Renne, Paul R.] Berkeley Geochronol Ctr, Berkeley, CA USA. [Gilbert, W. Henry] Univ Calif Berkeley, Human Evolut Res Ctr, Berkeley, CA 94720 USA. [Gilbert, W. Henry] Calif State Univ, Dept Anthropol, E Bay, CA USA. [Ambrose, Stanley H.] Univ Illinois, Dept Anthropol, Ctr African Studies,Program Ecol & Evolutionary B, Nutr Sci Interdisciplinary Grad Program, Urbana, IL 61801 USA. [Hart, William K.] Miami Univ, Dept Geol, Geol Field Stn, Oxford, OH 45056 USA. RP WoldeGabriel, G (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, Environm Geol & Spatial Anal Grp, Los Alamos, NM 87545 USA. NR 0 TC 5 Z9 5 U1 1 U2 1 PU UNIV CALIFORNIA PRESS PI BERKELEY PA 2120 BERKELEY WAY, BERKELEY, CA 94720 USA BN 978-0-520-93377-4 J9 MID AWASH SER PY 2008 VL 1 BP 13 EP 43 PG 31 WC Anthropology SC Anthropology GA BXF32 UT WOS:000295938500005 ER PT J AU Efroymson, RA Peterson, MJ Jones, DS Suter, GW AF Efroymson, Rebecca A. Peterson, Mark J. Jones, Daniel S. Suter, Glenn W., II TI The Apache Longbow-Hellfire Missile Test at Yuma Proving Ground: Introduction and Problem Formulation for a Multiple Stressor Risk Assessment SO HUMAN AND ECOLOGICAL RISK ASSESSMENT LA English DT Article DE problem formulation; military; ecological risk assessment; Sonoran desert; mule deer; desert wash ID DESERT MULE DEER; ALTITUDE AIRCRAFT OVERFLIGHTS; ASSESSMENT FRAMEWORK; MILITARY MANEUVERS; ECOLOGICAL RISKS; MOJAVE DESERT; HABITAT USE; LANDSCAPES AB An ecological risk assessment was conducted at Yuma Proving Ground, Arizona, as a demonstration of the Military Ecological Risk Assessment Framework (MERAF). The focus of the assessment was a testing program at the Cibola Range, which involved an Apache Longbow helicopter firing Hellfire missiles at moving targets, that is, M60-A1 tanks. The problem formulation for the assessment included conceptual models for three component activities of the test, helicopter overflight, missile firing, and tracked vehicle movement, and two ecological endpoint entities, woody desert wash communities and desert mule deer (Odocoileus hemionus crooki) populations. An activity-specific risk assessment framework was available to provide guidance for assessing risks associated with aircraft overflights. Key environmental features of the assessment area include barren desert pavement and tree-lined desert washes. The primary stressors associated with helicopter overflights were sound and the view of the aircraft. The primary stressor associated with Hellfire missile firing was sound. The principal stressor associated with tracked vehicle movement was soil disturbance, and a resulting, secondary stressor was hydrological change. Water loss to desert washes and wash vegetation was expected to result from increased ponding, infiltration, and/or evaporation associated with disturbances to desert pavement. A plan for estimating integrated risks from the three military activities was included in the problem formulation. C1 [Efroymson, Rebecca A.; Peterson, Mark J.; Jones, Daniel S.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Suter, Glenn W., II] US EPA, Natl Ctr Environm Assessment, Cincinnati, OH 45268 USA. RP Efroymson, RA (reprint author), Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. EM efroymsonra@ornl.gov OI Efroymson, Rebecca/0000-0002-3190-880X FU U. S. Government [DE-AC05-00OR22725] FX This article has been authored by a contractor of the U. S. Government under contract DE-AC05-00OR22725. Accordingly, the U. S. Government retains a nonexclusive, royalty-free license to publish or reproduce the published form of this contribution, or allow others to do so, for U. S. Government purposes. NR 34 TC 1 Z9 1 U1 0 U2 8 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 1080-7039 J9 HUM ECOL RISK ASSESS JI Hum. Ecol. Risk Assess. PY 2008 VL 14 IS 5 BP 854 EP 870 DI 10.1080/10807030802387457 PG 17 WC Biodiversity Conservation; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 378QC UT WOS:000261338000002 ER PT J AU Efroymson, RA Hargrove, WW Suter, GW AF Efroymson, Rebecca A. Hargrove, William W. Suter, Glenn W., II TI The Apache Longbow-Hellfire Missile Test at Yuma Proving Ground: Ecological Risk Assessment for Helicopter Overflight SO HUMAN AND ECOLOGICAL RISK ASSESSMENT LA English DT Article DE ecological risk assessment; aircraft overflight; mule deer; noise; noise; contour; sound ID ALTITUDE AIRCRAFT OVERFLIGHTS; MULE DEER; ASSESSMENT FRAMEWORK; MOUNTAIN SHEEP; RESPONSES; CARIBOU AB A multi-stressor risk assessment was conducted at Yuma Proving Ground, Arizona, as a demonstration of the Military Ecological Risk Assessment Framework. The focus of the assessment was a testing program at Cibola Range, which involved an Apache Longbow helicopter firing Hellfire missiles at moving targets, that is, M60-A1 tanks. This article focuses on the wildlife risk assessment for the helicopter overflight. The primary stressors were sound and the view of the aircraft. Exposure to desert mule deer (Odocoileus hemionus crooki) was quantified using Air Force sound contour programs NOISEMAP and MR NMAP, which gave very different results. Slant distance from helicopters to deer was also used as a measure of exposure that integrated risk from sound and view of the aircraft. Exposure-response models for the characterization of effects consisted of behavioral thresholds in sound exposure level or maximum sound level units or slant distance. Available sound thresholds were limited for desert mule deer, but a distribution of slant-distance thresholds was available for ungulates. The risk characterization used a weight-of-evidence approach and concluded that risk to mule deer behavior from the Apache overflight is uncertain, but that no risk to mule deer abundance and reproduction is expected. C1 [Efroymson, Rebecca A.; Hargrove, William W.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Suter, Glenn W., II] US EPA, Natl Ctr Environm Assessment, Cincinnati, OH 45268 USA. RP Efroymson, RA (reprint author), Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. EM efroymsonra@ornl.gov OI Efroymson, Rebecca/0000-0002-3190-880X FU U. S. Government [DE-AC05-00OR22725] FX This article has been authored by a contractor of the U. S. Government under contract DE-AC05-00OR22725. Accordingly, the U. S. Government retains a nonexclusive, royalty-free license to publish or reproduce the published form of this contribution, or allow others to do so, for U. S. Government purposes. NR 31 TC 0 Z9 0 U1 1 U2 8 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 1080-7039 EI 1549-7860 J9 HUM ECOL RISK ASSESS JI Hum. Ecol. Risk Assess. PY 2008 VL 14 IS 5 BP 871 EP 897 DI 10.1080/10807030802387481 PG 27 WC Biodiversity Conservation; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 378QC UT WOS:000261338000003 ER PT J AU Jones, DS Efroymson, RA Hargrove, WW Suter, GW Pater, LL AF Jones, Daniel S. Efroymson, Rebecca A. Hargrove, William W. Suter, Glenn W., II Pater, Larry L. TI The Apache Longbow-Hellfire Missile Test at Yuma Proving Ground: Ecological Risk Assessment for Missile Firing SO HUMAN AND ECOLOGICAL RISK ASSESSMENT LA English DT Article DE ecological risk assessment; impulsive sound; blast noise; missile; mule deer; Sonoran desert; military ID MILITARY AB A multiple stressor risk assessment was conducted at Yuma Proving Ground, Arizona, as a demonstration of the Military Ecological Risk Assessment Framework. The focus was a testing program at Cibola Range, which involved an Apache Longbow helicopter firing Hellfire missiles at moving targets, that is, M60-A1 tanks. This article describes the ecological risk assessment for the missile launch and detonation. The primary stressor associated with this activity was sound. Other minor stressors included the detonation impact, shrapnel, and fire. Exposure to desert mule deer (Odocoileus hemionus crooki) was quantified using the Army sound contour program BNOISE2, as well as distances from the explosion to deer. Few effects data were available from related studies. Exposure-response models for the characterization of effects consisted of human "disturbance" and hearing damage thresholds in units of C-weighted decibels (sound exposure level) and a distance-based No-Observed-Adverse-Effects Level for moose and cannonfire. The risk characterization used a weight-of-evidence approach and concluded that risk to mule deer behavior from the missile firing was likely for a negligible number of deer, but that no risk to mule deer abundance and reproduction is expected. C1 [Jones, Daniel S.; Efroymson, Rebecca A.; Hargrove, William W.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Suter, Glenn W., II] US EPA, Natl Ctr Environm Assessment, Cincinnati, OH 45268 USA. [Pater, Larry L.] USA, Construct Engn Res Lab, Engn Res & Dev Ctr, Champaign, IL 61824 USA. RP Efroymson, RA (reprint author), Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. EM efroymsonra@ornl.gov OI Efroymson, Rebecca/0000-0002-3190-880X FU U. S. Department of Defense Strategic Environmental Research and Development Program (SERDP) [CS-1054]; A Risk Assessment Framework for Natural Resources on Military Training and Testing Lands; Oak Ridge National Laboratory (ORNL); UT-Battelle; LLC; U. S. Department of Energy [DE-AC05-00OR22725] FX This research was funded by a contract from the U. S. Department of Defense Strategic Environmental Research and Development Program (SERDP) project CS-1054, A Risk Assessment Framework for Natural Resources on Military Training and Testing Lands, to Oak Ridge National Laboratory (ORNL), which is managed by UT-Battelle, LLC, for the U. S. Department of Energy under contract DE-AC05-00OR22725. We thank Bob Holst and John Hall for serving as project sponsors and Winifred Hodge Rose and Keturah Reinbold of the U. S. Army Corps of Engineers Construction Engineering Research Laboratory (CERL) for serving as Co-Principal Investigators. We also acknowledge the contributors of data, guidance, manuals, programming advice, text reviews, activity descriptions, and other assistance: Valerie Morrill, Chuck Botdorf, and Junior Kerns from YPG Environmental Sciences Division; Sergio Obregon, David McIntyre, and Bruce Goff from Jason & Associates, YPG Office; Rick Douglas and Bert Evans from YPG Aviation and Airdrop Systems; Dick Gebhart and Kim Majerus from CERL; Todd Kuiken, Paul Hanson, and Robert Washington-Allen from ORNL; and Catherine Stewart from the U. S. Army Center for Health Promotion and Preventive Medicine. NR 17 TC 0 Z9 0 U1 0 U2 7 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 530 WALNUT STREET, STE 850, PHILADELPHIA, PA 19106 USA SN 1080-7039 EI 1549-7860 J9 HUM ECOL RISK ASSESS JI Hum. Ecol. Risk Assess. PY 2008 VL 14 IS 5 BP 898 EP 918 DI 10.1080/10807030802387507 PG 21 WC Biodiversity Conservation; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 378QC UT WOS:000261338000004 ER PT J AU Peterson, MJ Hargrove, WW Efroymson, RA AF Peterson, Mark J. Hargrove, William W. Efroymson, Rebecca A. TI The Apache Longbow-Hellfire Missile Test at Yuma Proving Ground: Ecological Risk Assessment for Tracked Vehicle Movement across Desert Pavement SO HUMAN AND ECOLOGICAL RISK ASSESSMENT LA English DT Article DE ecological risk assessment; tracked vehicle; desert wash; desert pavement; surface varnish; vegetation; water loss; soil disturbance ID ALTITUDE AIRCRAFT OVERFLIGHTS; MOJAVE DESERT; SONORAN DESERT; ASSESSMENT FRAMEWORK; SOIL; VEGETATION; PLANT; DISTURBANCE; CALIFORNIA; LANDSCAPE AB A multiple stressor risk assessment was conducted at Yuma Proving Ground, Arizona, as a demonstration of the Military Ecological Risk Assessment Framework (MERAF). The focus was a testing program at Cibola Range that involved an Apache Longbow helicopter firing Hellfire missiles at moving targets, that is, M60-A1 tanks. This article describes the ecological risk assessment, using the MERAF, for the tracked vehicle movement component of the testing program. The principal stressor associated with tracked vehicle movement was soil disturbance, and a resulting, secondary stressor was hydrological change. Water loss to desert wash vegetation was hypothesized to result from increased infiltration and/or evaporation associated with vehicle disturbances to surrounding desert pavement, potentially affecting mule deer as well as vegetation. The simulated exposure of wash vegetation to water loss was quantified using estimates of disturbed land area from a digital orthogonal quarter quadrangle aerial photo and field observations, a 30-m digital elevation model, the flow accumulation feature of ESRI ArcInfo GIS, and a two-step runoff process dependent on soil characteristics and the extent of disturbance. In all simulated scenarios, the absolute amount of water lost increased with distance from the disturbance downslope in the washes; however, the percentage of water lost was greatest in land areas immediately downslope of a disturbance. Potential effects on growth and survival of desert wash trees were quantified by comparing water availability from the hydrologic model to water volume thresholds required for wash trees to survive and persist, derived from a local study. For both the incremental risk of the test program and for the combination of test and pretest disturbances, this demonstration of MERAF found no significant risk to either wash vegetation growth and survival or mule deer abundance and reproduction. C1 [Peterson, Mark J.; Hargrove, William W.; Efroymson, Rebecca A.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Peterson, MJ (reprint author), Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. EM petersonmj@ornl.gov OI Efroymson, Rebecca/0000-0002-3190-880X FU U. S. Department of Defense Strategic Environmental Research and Development Program (SERDP) [CS-1054]; A Risk Assessment Framework for Natural Resources on Military Training and Testing Lands; U. S. Department of Energy [DE-AC05-00OR22725] FX This research was funded by a contract from the U. S. Department of Defense Strategic Environmental Research and Development Program (SERDP) project CS-1054, A Risk Assessment Framework for Natural Resources on Military Training and Testing Lands, to Oak Ridge National Laboratory, which is managed by UT-Battelle, LLC, for the U. S. Department of Energy under contract DE-AC05-00OR22725. We thank Bob Holst and John Hall for serving as project sponsors. We also acknowledge the contributions of the following people for data, guidance, manuals, programming advice, text reviews, activity descriptions, and other assistance: Valerie Morrill, Chuck Botdorf, and Junior Kerns from the Yuma Proving Ground Environmental Sciences Division; Sergio Obregon, David McIntyre, and Bruce Goff from Jason & Associates, Yuma Proving Ground Office; Rick Douglas and Bert Evans from Yuma Proving Ground Aviation and Airdrop Systems; Dick Gebhart and Kim Majerus from the U. S. Army Corps of Engineers Construction Engineering Research Laboratory; and Todd Kuiken, Robert Washington-Allen, and S. Marshall Adams from Oak Ridge National Laboratory. Lastly, we acknowledge and thank the many people who conducted and reported field study results at YPG, without which we would not have been able to conduct this risk assessment. NR 49 TC 0 Z9 0 U1 0 U2 7 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 1080-7039 J9 HUM ECOL RISK ASSESS JI Hum. Ecol. Risk Assess. PY 2008 VL 14 IS 5 BP 919 EP 946 DI 10.1080/10807030802387531 PG 28 WC Biodiversity Conservation; Environmental Sciences SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 378QC UT WOS:000261338000005 ER PT J AU Crawford, DC Peng, Z Cheng, JF Boffelli, D Ahearn, M Nguyen, D Shaffer, T Yi, Q Livingston, RJ Rieder, MJ Nickerson, DA AF Crawford, Dana C. Peng, Ze Cheng, Jan-Fang Boffelli, Dario Ahearn, Magdalena Nguyen, Dan Shaffer, Tristan Yi, Qian Livingston, Robert J. Rieder, Mark J. Nickerson, Deborah A. TI LPA and PLG sequence variation and kringle IV-2 copy number in two populations SO HUMAN HEREDITY LA English DT Article DE African-American; apo(a); kringle; Lp(a); plasminogen; sequencing; linkage disequilibrium ID SINGLE-NUCLEOTIDE POLYMORPHISMS; CORONARY-ARTERY-DISEASE; PLASMA LIPOPROTEIN(A) CONCENTRATIONS; APOLIPOPROTEIN(A) SIZE POLYMORPHISM; LP(A) GLYCOPROTEIN PHENOTYPES; AFRICAN-AMERICANS; LINKAGE-DISEQUILIBRIUM; HUMAN GENOME; APO(A) GENE; BIOLOGICAL VARIABILITY AB Background/Aims: Lp(a) levels have long been recognized as a potential risk factor for coronary heart disease that is almost completely under genetic control. Much of the genetics impacting Lp(a) levels has been attributed to the highly polymorphic LPA kringle IV-2 copy number variant, and most of the variance in Lp(a) levels in populations of European-descent is inversely correlated with kringle IV copy number. However, less of the variance is explained in African-descent populations for the same structural variation. African-descent populations have, on average, higher levels of Lp(a), suggesting other genetic factors contribute to Lp(a) level variability across populations. Methods: To identify potential cis-acting factors, we resequenced the gene LPA for single nucleotide polymorphism (SNP) discovery in 23 European-Americans and 24 African-Americans. We also resequenced the neighboring gene plasminogen (PLG) and genotyped the kringle IV copy number variant in the same reference samples. Results: These data are the most comprehensive description of sequence variation in LPA and its relationship with the kringle IV copy number variant. With these data, we demonstrate that only a fraction of LPA sequence diversity has been previously documented. Also, we identify several high frequency SNPs present in the African-American sample but absent in the European-American sample. Finally, we show that SNPs within PLG are not in linkage disequilibrium with SNPs in LPA, and we show that kringle IV copy number variation is not in linkage disequilibrium with either LPA or PLG SNPs. Conclusions: Together, these data suggest that LPA SNPs could independently contribute to Lp(a) levels in the general population. Copyright (C) 2008 S. Karger AG, Basel. C1 [Crawford, Dana C.] Vanderbilt Univ, Dept Mol Physiol & Biophys, Ctr Human Genet Res, Nashville, TN 37232 USA. [Peng, Ze; Cheng, Jan-Fang; Boffelli, Dario] Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA USA. [Peng, Ze; Cheng, Jan-Fang; Boffelli, Dario] Lawrence Berkeley Natl Lab, Joint Genome Inst, Berkeley, CA USA. [Ahearn, Magdalena; Nguyen, Dan; Shaffer, Tristan; Yi, Qian; Livingston, Robert J.; Rieder, Mark J.; Nickerson, Deborah A.] Univ Washington, Dept Genome Sci, Seattle, WA 98195 USA. RP Crawford, DC (reprint author), Vanderbilt Univ, Dept Mol Physiol & Biophys, Ctr Human Genet Res, 515B Light Hall,2215 Garland Ave, Nashville, TN 37232 USA. EM crawford@chgr.mc.vanderbilt.edu RI Crawford, Dana/C-1054-2012 FU National Heart, Lung, and Blood Institute's Program for Genomic Applications [U01 HL66682, U01 HL66728]; National Institute of Environmental Health Science's Environmental Genome Project [N01 ES15478] FX We thank Dr. Mark Wurfel and Jeanna Strout (University of Washington) for maintaining the cell lines used in the kringle genotyping. This work was funded by grants from the National Heart, Lung, and Blood Institute's Program for Genomic Applications (U01 HL66682 and U01 HL66728) and the National Institute of Environmental Health Science's Environmental Genome Project (N01 ES15478). NR 77 TC 11 Z9 12 U1 0 U2 0 PU KARGER PI BASEL PA ALLSCHWILERSTRASSE 10, CH-4009 BASEL, SWITZERLAND SN 0001-5652 J9 HUM HERED JI Hum. Hered. PY 2008 VL 66 IS 4 BP 199 EP 209 DI 10.1159/000143403 PG 11 WC Genetics & Heredity SC Genetics & Heredity GA 345GO UT WOS:000258984500001 PM 18612205 ER PT J AU Wolfrum, EJ Peterson, D Kozubal, E AF Wolfrum, Edward J. Peterson, Darren Kozubal, Eric TI The volatile organic compound (VOC) removal performance of desiccant-based dehumidification systems: Testing at sub-ppm VOC concentrations SO HVAC&R RESEARCH LA English DT Article ID DESORPTION CHARACTERISTICS; POLLUTANTS; ADSORPTION; OZONE; AIR AB We investigated the ability of a typical desiccant wheel to remove two common volatile organic compounds (VOCs), toluene and n-hexane, from an airstream at concentrations in the range 50-150 ppb. The effects of wheel speed, regeneration temperature, relative humidity, and VOC challenge concentration were examined. The desiccant wheel was able to transfer similar to 70% of the toluene and similar to 20% of the n-hexane from the process inlet stream to the regeneration outlet stream for the default process parameter settings. These removal efficiencies varied only slightly over the range of process parameters studied. C1 [Wolfrum, Edward J.; Peterson, Darren; Kozubal, Eric] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Wolfrum, EJ (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. OI Wolfrum, Edward/0000-0002-7361-8931 NR 19 TC 6 Z9 6 U1 1 U2 5 PU AMER SOC HEATING REFRIGERATING AIR-CONDITIONING ENG, INC, PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA SN 1078-9669 J9 HVAC&R RES JI HVAC&R Res. PD JAN PY 2008 VL 14 IS 1 BP 129 EP 140 DI 10.1080/10789669.2008.10390998 PG 12 WC Thermodynamics; Construction & Building Technology; Engineering, Mechanical SC Thermodynamics; Construction & Building Technology; Engineering GA 251EH UT WOS:000252353600009 ER PT B AU Geballe, TB Clayton, GC Asplund, M Herwig, F Fryer, CL AF Geballe, T. B. Clayton, G. C. Asplund, M. Herwig, F. Fryer, C. L. BE Werner, K Rauch, T TI O-18 and the origins of HdC and R CrB stars SO HYDROGEN-DEFICIENT STARS SE Astronomical Society of the Pacific Conference Series LA English DT Proceedings Paper CT 3rd International Workshop on Hydrogen-Deficient Stars CY SEP 17-21, 2007 CL Tubingen, GERMANY ID CORONAE-BOREALIS STARS; WHITE-DWARFS AB We have detected enormously enhanced O-18 and correspondingly small values of O-16/O-18 in many hydrogen-deficient carbon (HdC) stars and R Coronae Borealis (R CrB) stars. The similar ratios suggest a common origin for the two types of stars. Of the two leading candidates for the origin of R. CrB stars, white dwarf mergers and final helium flashes., the former appears more likely to produce this and other observed isotopic anomalies. C1 [Geballe, T. B.] Gemini Observ, 670 N Aohoku Pl, Hilo, HI 96720 USA. [Clayton, G. C.] Louisiana State Univ, Dept Phys & Astron, Baton Rouge, LA 70803 USA. [Asplund, M.] Anglo Australian Observ, Sydney, NSW, Australia. [Herwig, F.; Fryer, C. L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Geballe, TB (reprint author), Gemini Observ, 670 N Aohoku Pl, Hilo, HI 96720 USA. NR 5 TC 0 Z9 0 U1 0 U2 0 PU ASTRONOMICAL SOC PACIFIC PI SAN FRANCISCO PA 390 ASHTON AVE, SAN FRANCISCO, CA 94112 USA BN 978-1-58381-652-3 J9 ASTR SOC P PY 2008 VL 391 BP 51 EP + PG 2 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BIB01 UT WOS:000258025600010 ER PT B AU Diehl, S Fryer, CL Herwig, F AF Diehl, Steven Fryer, Chris L. Herwig, Falk BE Werner, K Rauch, T TI The formation of hydrogen deficient stars through common envelope evolution SO HYDROGEN-DEFICIENT STARS SE Astronomical Society of the Pacific Conference Series LA English DT Proceedings Paper CT 3rd International Workshop on Hydrogen-Deficient Stars CY SEP 17-21, 2007 CL Tubingen, GERMANY AB We present preliminary results from Smooth particle Hydrodynamics (SPH) simulations of common envelope evolution. We qualitatively compare the interaction between a 0.9 M-circle dot red giant with two different companion masses: a 0.05 M-circle dot brown dwarf and a 0.25 M-circle dot white dwarf companion. C1 [Diehl, Steven; Fryer, Chris L.] Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. [Herwig, Falk] Keele Univ, Sch Phys & Geog Sci, Astrophys Grp, Keele, Staffs, England. RP Diehl, S (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. NR 9 TC 3 Z9 3 U1 0 U2 0 PU ASTRONOMICAL SOC PACIFIC PI SAN FRANCISCO PA 390 ASHTON AVE, SAN FRANCISCO, CA 94112 USA BN 978-1-58381-652-3 J9 ASTR SOC P PY 2008 VL 391 BP 221 EP + PG 2 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BIB01 UT WOS:000258025600038 ER PT B AU Onifer, A Heger, A Abdallah, J AF Onifer, Andrew Heger, Alexander Abdallah, Joseph BE Werner, K Rauch, T TI The metallicity dependence of Wolf-Rayet, mass loss SO HYDROGEN-DEFICIENT STARS SE ASTRONOMICAL SOCIETY OF THE PACIFIC CONFERENCE SERIES LA English DT Proceedings Paper CT 3rd International Workshop on Hydrogen-Deficient Stars CY SEP 17-21, 2007 CL Tubingen, GERMANY ID MODEL ATMOSPHERES; STARS; STELLAR; WINDS AB We produce models of early WN, WC, and WO stars as a function of metallicity Z using an analytic CAK-type approach. At, log Z/Z(circle dot) >= -2 both WN and WC stars have the approximate dependence (M) over dot proportional to Z(0.5). For a WN wind the mass-loss rate drops rapidly below log Z/Z(circle dot) = -2, and no wind solution can be found for log Z/Z(circle dot) < -3. For WC and WO winds the mass-loss rate plummets in the range -3 <= log Z/Z(circle dot) <= -2 and tends to flatten due to the self-enrichment of C and O to around 10(-8) M-circle dot yr(-1) for log Z/Z(circle dot) <= -4. No significant difference in (M) over dot was found for WC versus WO stars at low metallicity. C1 [Onifer, Andrew; Heger, Alexander; Abdallah, Joseph] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Onifer, A (reprint author), Los Alamos Natl Lab, POB 1663,MS T087, Los Alamos, NM 87544 USA. NR 9 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 978-1-58381-652-3 J9 ASTR SOC P PY 2008 VL 391 BP 305 EP 306 PG 2 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BIB01 UT WOS:000258025600055 ER PT B AU Fryer, CL Diehl, S AF Fryer, Chris L. Diehl, Steven BE Werner, K Rauch, T TI On the road to understanding type Ia progenitors: Precision simulations of double degenerate mergers SO HYDROGEN-DEFICIENT STARS SE ASTRONOMICAL SOCIETY OF THE PACIFIC CONFERENCE SERIES LA English DT Proceedings Paper CT 3rd International Workshop on Hydrogen-Deficient Stars CY SEP 17-21, 2007 CL Tubingen, GERMANY ID DYNAMICAL MASS-TRANSFER; MERGING WHITE-DWARFS; GAMMA-RAY BURSTS; BINARIES; STARS; COALESCENCE; SUPERNOVAE; EVOLUTION; CARBON AB We review the current state of the art in double degenerate merger simulations to better understand the role this phenomenon plays in type la progenitors. Because the fate of a merged system may well. depend on the exact evolution of the matter temperature (as well as mixing of the merged system), precision simulations are required to determine the true late of these systems. Unfortunately, if we compare the results of current simulations, we find many-order of magnitude differences in quantities like mass-transfer rates in the merger process. We discuss these differences and outline an approach rising verification and validation that should allow Lis to achieve a level of precision sufficient to determine the true fate (thermonuclear vs. collapse) of double degenerate mergers. Understanding the fate of lower-mass systems (e.g. R Coronae Borealis stars) may be key in our final testing phase. C1 [Fryer, Chris L.; Diehl, Steven] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Fryer, CL (reprint author), Los Alamos Natl Lab, CCS-2,MS D409, Los Alamos, NM 87545 USA. NR 15 TC 9 Z9 9 U1 0 U2 0 PU ASTRONOMICAL SOC PACIFIC PI SAN FRANCISCO PA 390 ASHTON AVE, SAN FRANCISCO, CA 94112 USA BN 978-1-58381-652-3 J9 ASTR SOC P PY 2008 VL 391 BP 335 EP 345 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA BIB01 UT WOS:000258025600059 ER PT S AU Hocevar, S Summers, W AF Hocevar, Stanko Summers, William BE Leon, A TI Hydrogen Production SO HYDROGEN TECHNOLOGY: MOBILE AND PORTABLE APPLICATIONS SE Green Energy and Technology LA English DT Article; Book Chapter ID SOLAR-CELL; FUEL-CELL; TECHNOLOGY; VEHICLES C1 [Hocevar, Stanko] Natl Inst Chem, Lab Catalysis & Chem React Engn, SI-1000 Ljubljana, Slovenia. [Summers, William] Savannah River Natl Lab, Dept Energy, Aiken, SC 29808 USA. RP Hocevar, S (reprint author), Natl Inst Chem, Lab Catalysis & Chem React Engn, SI-1000 Ljubljana, Slovenia. EM stanko.hocevar@ki.si; william.summers@srnl.doe.gov NR 42 TC 16 Z9 16 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013, UNITED STATES SN 1865-3529 BN 978-3-540-79027-3 J9 GREEN ENERGY TECHNOL PY 2008 BP 15 EP 79 DI 10.1007/978-3-540-69925-5_2 PG 65 WC Energy & Fuels; Environmental Sciences; Environmental Studies; Transportation Science & Technology SC Energy & Fuels; Environmental Sciences & Ecology; Transportation GA BJV89 UT WOS:000267285700003 ER PT J AU Hanrahan, TP AF Hanrahan, Timothy P. TI Effects of river discharge on hyporheic exchange flows in salmon spawning areas of a large gravel-bed river SO HYDROLOGICAL PROCESSES LA English DT Article DE hyporheic exchange; gravel-bed rivers; temperature ID SUBSURFACE WATER EXCHANGE; FALL CHINOOK SALMON; STREAMBED TOPOGRAPHY; CONVECTIVE-TRANSPORT; TEMPERATURE DYNAMICS; SURFACE-TEMPERATURE; NONSORBING SOLUTES; MOUNTAIN STREAMS; ATLANTIC SALMON; GROUNDWATER AB The flow magnitude and timing from hydroelectric dams in the Snake River Basin of the Pacific north-western US is managed in part for the benefit of salmon. The objective of this research was to evaluate the effects of Hells Canyon Dam discharge operations on hydrologic exchange flows between the river and riverbed in Snake River fall Chinook salmon spawning areas. Interactions between river water and pore water within the upper 1 m of the riverbed were quantified through the use of self-contained temperature and water level data loggers suspended inside of piezometers. The data were recorded at 20 min intervals over a period of 200 days when the mean daily discharge was 218-605 m(3) s(-1), with hourly stage changes as large as 1.9 m. Differences in head pressure between the river and rivet-bed were small, often within +/- 2 cm. Measured temperature gradients in the riverbed indicated significant interactions between the surface and subsurface water. At the majority of sites, neither hydraulic not, temperature gradients were significantly affected by either short- or long-term changes in discharge operations from Hells Canyon Dam. Only 2 of 14 study sites exhibited acute flux reversals between the river and riverbed resulting from short-term, large magnitude changes in discharge. The findings suggest that local scale measurements may not be wholly explanatory of the hydrological exchange between the river and riverbed. The processes controlling surface water exchange at the Study sites are likely to be bedform-induced advective pumping, turbulence at the riverbed surface, and large-scale hydraulic gradients along the longitudinal profile of the riverbed. By incorporating the knowledge of hydrological exchange processes into water management planning, regional agencies will be better prepared to manage the limited water resources among competing priorities that include salmon recovery, flood control, irrigation supply, hydropower production, and recreation. Copyright (C) 2007 John Wiley & Sons, Ltd. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Hanrahan, TP (reprint author), Pacific NW Natl Lab, POB 999,MS K6-85, Richland, WA 99352 USA. EM tim.hanrahan@pnl.gov NR 71 TC 17 Z9 18 U1 2 U2 18 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0885-6087 J9 HYDROL PROCESS JI Hydrol. Process. PD JAN 1 PY 2008 VL 22 IS 1 BP 127 EP 141 DI 10.1002/hyp.6605 PG 15 WC Water Resources SC Water Resources GA 253VD UT WOS:000252544800011 ER PT J AU Commer, M Newman, GA Caraone, JJ Dickens, TA Green, KE Wahrmund, LA Willen, DE Shiu, J AF Commer, M. Newman, G. A. Caraone, J. J. Dickens, T. A. Green, K. E. Wahrmund, L. A. Willen, D. E. Shiu, J. TI Massively parallel electrical-conductivity imaging of hydrocarbons using the IBM Blue Gene/L supercomputer SO IBM JOURNAL OF RESEARCH AND DEVELOPMENT LA English DT Article ID EXPLORATION AB Large-scale controlled-source electromagnetic (CSEM) three-dimensional (3D) geophysical imaging is now receiving considerable attention for electrical-conductivity mapping of potential offshore oil and gas reservoirs. To cope with the typically large computational requirements of the 3D CSEM imaging problem, our strategies exploit computational parallelism and optimized finite-difference meshing. We report on an imaging experiment utilizing 32,768 tasks (and processors) on the IBM Blue Gene/L (TM) (BG/L) supercomputer at the IBM T. J. Watson Research Center. Over a 24-hour period, we were able to image a large-scale marine CSEM field dataset that previously required more than 4 months of computing time on distributed clusters utilizing 1,024 tasks on an InfiniBand((R)) fabric. The total initial data-fitting errors (i.e., "misfits") could be decreased by 67% within 72 completed inversion iterations, indicating the existence Of an electrically resistive region in the southern survey area below a depth of 1,500 m underneath the seafloor. The major part of the residual misfit stems from transmitter-parallel receiver components that have an offset from the transmitter sail line (broadside configuration). Modeling confirms that improved broadside data fits can be achieved by considering anisotropic electrical conductivities. While delivering a satisfactory gross-scale image for the depths of interest, the experiment provides important evidence,for the necessity of discriminating between horizontal and vertical conductivities for maximally consistent 3D CSEM inversions. C1 [Commer, M.; Newman, G. A.] Lawrence Berkeley Natl Labs, Berkeley, CA 94720 USA. [Caraone, J. J.; Dickens, T. A.; Green, K. E.; Wahrmund, L. A.; Willen, D. E.] ExxonMobil Upstream Res Co, Houston, TX 77252 USA. [Shiu, J.] IBM Deep Comp Grp, Houston, TX 77056 USA. RP Commer, M (reprint author), Lawrence Berkeley Natl Labs, Berkeley, CA 94720 USA. EM MCommer@lbl.gor; ganewman@lbl.gov; jim.j.carazzone@exxonmobil.com; tom.a.dickens@exxonmobil.com; ken.e.green@exxonmobil.com; leslie.a.wahrmund@exxonmobil.com; denny.e.willen@exxonmobil.com; jshiu@us.ibm.com RI Commer, Michael/G-3350-2015 OI Commer, Michael/0000-0003-0015-9217 NR 15 TC 15 Z9 15 U1 0 U2 5 PU IBM CORP PI ARMONK PA 1 NEW ORCHARD ROAD, ARMONK, NY 10504 USA SN 0018-8646 J9 IBM J RES DEV JI IBM J. Res. Dev. PD JAN-MAR PY 2008 VL 52 IS 1-2 BP 93 EP 103 PG 11 WC Computer Science, Hardware & Architecture; Multidisciplinary Sciences SC Computer Science; Science & Technology - Other Topics GA 260MP UT WOS:000253014700010 ER PT J AU Ethier, S Tang, WM Walkup, R Oliker, L AF Ethier, S. Tang, W. M. Walkup, R. Oliker, L. TI Large-scale gyrokinetic particle simulation of microturbulence in magnetically confined fusion plasmas SO IBM JOURNAL OF RESEARCH AND DEVELOPMENT LA English DT Article ID GRADIENT-DRIVEN TURBULENCE; FINITE-SIZE PARTICLES; TOKAMAK TURBULENCE; ZONAL FLOWS; TRANSPORT; EQUATIONS; ELECTRONS; WAVES AB As the global energy economy makes the transition from fossil fuels toward cleaner alternatives, nuclear fusion becomes an attractive potential solution for satisfying growing needs. Fusion, the power source of the stars, has been the focus of active research since the early 1950s. While progress has been impressive-especially for magnetically confined plasma devices called tokamaks-the design of a practical power plant remains an outstanding challenge. A key topic of current interest is micro turbulence, which is believed to be responsible for the unacceptably large leakage of energy and particles out of the hot plasma core. Understanding and controlling this process is of utmost importance for operating current devices and designing future ones. In addressing such issues, the Gyrokinetic Toroidal Code (GTC) was developed to study the global influence of micro turbulence on particle and energy confinement. It has been optimized on the IBM Blue Gene/L (TM) (BG/L) computer, achieving essentially linear scaling on more than 30,000 processors. A full simulation of unprecedented phase-space resolution was carried out with 32,768 processors on the BGIL supercomputer located at the IBM T. J. Watson Research Center, providing new insights on the influence of collisions on microturbulence. C1 [Ethier, S.; Tang, W. M.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Walkup, R.] IBM Corp, Div Res, Thomas J Watson Res Ctr, Yorktown Hts, NY 10598 USA. [Oliker, L.] LBNL, Berkeley, CA 94720 USA. RP Ethier, S (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM ethier@pppl.gov; tang@pppl.gov; walkup@us.ibm.com; oliker@lbl.gov NR 34 TC 13 Z9 14 U1 1 U2 2 PU IBM CORP PI ARMONK PA 1 NEW ORCHARD ROAD, ARMONK, NY 10504 USA SN 0018-8646 J9 IBM J RES DEV JI IBM J. Res. Dev. PD JAN-MAR PY 2008 VL 52 IS 1-2 BP 105 EP 115 PG 11 WC Computer Science, Hardware & Architecture; Multidisciplinary Sciences SC Computer Science; Science & Technology - Other Topics GA 260MP UT WOS:000253014700011 ER PT J AU Fisher, RT Kadanoff, LP Lamb, DQ Dubey, A Plewa, T Calder, A Cattaneo, F Constantin, P Foster, I Papka, ME Abarzhi, SI Asida, SM Rich, PM Glendening, CC Antypas, K Sheeler, DJ Reid, LB Gallagher, B Needham, SG AF Fisher, R. T. Kadanoff, L. P. Lamb, D. Q. Dubey, A. Plewa, T. Calder, A. Cattaneo, F. Constantin, P. Foster, I. Papka, M. E. Abarzhi, S. I. Asida, S. M. Rich, P. M. Glendening, C. C. Antypas, K. Sheeler, D. J. Reid, L. B. Gallagher, B. Needham, S. G. TI Terascale turbulence computation using the FLASH3 application framework on the IBM Blue Gene/L system SO IBM JOURNAL OF RESEARCH AND DEVELOPMENT LA English DT Article ID DIRECT NUMERICAL SIMULATIONS; ADAPTIVE MESH REFINEMENT; HYDRODYNAMICS AB Understanding the nature of turbulent flows remains one of the outstanding questions in classical physics. Significant progress has been recently made using computer simulation as an aid to our understanding of the rich physics qf turbulence. Here, we present both the computer science and the scientfic features of a unique terascale simulation of a weakly compressible turbulent flow that includes tracer particles. (Terascale refers to performance and dataset storage use in excess of a teraflop and terabyte, respectively.) The simulation was performed on the Lawrence Livermore National Laboratory IBM Blue Gene/L (TM) system, using version 3 of the FLASH application framework. FLASH3 is a modular, publicly available code designed primarily for astrophysical simulations, which scales well to massively parallel environments. We discuss issues related to the analysis and visualization of such a massive simulation and present initial scientific results. We also discuss challenges related to making the database available for public release. We suggest that widespread adoption of an open dataset model of high-performance computing is likely to result in signficant advantages for the scientific computing community, in much the same way that the widespread adoption of open-source software has produced similar gains over the last 10 years. C1 [Fisher, R. T.; Lamb, D. Q.; Dubey, A.; Plewa, T.; Calder, A.; Cattaneo, F.; Papka, M. E.; Abarzhi, S. I.; Asida, S. M.; Rich, P. M.; Glendening, C. C.; Antypas, K.; Sheeler, D. J.; Reid, L. B.; Gallagher, B.; Needham, S. G.] Univ Chicago, DOE ASC Ctr Astrophys Thermonucl Flashes, Chicago, IL 60637 USA. [Fisher, R. T.; Lamb, D. Q.; Dubey, A.; Plewa, T.; Calder, A.; Cattaneo, F.; Papka, M. E.; Abarzhi, S. I.; Asida, S. M.; Rich, P. M.; Glendening, C. C.; Antypas, K.; Sheeler, D. J.; Reid, L. B.; Gallagher, B.; Needham, S. G.] Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. [Kadanoff, L. P.] Univ Chicago, Dept Phys, Chicago, IL 60637 USA. [Kadanoff, L. P.; Constantin, P.] Univ Chicago, Dept Math, Chicago, IL 60637 USA. [Foster, I.] Univ Chicago, Dept Comp Sci, Chicago, IL 60637 USA. RP Fisher, RT (reprint author), Univ Chicago, DOE ASC Ctr Astrophys Thermonucl Flashes, Chicago, IL 60637 USA. EM rtfisher@uchicago.edu; leop@uchicago.edu; lamb@oddjob.uchicago.edu; dubey@flash.uchicago.edu; tomek@uchicago.edu; acalder@mail.astro.sunysb.edu; cattaneo@flash.uchicago.edu; const@cs.uchicago.edu; foster@mcs.anl.gov; papka@flash.uchicago.edu; snezha@flash.uchicago.edu; sasida@phys.huji.ac.il; richp@flash.uchicago.edu; chad@uchicago.edu; kantypas@lbl.dot.gov; sheeler@flash.uchicago.edu; lynnreid@flash.uchicago.edu; jbgallag@flash.uchicago.edu; shown@flash.uchicago.edu RI Reid, Lynn/A-7364-2011; Plewa, Tomasz/C-1470-2010; Calder, Alan/E-5348-2011; Fisher, Robert/J-8667-2014 OI Plewa, Tomasz/0000-0002-1762-2565; Fisher, Robert/0000-0001-8077-7255 NR 14 TC 27 Z9 27 U1 0 U2 3 PU IBM CORP PI ARMONK PA 1 NEW ORCHARD ROAD, ARMONK, NY 10504 USA SN 0018-8646 J9 IBM J RES DEV JI IBM J. Res. Dev. PD JAN-MAR PY 2008 VL 52 IS 1-2 BP 127 EP 136 PG 10 WC Computer Science, Hardware & Architecture; Multidisciplinary Sciences SC Computer Science; Science & Technology - Other Topics GA 260MP UT WOS:000253014700013 ER PT J AU Vranas, P Blumrich, MA Chen, D Gara, A Giampapa, ME Heidelberger, P Salapura, V Sexton, JC Soltz, R Bhanot, G AF Vranas, P. Blumrich, M. A. Chen, D. Gara, A. Giampapa, M. E. Heidelberger, P. Salapura, V. Sexton, J. C. Soltz, R. Bhanot, G. TI Massively parallel quantum chromodynamics SO IBM JOURNAL OF RESEARCH AND DEVELOPMENT LA English DT Article AB Quantum chromodynamics (QCD), the theory of the strong nuclear force, can be numerically simulated on massively parallel supercomputers using the method of lattice gauge theory. We describe the special programming requirements of lattice QCD (LQCD) as well as the optimal supercomputer hardware architectures for which LQCD suggests a need. We demonstrate these methods on the IBM Blue Gene/L (TM) (BG/L) massively parallel supercomputer and argue that the BG/L architecture is very well suited for LQCD studies. This suitability arises from the fact that LQCD is a regular lattice discretization of space into lattice sites, while the BG/L supercomputer is a discretization of space into compute nodes. Both LQCD and the BG/L architecture are constrained by the requirement of short-distance exchanges. This simple relation is technologically important and theoretically intriguing. We demonstrate a computational speedup of LQCD using up to 131,072 CPUs on the largest BG/L supercomputer available in 2007. As the number of CPUs is increased, the speedup increases linearly with sustained performance of about 20% of the maximum possible hardware speed. This corresponds to a maximum of 70.5 sustained teraflops. At these speeds, LQCD and the BG/L supercomputer are able to produce theoretical results for the next generation of strong-interaction physics. C1 [Vranas, P.; Soltz, R.] Lawrence Livermore Natl Lab, Phys & Adv Technol Directorate, Livermore, CA 94550 USA. [Blumrich, M. A.; Chen, D.; Gara, A.; Giampapa, M. E.; Heidelberger, P.; Salapura, V.; Sexton, J. C.] IBM Corp, Div Res, Thomas J Watson Res Ctr, Yorktown Hts, NY 10598 USA. [Bhanot, G.] Rutgers State Univ, Dept Biomed Engn, Piscataway, NJ 08855 USA. RP Vranas, P (reprint author), Lawrence Livermore Natl Lab, Phys & Adv Technol Directorate, 7000 E Ave, Livermore, CA 94550 USA. EM vranas1@llnl.gov; blumrich@us.ibm.com; chendong@us.ibm.com; alangara@us.ibm.com; giampapa@us.ibm.com; philiph@us.ibm.com; salapura@us.ibm.com; sextonjc@us.ibm.com; soltz@llnl.gov; gyanbhanot@gmail.com NR 15 TC 2 Z9 2 U1 0 U2 1 PU IBM CORP PI ARMONK PA 1 NEW ORCHARD ROAD, ARMONK, NY 10504 USA SN 0018-8646 J9 IBM J RES DEV JI IBM J. Res. Dev. PD JAN-MAR PY 2008 VL 52 IS 1-2 BP 189 EP 197 PG 9 WC Computer Science, Hardware & Architecture; Multidisciplinary Sciences SC Computer Science; Science & Technology - Other Topics GA 260MP UT WOS:000253014700018 ER PT S AU Kolda, TG Sun, JM AF Kolda, Tamara G. Sun, Jimeng BA Giannotti, F BF Giannotti, F BE Gunopulos, D Turini, F Zaniolo, C Ramakrishnan, N Wu, XD TI Scalable Tensor Decompositions for Multi-aspect Data Mining SO ICDM 2008: EIGHTH IEEE INTERNATIONAL CONFERENCE ON DATA MINING, PROCEEDINGS SE IEEE International Conference on Data Mining LA English DT Proceedings Paper CT 8th IEEE International Conference on Data Mining CY DEC 15-19, 2008 CL Pisa, ITALY SP IEEE, Yahoo Res, WIND, Microsoft, Ask com, IBM, Natl Sci Fdn, coop, BASE, Univ Pisa, Brite, Comune Pisa, Prov Pisa, Prov Lucca, Inst Sci & Tecnol Informazione, Consiglio Nazl Ric, GeoPKDD, Camera Commercia Pisa ID ALGORITHMS AB Modern applications such as Internet traffic, telecommunication records, and large-scale social networks generate massive amounts of data with multiple aspects and high dimensionalities. Tensors (i.e., multi-way arrays) provide a natural representation for such data. Consequently, tensor decompositions such as Tucker become important tools for summarization and analysis. One major challenge is how to deal with high-dimensional, sparse data. In other words, how do we compute decompositions of tensors where most of the entries of the tensor are zero. Specialized techniques are needed for computing the Tucker decompositions for sparse tensors because standard algorithms do not account for the sparsity of the data. As a result, a surprising phenomenon is observed by practitioners: Despite the fact that them is enough memory to store both the input tensors and the factorized output tensors, memory overflows occur during the tensor factorization process. To address this intermediate blowup problem, we propose Memory-Efficient Tucker (MET). Based on the available memory, MET adaptively selects the right execution strategy during the decomposition, We provide quantitative and qualitative evaluation of MET on real tensors. It achieves over 1000X space reduction without sacrificing speed; it also allows us to work with much larger tensors that were too big to handle before. Finally, we demonstrate a. data mining case-study using MET. C1 [Kolda, Tamara G.] Sandia Natl Labs, Livermore, CA 94550 USA. [Sun, Jimeng] IBM Corp, TJ Watson Res Ctr, Armonk, NY 10504 USA. RP Kolda, TG (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM tgkolda@sandia.gov; jimeng@us.ibm.com RI Kolda, Tamara/B-1628-2009 OI Kolda, Tamara/0000-0003-4176-2493 NR 23 TC 58 Z9 58 U1 0 U2 5 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA SN 1550-4786 BN 978-0-7695-3502-9 J9 IEEE DATA MINING PY 2008 BP 363 EP + DI 10.1109/ICDM.2008.89 PG 2 WC Computer Science, Artificial Intelligence; Computer Science, Information Systems; Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BJA60 UT WOS:000264173600037 ER PT S AU Oliner, AJ Aiken, A Stearley, J AF Oliner, Adam J. Aiken, Alex Stearley, Jon BA Giannotti, F BF Giannotti, F BE Gunopulos, D Turini, F Zaniolo, C Ramakrishnan, N Wu, XD TI Alert Detection in System Logs SO ICDM 2008: EIGHTH IEEE INTERNATIONAL CONFERENCE ON DATA MINING, PROCEEDINGS SE IEEE International Conference on Data Mining LA English DT Proceedings Paper CT 8th IEEE International Conference on Data Mining CY DEC 15-19, 2008 CL Pisa, ITALY SP IEEE, Yahoo Res, WIND, Microsoft, Ask com, IBM, Natl Sci Fdn, coop, BASE, Univ Pisa, Brite, Comune Pisa, Prov Pisa, Prov Lucca, Inst Sci & Tecnol Informazione, Consiglio Nazl Ric, GeoPKDD, Camera Commercia Pisa AB We present Nodeinfo, an unsupervised algorithm for anomaly detection in system logs. We demonstrate Nodeinfo's effectiveness on data from four of the world's most powerful supercomputers: using logs representing oiler 746 million processor-hours, in which anomalous events called alerts were manually tagged for scoring, we aim to automatically identify the regions of the log containing those alerts. We formalize the alert detection task in these terms, describe how Nodeinfo uses the information entropy of message terms to identify alerts, and present an online version of this algorithm, which is now in production use. This is the first work to investigate alert detection on (several) publicly-available supercomputer system logs, thereby providing a reproducible performance baseline. C1 [Oliner, Adam J.; Aiken, Alex] Stanford Univ, Stanford, CA 94305 USA. [Stearley, Jon] Sandia Natl Labs, Albuquerque, NM 87111 USA. RP Oliner, AJ (reprint author), Stanford Univ, Stanford, CA 94305 USA. EM oliner@cs.stanford.edu; aiken@cs.stanford.edu; jrstear@sandia.gov FU U.S Department of Energy High PerformanceComputer Science Fellowship; Sandia is a multiprogram laboratory operated; Sandia Corporation, a Lockheed Martin Company; United States Department of Energy [DE-AC04-94AL85000] FX Work was funded in part by the U.S. Department of Energy High PerformanceComputer Science Fellowship.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 19 TC 9 Z9 9 U1 0 U2 0 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1264 USA SN 1550-4786 BN 978-0-7695-3502-9 J9 IEEE DATA MINING PY 2008 BP 959 EP + DI 10.1109/ICDM.2008.132 PG 2 WC Computer Science, Artificial Intelligence; Computer Science, Information Systems; Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BJA60 UT WOS:000264173600114 ER PT S AU Derr, K Manic, M AF Derr, Kurt Manic, Milos GP ICIEA TI Wireless based object tracking based on neural networks SO ICIEA 2008: 3RD IEEE CONFERENCE ON INDUSTRIAL ELECTRONICS AND APPLICATIONS, PROCEEDINGS, VOLS 1-3 SE IEEE Conference on Industrial Electronics and Applications LA English DT Proceedings Paper CT 3rd IEEE Conference on Industrial Electronics and Applications (ICIEA 2008) CY JUN 03-05, 2008 CL Singapore, SINGAPORE SP IEEE Ind Electron Chap, IEEE Ind Elect Soc, IEEE Control Syst Soc DE RSS; localization; neural network; CPN; k-nearest neighbor; signature recognition; GPS AB Location Based Services (LBS), context aware applications, and people and object tracking depend on the ability to locate mobile devices, also known as localization, in the wireless landscape. Localization enables a diverse set of applications that include, but are not limited to, vehicle guidance in an industrial environment, security monitoring, self-guided tours, personalized communications services, resource tracking, mobile commerce services, guiding emergency workers during fire emergencies, habitat monitoring, environmental surveillance, and receiving alerts. This paper presents a new neural network approach (LENSR) based on a competitive topological Counter Propagation Network (CPN) with k-nearest neighborhood vector mapping, for indoor location estimation based on received signal strength. The advantage of this approach is both speed and accuracy. The tested accuracy of the algorithm was 90.6% within I meter and 96.4% within 1.5 meters. Several approaches for location estimation using NVLAN technology were reviewed for comparison of results. C1 [Derr, Kurt] Idaho Natl Lab, 2525 Freemont Ave, Idaho Falls, ID 83415 USA. [Manic, Milos] Univ Idaho, Dept Comp Sci, Idaho Falls, ID 83402 USA. RP Derr, K (reprint author), Idaho Natl Lab, 2525 Freemont Ave, Idaho Falls, ID 83415 USA. EM derr5843@uidaho.edu; misko@uidaho.edu NR 23 TC 13 Z9 13 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 2156-2318 BN 978-1-4244-1718-6 J9 C IND ELECT APPL PY 2008 BP 308 EP + DI 10.1109/ICIEA.2008.4582530 PG 2 WC Automation & Control Systems; Engineering, Industrial; Engineering, Electrical & Electronic SC Automation & Control Systems; Engineering GA BIC09 UT WOS:000258323800062 ER PT B AU Lacy, JM Novascone, SR Richins, WD Larson, TK AF Lacy, J. M. Novascone, S. R. Richins, W. D. Larson, T. K. GP ASME TI A METHOD FOR SELECTING SOFTWARE FOR DYNAMIC EVENT ANALYSIS II: THE TAYLOR ANVIL AND DYNAMIC BRAZILIAN TESTS SO ICONE 16: PROCEEDING OF THE 16TH INTERNATIONAL CONFERENCE ON NUCLEAR ENGINEERING - 2008, VOL 4 LA English DT Proceedings Paper CT 16th International Conference on Nuclear Engineering CY MAY 11-15, 2008 CL Orlando, FL SP ASME, Nucl Engn Div, JSME, Japan Soc Mech Engineers AB New nuclear power reactor designs will require resistance to a variety of possible malevolent attacks as well as traditional dynamic accident scenarios. The design/analysis team may be faced with a broad range of phenomena including air and ground blasts, high-velocity penetrators or shaped charges, and vehicle or aircraft impacts. With a host of software tools available to address these high-energy events, the analysis team must evaluate and select the software most appropriate for their particular set of problems. The accuracy of the selected software should then be validated with respect to the phenomena governing the interaction of the threat and structure. Several software codes are available for the study of blast, impact, and other shock phenomena. At the Idaho National Laboratory (INL), a study is underway to investigate the comparative characteristics of a group of shock and high-strain rate physics codes including ABAQUS, LS-DYNA, CTH, ALEGRA, ALE3D, AUTODYN, and RADIOSS. In part I of this report published in 2007, a series of five benchmark problems to exercise some important capabilities of the subject software was identified. The benchmark problems selected are a Taylor cylinder test, a split Hopkinson pressure bar test, a free air blast, the dynamic splitting tension (Brazilian) test, and projectile penetration of a concrete slab. Part II-- this paper-- reports the results of two of the benchmark problems: the Taylor cylinder and the dynamic Brazilian test. The Taylor cylinder test is a method to determine the dynamic yield properties of materials. The test specimen is a right circular cylinder which is impacted against a theoretically rigid target. The cylinder deforms upon impact, with the final shape depending upon the specimen density, the impact velocity, and the dynamic yield stress, in turn a function of strain and strain rate. The splitting tension test, or Brazilian test, is a method to measure the tensile strength of concrete using a cylindrical specimen. The specimen is loaded diametrically in compression, producing a fracture at the center of the specimen that propagates toward the loading points until the cylinder is split. To generate a dynamic load, different methods such as a drop-weight or a split Hopkinson pressure bar are employed. The Taylor anvil and dynamic Brazilian test analyses are presented, including discussion of the analysis approach for each of the five subject software packages and two vendor submittals; comparison of results both among the codes and to physical test results; and conclusions as to the applicability of the subject codes to these two problems. Studies of the remaining three benchmark problems and overall conclusions will be presented in future publications. C1 [Lacy, J. M.; Novascone, S. R.; Richins, W. D.] Idaho Natl Lab, Dept Appl Mech, Idaho Falls, ID 83415 USA. RP Lacy, JM (reprint author), Idaho Natl Lab, Dept Appl Mech, Idaho Falls, ID 83415 USA. NR 17 TC 0 Z9 0 U1 1 U2 1 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-791-84817-3 PY 2008 BP 261 EP 270 PG 10 WC Energy & Fuels; Engineering, Civil; Engineering, Mechanical; Physics, Nuclear SC Energy & Fuels; Engineering; Physics GA BIM15 UT WOS:000260672200032 ER PT B AU Stanley, CJ Marshall, FM AF Stanley, Clifford J. Marshall, Frances M. GP ASME TI ADVANCED TEST REACTOR - A NATIONAL SCIENTIFIC USER FACILITY SO ICONE 16: PROCEEDING OF THE 16TH INTERNATIONAL CONFERENCE ON NUCLEAR ENGINEERING - 2008, VOL 4 LA English DT Proceedings Paper CT 16th International Conference on Nuclear Engineering CY MAY 11-15, 2008 CL Orlando, FL SP ASME, Nucl Engn Div, JSME, Japan Soc Mech Engineers AB This presentation and associated paper provides an overview of the research and irradiation capabilities of the Advanced Test Reactor (ATR) located at the U.S. Department of Energy Idaho National Laboratory (INL). The ATR which has been designated by DOE as a National Scientific User Facility (NSUF) is operated by Battelle Energy Alliance, LLC. This paper will describe the ATR and discuss the research opportunities for university (faculty and students) and industry researchers to use this unique facility for nuclear fuels and materials experiments in support of advanced reactor development and life extension issues for currently operating nuclear reactors. The ATR is a pressurized, light-water moderated and cooled, beryllium-reflected nuclear research reactor with a maximum operating power of 250 MWth. The unique serpentine configuration (Fig. 1) of the fuel elements creates five main reactor power lobes (regions) and nine flux traps. In addition to these nine flux traps there are 68 additional irradiation positions in the reactor core reflector tank. There are also 34 low-flux irradiation positions in the irradiation tanks outside the core reflector tank. The ATR is designed to provide a test environment for the evaluation of the effects of intense radiation (neutron and gamma). Due to the unique serpentine core design each of the five lobes can be operated at different powers and controlled independently. Options exist for the individual test trains and assemblies to be either cooled by the ATR coolant (i.e., exposed to ATR coolant flow rates, pressures, temperatures, and neutron flux) or to be installed in their own independent test loops where such parameters as temperature, pressure, flow rate, neutron flux, and chemistry can be controlled per experimenter specifications. The full-power maximum thermal neutron flux is similar to 1.0 x 10(15) n/cm(2)-sec with a maximum fast flux of similar to 5.0 x 10(14) n/cm(2)-sec. C1 [Stanley, Clifford J.] Idaho Natl Lab, Irradiat Test Programs, ATR Nucl Engn, Idaho Falls, ID 83415 USA. RP Stanley, CJ (reprint author), Idaho Natl Lab, Irradiat Test Programs, ATR Nucl Engn, POB 1625,MS-7136, Idaho Falls, ID 83415 USA. NR 4 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-791-84817-3 PY 2008 BP 367 EP 372 PG 6 WC Energy & Fuels; Engineering, Civil; Engineering, Mechanical; Physics, Nuclear SC Energy & Fuels; Engineering; Physics GA BIM15 UT WOS:000260672200045 ER PT B AU Oh, CH Kim, ES Sherman, S AF Oh, Chang H. Kim, Eung Soo Sherman, Steven GP ASME TI STRESS ANALYSES OF INTERMEDIATE HEAT TRANSFER LOOP SO ICONE 16: PROCEEDING OF THE 16TH INTERNATIONAL CONFERENCE ON NUCLEAR ENGINEERING - 2008, VOL 4 LA English DT Proceedings Paper CT 16th International Conference on Nuclear Engineering CY MAY 11-15, 2008 CL Orlando, FL SP ASME, Nucl Engn Div, JSME, Japan Soc Mech Engineers AB The Department of Energy and the Idaho National Laboratory are developing a Next Generation Nuclear Plant (NGNP) to serve as a demonstration of state-of-the-art nuclear technology. The purpose of the demonstration is two fold 1) efficient low cost energy generation and 2) hydrogen production. Although a next generation plant could be developed as a single-purpose facility dedicated to hydrogen production, early designs are expected to be dual purpose. While hydrogen production and advanced energy cycles are still in its early stages of development, research towards coupling a high temperature reactor with electrical generation and hydrogen production is under way. Many aspects of the NGNP must be researched and developed in order to make recommendations on the final design of the plant. Parameters such as working conditions, cycle components, working fluids, and power conversion unit configurations must be understood. A number of configurations of the power conversion unit were demonstrated in this study. An intermediate heat transport loop for transporting process heat to a High Temperature Steam Electrolysis (HTSE) hydrogen production plant was used. Helium, CO2, and a 80% nitrogen, 20% helium mixture (by weight) were studied to determine the best working fluid in terms cycle efficiency and development cost. In each of these configurations the relative component sizes were estimated for the different working fluids. Parametric studies were carried out on reactor outlet temperature, mass flow, pressure, and turbine cooling. Recommendations on the optimal working fluid for each configuration were made. Engineering analyses were performed for several configurations of the intermediate heat transport loop that transfers heat from the nuclear reactor to the hydrogen production plant. The analyses evaluated parallel and concentric piping arrangements and two different working fluids, including helium and a liquid salt. The thermal-hydraulic analyses determined the size and insulation requirements for the hot and cold leg pipes in the different configurations. Mechanical analyses were performed to determine hoop stresses and thermal expansion characteristics for the different configurations. C1 [Oh, Chang H.; Kim, Eung Soo] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Oh, CH (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. NR 9 TC 0 Z9 0 U1 2 U2 3 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-791-84817-3 PY 2008 BP 445 EP 451 PG 7 WC Energy & Fuels; Engineering, Civil; Engineering, Mechanical; Physics, Nuclear SC Energy & Fuels; Engineering; Physics GA BIM15 UT WOS:000260672200055 ER PT B AU Naus, DJ Mattus, CH Dole, LR Graves, HL AF Naus, Dan J. Mattus, Catherine H. Dole, Leslie R. Graves, Herman L., III GP ASME TI PHOSPHATE IONS - DOES EXPOSURE LEAD TO DEGRADATION OF CEMENTITIOUS MATERIALS? SO ICONE16: PROCEEDING OF THE 16TH INTERNATIONAL CONFERENCE ON NUCLEAR ENGINEERING - 2008, VOL 1 LA English DT Proceedings Paper CT 16th International Conference on Nuclear Engineering CY MAY 11-15, 2008 CL Orlando, FL SP ASME, Nucl Engn Div, JSME, Japan Soc Mech Engineers ID CALCIUM-PHOSPHATE; PRECIPITATION AB An assessment of the potential effects of phosphate ions on cementitious materials was made through a review of the literature, contacts with concrete research personnel, and conduct of a "bench-scale" laboratory investigation [1]. The objectives of this limited study were to: (1) review the potential for degradation of cementitious materials due to exposure to high concentrations of phosphate ions; (2) provide an improved understanding of any significant factors that may lead to a requirement to establish exposure limits for concrete structures exposed to soils or ground waters containing high levels of phosphate ions; (3) recommend, as appropriate, whether a limitation on phosphate ion concentration in soils or ground water is required to avoid degradation of concrete structures; and (4) provide a "primer" on factors that can affect the durability of concrete materials and structures in nuclear power plants. Results of a literature review, contacts with industry personnel, and a laboratory investigation indicate that no harmful interactions occur between phosphate ions and cementitious materials unless phosphates are present in form of phosphoric acid. Relative to the "primer," NUREG/CR-6927, published in February 2007, provides a review of pertinent factors that can affect the durability of nuclear power plant reinforced concrete structures. C1 [Naus, Dan J.; Mattus, Catherine H.; Dole, Leslie R.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Naus, DJ (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RI Mattus, Catherine/E-5591-2017 OI Mattus, Catherine/0000-0002-4574-1588 NR 10 TC 0 Z9 0 U1 0 U2 2 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-79184-814-2 PY 2008 BP 415 EP 421 PG 7 WC Energy & Fuels; Engineering, Civil; Engineering, Mechanical; Physics, Nuclear SC Energy & Fuels; Engineering; Physics GA BIM73 UT WOS:000260914700049 ER PT B AU Wilde, TS Holmes, RA Sandquist, GM AF Wilde, Taunia S. Holmes, Richard A. Sandquist, Gary M. GP ASME TI REVIEW OF QUALITY ASSURANCE FOR CMRR AT LANL SO ICONE16: PROCEEDING OF THE 16TH INTERNATIONAL CONFERENCE ON NUCLEAR ENGINEERING - 2008, VOL 1 LA English DT Proceedings Paper CT 16th International Conference on Nuclear Engineering CY MAY 11-15, 2008 CL Orlando, FL SP ASME, Nucl Engn Div, JSME, Japan Soc Mech Engineers DE CMRR; LANL; nuclear; weapons; defense; quality assurance; DOE O 414; 10 CFR 830; and ASME NQA-1 AB The Chemistry and Metallurgy Research Replacement (CMRR) Project under development at Los Alamos National Laboratory is being executed under a variety of Quality Assurance Requirements, DOE Orders, and CFR Regulations for the design, construction, and testing of all physical aspects of the CMRR Project. This unique US Nuclear Defense Project is the most significant new nuclear weapons infrastructure development since inception of the Manhattan Engineering District Program in the 1940's. Those unclassified aspects of QA requirements and procedures implemented for this major project arc presented and assessed for meeting the demanding requirements imposed to ensure safety, reliability, and success of this vital facility to secure US Nuclear Defense in the 21st century. C1 [Wilde, Taunia S.; Holmes, Richard A.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Wilde, TS (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. EM twilde@lanl.gov; raholmes@lanl.qov; gms@asp-llc.com NR 5 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-79184-814-2 PY 2008 BP 939 EP 946 PG 8 WC Energy & Fuels; Engineering, Civil; Engineering, Mechanical; Physics, Nuclear SC Energy & Fuels; Engineering; Physics GA BIM73 UT WOS:000260914700113 ER PT B AU Wilde, T Baker, S Sandquist, GM AF Wilde, Taunia Baker, Shannan Sandquist, Gary M. GP ASME TI CODES, STANDARDS AND REGULATORY TOPICS FOR NUCLEAR FACILITIES SO ICONE16: PROCEEDING OF THE 16TH INTERNATIONAL CONFERENCE ON NUCLEAR ENGINEERING - 2008, VOL 1 LA English DT Proceedings Paper CT 16th International Conference on Nuclear Engineering CY MAY 11-15, 2008 CL Orlando, FL SP ASME, Nucl Engn Div, JSME, Japan Soc Mech Engineers DE NRC; DOE; DOD; ASME; NQA-1; QA; QC AB The design, construction, operation, maintenance, and decommissioning and decontamination of nuclear infrastructure particularly nuclear power plants licensed in the US by the US Nuclear Regulatory Commission (NRC) or operated by the US Department of Energy (DOE) or the US Department of Defense (DOD) must be executed under a rigorous and documented quality assurance program that provides adequate quality control and oversight. Those codes, standards, and orders regulate, document and prescribe the essentials for quality assurance (QA) and quality control (QC) that frequently impact nuclear facilities operated in the US are reviewed and compared. C1 [Wilde, Taunia; Baker, Shannan] Los Alamos Natl Lab, Los Alamos, NM USA. RP Wilde, T (reprint author), Los Alamos Natl Lab, Los Alamos, NM USA. EM twilde@lanl.gov; sbaker@lanl.gov; gms@asp-llc.com NR 4 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 978-0-79184-814-2 PY 2008 BP 957 EP 961 PG 5 WC Energy & Fuels; Engineering, Civil; Engineering, Mechanical; Physics, Nuclear SC Energy & Fuels; Engineering; Physics GA BIM73 UT WOS:000260914700115 ER PT B AU Griffith, A Boger, J Perry, J AF Griffith, Andrew Boger, John Perry, Jeffrey GP ASME TI THE ADVANCED FUEL CYCLE FACILITY (AFCF) ROLE IN THE GLOBAL NUCLEAR ENERGY PARTNERSHIP SO ICONE16: PROCEEDING OF THE 16TH INTERNATIONAL CONFERENCE ON NUCLEAR ENGINEERING - 2008, VOL 2 LA English DT Proceedings Paper CT 16th International Conference on Nuclear Engineering CY MAY 11-15, 2008 CL Orlando, FL SP ASME, Nucl Engn Div, JSME, Japan Soc Mech Engineers AB The Global Nuclear Energy Partnership (GNEP), launched in February, 2006, proposes to introduce used nuclear fuel recycling in the United States (U.S.) with improved proliferation-resistance and a more effective waste management approach. This program is evaluating ways to close the fuel cycle in a manner that introduces the most advanced technologies of today and builds on recent breakthroughs in U.S. national laboratories while drawing on international and industry partnerships. Central to moving this advanced fuel recycling technology from the laboratory to commercial implementation is the development and siting of three proposed GNEP facilities: the Consolidated Fuel Treatment Center (CFTC), the Advanced Burner Reactor (ABR), and the Advanced Fuel Cycle Facility (AFCF). These three projects are envisioned to introduce used fuel separations, advanced fuel fabrication, and fast reactor technology in a manner that efficiently recycles material, produces the most energy out of the existing inventory of used fuel, and improves our ability to manage nuclear waste. The CFTC and ABR will depend on industry involvement and will not be covered by this paper. This paper will cover key considerations for the AFCF. The AFCF will provide the U.S. with the capabilities required to evaluate technologies that separate used fuel into reusable material and waste in a proliferation-resistant manner. The separations technology demonstration capability is coupled with a remote transmutation fuel fabrication demonstration capability in an integrated manner that demonstrates advanced safeguard technologies. C1 [Griffith, Andrew; Boger, John] US DOE, Off Nucl Energy, Washington, DC USA. RP Griffith, A (reprint author), US DOE, Off Nucl Energy, Washington, DC USA. NR 3 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4815-9 PY 2008 BP 31 EP 40 PG 10 WC Engineering, Environmental; Engineering, Mechanical; Mechanics SC Engineering; Mechanics GA BIM74 UT WOS:000260915300005 ER PT B AU Bateman, KJ Solbrig, CW AF Bateman, Kenneth J. Solbrig, Charles W. GP ASME TI USE OF SIMILARITY ANALYSIS ON EXPERIMENTS OF DIFFERENT SIZE TO PREDICT CRITICAL COOLING RATES FOR LARGE CERAMIC WASTE FORMS SO ICONE16: PROCEEDING OF THE 16TH INTERNATIONAL CONFERENCE ON NUCLEAR ENGINEERING - 2008, VOL 2 LA English DT Proceedings Paper CT 16th International Conference on Nuclear Engineering CY MAY 11-15, 2008 CL Orlando, FL SP ASME, Nucl Engn Div, JSME, Japan Soc Mech Engineers AB Ceramic waste forms (CWF) are produced to store fission products for the long term. They are cast into cylindrical shape at high temperature (925 degrees C). Rapid cooling of the product is desirable for product turnaround, but cooling has the potential to crack the coalesced product into many pieces due to thermal stress. This paper investigates the rapid-cooling process with a borosilicate-glass component of the CWF used as a surrogate. The critical cooling rate of formed cylinders (the rate which separates the damage from the no-damage region) has been determined. This paper extends previous experimental data and analysis to production temperature as a step in the extrapolation of the data to production CWF's. The glass solidifies in the range of 650 degrees C to 625 degrees C. The previous tests (7.8-cm diameter) were all run starting from a solid (625 degrees C or less) to provide a basis for the higher temperature cases. Thermal stress cannot build up until solidification begins to occur. The current tests (7.8 and 9.9cm diameter) were run from the liquid temperature of 925 degrees C. A theoretical model has been developed to analyze the data. The model includes heat transfer and the stress developed from the thermal gradients. Similarity analysis based on this model is used to produce dimensionless charts which allow data of different initial temperatures and diameters to be analyzed. The new data corroborated the previous estimate of the critical cooling rate and analytical-model projection for the minimum in-furnace cooling times for two production size CWF's that will be stored in Yucca Mountain (70 hours for the 52-cm diameter and 35 days for the 181.5-cm sizes). To further reduce these times, an analytical prediction was made which shows that the formed cylinder can be removed from a furnace at a temperature of 320 degrees C without any danger of cracking. C1 [Bateman, Kenneth J.; Solbrig, Charles W.] Idaho Natl Lab, Fuel Cycle Programs Div, Idaho Falls, ID 83415 USA. RP Bateman, KJ (reprint author), Idaho Natl Lab, Fuel Cycle Programs Div, Idaho Falls, ID 83415 USA. NR 6 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4815-9 PY 2008 BP 41 EP 50 PG 10 WC Engineering, Environmental; Engineering, Mechanical; Mechanics SC Engineering; Mechanics GA BIM74 UT WOS:000260915300006 ER PT B AU Wahlquist, DL Bateman, KJ Westphal, BR AF Wahlquist, Dennis L. Bateman, Kenneth J. Westphal, Brian R. GP ASME TI SECOND GENERATION EXPERIMENTAL EQUIPMENT DESIGN TO SUPPORT VOLOXIDATION TESTING AT INL SO ICONE16: PROCEEDING OF THE 16TH INTERNATIONAL CONFERENCE ON NUCLEAR ENGINEERING - 2008, VOL 2 LA English DT Proceedings Paper CT 16th International Conference on Nuclear Engineering CY MAY 11-15, 2008 CL Orlando, FL SP ASME, Nucl Engn Div, JSME, Japan Soc Mech Engineers AB Voloxidation is a potential process used to prepare fuel for spent-oxide-fuel treatment. The spent oxide fuel is heated to an elevated temperature in oxygen or air to promote separation of the fuel from the cladding. Low pressures are also required to enhance volatizing the fission products. The Idaho National Laboratory and the Korea Atomic Energy Research Institute have been collaborating on voloxidation research through a joint International Nuclear Energy Research Initiative project. The new high temperature multiple zone furnace and off-gas trapping system (OTS) are designed for remote operation in the Hot Fuel Examination Facility. The OTS is designed to handle vacuum, oxidizing environments, and high temperatures. Distinctive temperature zones of the furnace are used to selectively capture the fission products. Vacuum conditions at elevated temperatures are achieved by incorporating various metal seals. The OTS has proved durable under these aggressive operating conditions. A detailed description of the second generation furnace and OTS with enhanced capabilities will be presented. C1 [Wahlquist, Dennis L.; Bateman, Kenneth J.; Westphal, Brian R.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Wahlquist, DL (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA. OI Wahlquist, Dennis/0000-0001-5182-5078 NR 10 TC 0 Z9 0 U1 0 U2 2 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-7918-4815-9 PY 2008 BP 91 EP 97 PG 7 WC Engineering, Environmental; Engineering, Mechanical; Mechanics SC Engineering; Mechanics GA BIM74 UT WOS:000260915300012 ER PT B AU Pointer, WD Tentner, A Sofu, T Lo, S Splawski, A AF Pointer, W. David Tentner, Adrian Sofu, Tanju Lo, Simon Splawski, Andrew GP ASME TI PREDICTION OF BOILING WATER REACTOR ASSEMBLY VOID DISTRIBUTIONS USING A TWO-PHASE COMPUTATIONAL FLUID DYNAMICS MODEL SO ICONE16: PROCEEDING OF THE 16TH INTERNATIONAL CONFERENCE ON NUCLEAR ENGINEERING - 2008, VOL 2 LA English DT Proceedings Paper CT 16th International Conference on Nuclear Engineering CY MAY 11-15, 2008 CL Orlando, FL SP ASME, Nucl Engn Div, JSME, Japan Soc Mech Engineers AB This paper presents recent results obtained as part of the on-going integral validation of an advanced Eulerian-Eulerian two-phase (E2P) computational fluid dynamics based boiling model that allows the detailed analysis of the two-phase flow and heat transfer phenomena in a Boiling Water Reactor (BWR) fuel assembly. The code is being developed as a customized module built on the foundation of the commercial CFD-code STAR-CD which provides general two-phase flow modeling capabilities. Simulations of a prototypic BWR fuel assembly experiment have been completed as an initial assessment of the applicability of the E2P model to realistic BWR geometries and conditions. Initial validation has focused on comparison with measured sub-channel averaged data to enable the benchmarking of the accuracy of the E2P against the current predictive capabilities of the sub-channel methods. The paper will discuss the effects of modeling assumptions, assumed coefficient values and the computational mesh structure used to describe the fuel assembly geometry on the accuracy of the sub-channel averaged void fraction. C1 [Pointer, W. David; Tentner, Adrian; Sofu, Tanju] Argonne Natl Lab, Argonne, IL 60439 USA. RP Pointer, WD (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM pointer@anl.gov OI Pointer, W. David/0000-0003-0946-7937 NR 11 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 978-0-7918-4815-9 PY 2008 BP 321 EP 329 PG 9 WC Engineering, Environmental; Engineering, Mechanical; Mechanics SC Engineering; Mechanics GA BIM74 UT WOS:000260915300039 ER PT B AU Riemke, RA Davis, CB Schultz, RR AF Riemke, Richard A. Davis, Cliff B. Schultz, Richard R. GP ASME TI HEAT TRANSFER BOUNDARY CONDITIONS IN THE RELAP5-3D CODE SO ICONE16: PROCEEDING OF THE 16TH INTERNATIONAL CONFERENCE ON NUCLEAR ENGINEERING - 2008, VOL 3 LA English DT Proceedings Paper CT 16th International Conference on Nuclear Engineering CY MAY 11-15, 2008 CL Orlando, FL SP ASME, Nucl Engn Div, JSME, Japan Soc Mech Engineers AB The heat transfer boundary conditions used in the RELAP5-3D computer program have evolved over the years. Currently, RELAP5-3D has the following options for the heat transfer boundary conditions: (a) heat transfer correlation package option, (b) non-convective option (from radiation/conduction enclosure model or symmetry/insulated conditions), and (c) other options (setting the surface temperature to a volume fraction averaged fluid temperature of the boundary volume, obtaining the surface temperature from a control variable, obtaining the surface temperature from a time-dependent general table, obtaining the heat flux from a time-dependent general table, or obtaining heat transfer coefficients front either a time- or temperature-dependent general table). These options will be discussed, including the more recent ones. C1 [Riemke, Richard A.; Davis, Cliff B.; Schultz, Richard R.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Riemke, RA (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM Richard.Riemke@inl.gov; Cliff.Davis@inl.gov; Richard.Schultz@inl.gov NR 11 TC 0 Z9 0 U1 0 U2 0 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-79184-816-6 PY 2008 BP 177 EP 181 PG 5 WC Automation & Control Systems; Instruments & Instrumentation; Mechanics SC Automation & Control Systems; Instruments & Instrumentation; Mechanics GA BIM75 UT WOS:000260916100020 ER PT B AU Tentner, A Lo, S Splawski, A Ioilev, A Melnikov, V Samigulin, M Ustinenko, V Melnikova, S AF Tentner, Adrian Lo, Simon Splawski, Andrew Ioilev, Andrey Melnikov, Vladimir Samigulin, Maskhud Ustinenko, Vasily Melnikova, Sufia GP ASME TI COMPUTATIONAL FLUID DYNAMICS MODELING OF TWO-PHASE FLOW TOPOLOGIES IN A BOILING WATER REACTOR FUEL ASSEMBLY SO ICONE16: PROCEEDING OF THE 16TH INTERNATIONAL CONFERENCE ON NUCLEAR ENGINEERING - 2008, VOL 3 LA English DT Proceedings Paper CT 16th International Conference on Nuclear Engineering CY MAY 11-15, 2008 CL Orlando, FL SP ASME, Nucl Engn Div, JSME, Japan Soc Mech Engineers AB This paper presents recent advances in the development and validation of the two-phase flow topology models implemented in CFD-BWR, an advanced Computational Fluid Dynamics (CFD) computer code that allows the detailed analysis of the two-phase flow and heat transfer phenomena in Boiling Water Reactor (BWR) fuel assemblies under various operating conditions. The local inter-phase surface topology plays a central role in determining the mass, momentum, and energy exchanges between the liquid and vapor phases and between the two-phase coolant and the fuel pin cladding. The paper describes the topology map used to determine the local inter-phase surface topology and the role of the local topology in determining the inter-phase mass, momentum, and energy transfer. It discusses the relationship between the local interphase surface topology and the traditional channel flow regimes and presents results of experiment analyses in which computed local topologies are aggregated into flow regimes and compared with experimental observations. C1 [Tentner, Adrian] Argonne Natl Lab, Argonne, IL 60439 USA. RP Tentner, A (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 13 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 978-0-79184-816-6 PY 2008 BP 430 EP 440 PG 11 WC Automation & Control Systems; Instruments & Instrumentation; Mechanics SC Automation & Control Systems; Instruments & Instrumentation; Mechanics GA BIM75 UT WOS:000260916100049 ER PT B AU McCreery, GE McIlroy, HM Hamman, KD Zhang, HB AF McCreery, Glenn E. McIlroy, Hugh M. Hamman, Kurt D. Zhang, Hongbin GP ASME TI DESIGN OF WIRE-WRAPPED ROD BUNDLE MATCHED INDEX-OF-REFRACTION EXPERIMENTS SO ICONE16: PROCEEDING OF THE 16TH INTERNATIONAL CONFERENCE ON NUCLEAR ENGINEERING - 2008, VOL 3 LA English DT Proceedings Paper CT 16th International Conference on Nuclear Engineering CY MAY 11-15, 2008 CL Orlando, FL SP ASME, Nucl Engn Div, JSME, Japan Soc Mech Engineers AB Experiments will be conducted in the Idaho National Laboratory (INL) Matched Index-of-Refraction (MIR) Flow Facility [1] to characterize the three-dimensional velocity and turbulence fields in a wire-wrapped rod bundle typically employed in liquid-metal cooled fast reactors and to provide benchmark data for computer code validation. Sodium cooled fast reactors are under consideration for use in the U.S. Department of Energy (DOE) Global Nuclear Energy Partnership (GNEP) program. The experiment model will be constructed of quartz components and the working fluid will be mineral oil. Accurate temperature control (to within +/- 0.05 degrees C) matches the index-of-refraction of mineral oil with that of quartz and renders the model transparent to the wavelength of laser light employed for optical measurements. The model will be a scaled 7-pin rod bundle enclosed in a hexagonal canister. Flow field measurements will be obtained with a LaVision 3-D particle image velocimeter (PIV) and complimented by near-wall velocity measurements obtained from a 2-D laser Doppler velocimeter (LDV). These measurements will be used as benchmark data for computational fluid dynamics (CFD) validation. The rod bundle model dimensions will be scaled up from the typical dimensions of a fast reactor fuel assembly to provide the maximum Reynolds number achievable in the MIR flow loop. A range of flows from laminar to fully-turbulent will be available with a maximum Reynolds number, based on bundle hydraulic diameter, of approximately 22,000. The fuel pins will be simulated by 85 mm diameter quartz tubes (closed on the inlet ends) and the wire-wrap will be simulated by 25 mm diameter quartz rods. The canister walls will be constructed from quartz plates. The model will be approximately 2.13 m in length. Bundle pressure losses will also be measured and the data recorded for code comparisons. The experiment design and preliminary CFD Calculations, which will be used to provide qualitative hydrodynamic information, are presented in this paper. C1 [McCreery, Glenn E.; McIlroy, Hugh M.; Hamman, Kurt D.; Zhang, Hongbin] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP McCreery, GE (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM Glenn.McCreery@inl.gov; Hugh.Mcilroy@inl.gov; Kurt.Hamman@inl.gov; Hongbin.Zhang@inl.gov NR 12 TC 0 Z9 0 U1 0 U2 3 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-79184-816-6 PY 2008 BP 595 EP 605 PG 11 WC Automation & Control Systems; Instruments & Instrumentation; Mechanics SC Automation & Control Systems; Instruments & Instrumentation; Mechanics GA BIM75 UT WOS:000260916100068 ER PT B AU McIlroy, HM McEligot, DM Pink, RJ AF McIlroy, Hugh M., Jr. McEligot, Donald M. Pink, Robert J. GP ASME TI MEASUREMENT OF FLOW PHENOMENA IN A LOWER PLENUM MODEL OF A PRISMATIC GAS-COOLED REACTOR SO ICONE16: PROCEEDING OF THE 16TH INTERNATIONAL CONFERENCE ON NUCLEAR ENGINEERING - 2008, VOL 3 LA English DT Proceedings Paper CT 16th International Conference on Nuclear Engineering CY MAY 11-15, 2008 CL Orlando, FL SP ASME, Nucl Engn Div, JSME, Japan Soc Mech Engineers AB Mean-velocity-field and turbulence data arc presented that measure turbulent flow phenomena in an approximately 1:7 scale model of a region of the lower plenum of a typical prismatic gas-cooled reactor (GCR) similar to a General Atomics Gas-Turbine-Modular Helium Reactor (GTMHR) design. The data were obtained in the Matched-Index-of-Refraction (MIR) facility at Idaho National Laboratory (INL) and are offered for assessing computational fluid dynamics (CFD) software. This experiment has been selected as the first Standard Problem endorsed by the Generation IV International Forum. Results concentrate oil the region of the lower plenum near its far reflector wall (away from the Outlet duct). The flow in the lower plenum consists of multiple jets injected into a confined cross flow - with obstructions. The model consists of a row of full circular posts along its centerline with half-posts on the two parallel walls to approximate geometry scaled to that expected from the staggered parallel rows of posts in the reactor design. The model is fabricated from clear, fused quartz to match the refractive-index of the working fluid so that optical techniques may be employed for the measurements. The benefit of the MIR technique is that it permits optical measurements to determine flow characteristics in complex passages in and around objects to be obtained without locating intrusive transducers that will disturb the flow field and without distortion of the optical paths. An advantage of the INL system is its large size, leading to improved spatial and temporal resolution compared to similar facilities at smaller scales. A three-dimensional (3-D) Particle Image Velocimetry (PIV) system was used to collect the data. Inlet jet Reynolds numbers (based on the jet diameter and the time-mean bulk velocity) are approximately 4,300 and 12,400. Uncertainty analyses and a discussion of the standard problem are included. The measurements reveal developing, non-uniform, turbulent flow in the inlet jets and complicated flow patterns in the model lower plenum. Data include three-dimensional vector plots, data displays along the coordinate planes (slices) and presentations that describe the component flows at specific regions in the model. Information on inlet conditions is also presented. C1 [McIlroy, Hugh M., Jr.; McEligot, Donald M.; Pink, Robert J.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP McIlroy, HM (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA. NR 11 TC 0 Z9 0 U1 0 U2 2 PU AMER SOC MECHANICAL ENGINEERS PI NEW YORK PA THREE PARK AVENUE, NEW YORK, NY 10016-5990 USA BN 978-0-79184-816-6 PY 2008 BP 783 EP 791 PG 9 WC Automation & Control Systems; Instruments & Instrumentation; Mechanics SC Automation & Control Systems; Instruments & Instrumentation; Mechanics GA BIM75 UT WOS:000260916100089 ER PT B AU Bronevetsky, G de Supinski, BR AF Bronevetsky, Greg de Supinski, Bronis R. GP ACM TI Soft Error Vulnerability of Iterative Linear Algebra Methods SO ICS'08: PROCEEDINGS OF THE 2008 ACM INTERNATIONAL CONFERENCE ON SUPERCOMPUTING LA English DT Proceedings Paper CT 22nd ACM International Conference on Supercomputing CY JUN 07-12, 2006 CL Kos Isl, GREECE SP ACM DE fault tolerance; soft errors; parallel; iterative methods; linear algebra ID FAULT-TOLERANCE AB Devices are increasingly vulnerable to soft errors as their feature sizes shrink. Previously, soft error rates were significant primarily in space and high-atmospheric computing. Modern architectures now use features so small at sufficiently low voltages that soft errors are becoming important even at terrestrial altitudes. Due to their large number of components, supercomputers are particularly susceptible to soft errors. Since many large scale parallel scientific applications use iterative linear algebra methods, the soft error vulnerability of these methods constitutes a large fraction of the applications' overall vulnerability. Many users consider these methods invulnerable to most soft errors since they converge from an imprecise solution to a precise one. However, we show in this paper that iterative methods are vulnerable to soft errors, exhibiting both silent data corruptions and poor ability to detect errors. Further, we evaluate a variety of soft error detection and tolerance techniques, including checkpointing, linear matrix encodings, and residual tracking techniques. C1 [Bronevetsky, Greg; de Supinski, Bronis R.] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. RP Bronevetsky, G (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. EM bronevetsky1@llnl.gov; bronis@llnl.gov NR 34 TC 31 Z9 31 U1 0 U2 1 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-60558-158-3 PY 2008 BP 155 EP 164 PG 10 WC Computer Science, Hardware & Architecture SC Computer Science GA BJI72 UT WOS:000266202400016 ER PT B AU Iancu, C Chen, W Yelick, K AF Iancu, Costin Chen, Wei Yelick, Katherine GP ACM TI Performance Portable Optimizations for Loops Containing Communication Operations SO ICS'08: PROCEEDINGS OF THE 2008 ACM INTERNATIONAL CONFERENCE ON SUPERCOMPUTING LA English DT Proceedings Paper CT 22nd ACM International Conference on Supercomputing CY JUN 07-12, 2006 CL Kos Isl, GREECE SP ACM DE Parallel Programming; Program Transformations; Performance Portability; Communication Code Generation; Latency Hiding AB Effective use of communication networks is critical to the performance and scalability of parallel applications. Partitioned Global Address Space languages like UPC bring the promise of performance and programmer productivity. Studies of well-tuned programs have suggested that PGAS languages are effective at utilizing modern networks because their one-sided communication is a good match to the underlying network hardware. An open question is whether the manual optimizations required to achieve good performance can be performed automatically by the compiler in a performance portable manner. In this paper we present a compiler and runtime optimization framework for loops containing communication operations. Our framework performs compile time message vectorization and strip-mining and defers until runtime the selection of the actual communication operations. At runtime, the communication requirements of the program are analyzed, and communication is instantiated and scheduled based on highly tuned network and application performance models. The runtime analysis takes into account network flow control and quality-of-service restrictions, and it is able to select from a large class of available communication primitives the communication schedule best suited for the dynamic combination of input size and system parameters. The results indicate that our framework produces code that scales and performs better than that of manually optimized implementations. Our approach not only improves performance, but increases programmer productivity as well. C1 [Iancu, Costin] Lawrence Berkeley Natl Lab, Berkeley, CA USA. RP Iancu, C (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA USA. EM cciancu@lbl.gov; wychen@cs.berkeley.edu; yelick@cs.berkeley.edu NR 28 TC 1 Z9 1 U1 0 U2 0 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 1515 BROADWAY, NEW YORK, NY 10036-9998 USA BN 978-1-60558-158-3 PY 2008 BP 266 EP 276 PG 11 WC Computer Science, Hardware & Architecture SC Computer Science GA BJI72 UT WOS:000266202400027 ER PT B AU Moazzeni, T Jiang, YT Ma, J Li, N AF Moazzeni, Taleb Jiang, Yingtao Ma, Jian Li, Ning BE Yuan, BZ Ruan, QQ Tang, XF TI Algorithms for the Measurement of Liquid Metal Coolant Flow Velocity with Correlated Thermal Signals SO ICSP: 2008 9TH INTERNATIONAL CONFERENCE ON SIGNAL PROCESSING, VOLS 1-5, PROCEEDINGS LA English DT Proceedings Paper CT 9th International Conference on Signal Processing CY OCT 26-29, 2008 CL Beijing, PEOPLES R CHINA SP IEEE, Signal Proc Soc, IET, CIE, uRSi, IEEE Press AB The flow velocity of liquid metal coolant can be determined through the measurements of temperature fluctuation recorded by a pair of temperature sensors placed certain distance apart along the flow. Traditionally, this was done using a cross-correlation algorithm to estimate the transit time of the coolant, and thus its velocity. This widely used cross-correlation algorithm, however, suffers from the ambiguity in reading of measurements. To alleviate this problem, the transfer function estimation approach was recently proposed which tends to give more accurate results. In this paper, we introduce a new algorithm that can further improve the accuracy in the transit time estimation using an adaptive inverse system model at a higher cost of computation. When real-time computation is a concern, we propose a second algorithm based on an adaptive filtering approach which makes a sound trade-off between accuracy and computation cost. This algorithm incurs less processing time than the first proposed algorithm with higher accuracy than the two aforementioned conventional algorithms. C1 [Moazzeni, Taleb; Jiang, Yingtao] Univ Nevada, Dept Elect & Comp Engn, Las Vegas, NV 89154 USA. [Ma, Jian] Univ Nevada, Dept Mech Engn, Las Vegas, NV 89557 USA. [Li, Ning] Los Alamos Natl Lab, Dept Energy, Los Alamos, NM USA. RP Moazzeni, T (reprint author), Univ Nevada, Dept Elect & Comp Engn, Las Vegas, NV 89154 USA. NR 10 TC 0 Z9 0 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA BN 978-1-4244-2178-7 PY 2008 BP 2699 EP + PG 2 WC Engineering, Electrical & Electronic SC Engineering GA BLO26 UT WOS:000270665401223 ER PT B AU Kafesaki, M Penciu, R Economou, EN Katsarakis, N Soukoulis, CM Koschny, T AF Kafesaki, Maria Penciu, Raluca Economou, Eleftherios N. Katsarakis, Nikos Soukoulis, Costas M. Koschny, Thomas BE Marciniak, M TI Metamaterials for microwaves and optics SO ICTON 2008: PROCEEDINGS OF 2008 10TH ANNIVERSARY INTERNATIONAL CONFERENCE ON TRANSPARENT OPTICAL NETWORKS, VOL 2 LA English DT Proceedings Paper CT 10th International Conference on Transparent Optical Networks CY JUN 22-26, 2008 CL Athens, GREECE SP Natl Inst Telecommun, Athens Informat Technol, grnet, INTRACOM TELECOM, COST Act 291, IEEE LEOS AB In the present talk we discuss Our recent attempts to obtain artificial magnetic metamaterials (i.e. metamaterials of negative permeability) and left-hand-handed materials (i.e. metamaterials of both negative permeability and permittivity) in the optical regime by scaling down well established microwave metamaterial designs. We focus on designs based on pairs of slabs (giving negative permeability) and continuous wires (giving negative permittivity) and we examine the scaling behavior of those designs through examination of the magnetic and electric resonance frequencies and the permeability and pemittivity resonances. The most pronounced observed characteristics are (a) the saturation of all the characteristic frequencies of the metamaterials in the optical regime and (b) the weakening of the magnetic permeability resonance. Those results are explained taking into account the kinetic energy of the electrons in the metallic components of the metamaterials. The consideration of the kinetic energy leads also to approximate analytical formulas for the saturation values of the characteristic frequencies which are useful for the optimization of the metamaterials designs. C1 [Kafesaki, Maria; Penciu, Raluca; Economou, Eleftherios N.; Katsarakis, Nikos] Inst Elect Struct & Laser, Fdn Res & Technol Hellas, Iraklion, Greece. [Soukoulis, Costas M.; Koschny, Thomas] Lowa State Univ, Dept Phys & Astronomy, Ames Lab, FORTH IESL, Ames, IA USA. RP Kafesaki, M (reprint author), Inst Elect Struct & Laser, Fdn Res & Technol Hellas, Iraklion, Greece. EM kafesaki@iesl.forth.gr RI Economou, Eleftherios /E-6374-2010 NR 0 TC 0 Z9 0 U1 0 U2 4 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA PY 2008 BP 47 EP 47 DI 10.1109/ICTON.2008.4598586 PG 1 WC Computer Science, Hardware & Architecture; Engineering, Electrical & Electronic; Optics; Telecommunications SC Computer Science; Engineering; Optics; Telecommunications GA BIH27 UT WOS:000259480300015 ER PT S AU Kramer, B Chakraborty, S Kroposki, B AF Kramer, Bill Chakraborty, Sudipta Kroposki, Benjamin GP IEEE TI A Review of Plug-in Vehicles and Vehicle-to-Grid Capability SO IECON 2008: 34TH ANNUAL CONFERENCE OF THE IEEE INDUSTRIAL ELECTRONICS SOCIETY, VOLS 1-5, PROCEEDINGS SE IEEE Industrial Electronics Society LA English DT Proceedings Paper CT 34th Annual Conference of the IEEE-Industrial-Electronics-Society CY NOV 10-13, 2008 CL Orlando, FL SP IEEE Ind Elect Soc, Soc Instrument & Control Engineers, Auburn Univ, Univ Seville, Univ Nova Lisbon, Univ Studi Catania AB As hybrid vehicles gain popularity among the consumers, current research initiatives are focused towards developing plug-in electric and hybrid vehicles that can exploit utility power to charge vehicle batteries and therefore less dependent on the gasoline usage. Power electronic systems are being developed to allow plug-in vehicles to be vehicle-to-grid (V2G) capable where the vehicles can work as distributed resources and power can be sent back to the utility. In this paper a review of different plug-in and V2G capable vehicles are given along with their power electronics topologies. The economic implication of charging the vehicle or sending power back to the utility is described in brief. Finally, all vehicles with V2G capability must meet the IEEE Standard 1547 for connecting to the utility. Brief descriptions of the requirements and testing that must be followed for V2G vehicles to conform the IEEE 1547 standards are also discussed. C1 [Kramer, Bill; Chakraborty, Sudipta; Kroposki, Benjamin] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Kramer, B (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM Bill_Kramer@nrel.gov; Sudipta_Chakraborty@nrel.gov; Benjamin_Kroposki@nrel.gov NR 15 TC 0 Z9 0 U1 0 U2 1 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1553-572X BN 978-1-4244-1767-4 J9 IEEE IND ELEC PY 2008 BP 2205 EP 2210 PG 6 WC Computer Science, Artificial Intelligence; Computer Science, Software Engineering; Engineering, Industrial; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BJI84 UT WOS:000266229301145 ER PT S AU Palensky, P Kupzog, F Zaidi, AA Zhou, K AF Palensky, Peter Kupzog, Friederich Zaidi, Adeel Abbas Zhou, Kai GP IEEE TI Modeling domestic housing loads for demand response SO IECON 2008: 34TH ANNUAL CONFERENCE OF THE IEEE INDUSTRIAL ELECTRONICS SOCIETY, VOLS 1-5, PROCEEDINGS SE IEEE Industrial Electronics Society LA English DT Proceedings Paper CT 34th Annual Conference of the IEEE-Industrial-Electronics-Society CY NOV 10-13, 2008 CL Orlando, FL SP IEEE Ind Elect Soc, Soc Instrument & Control Engineers, Auburn Univ, Univ Seville, Univ Nova Lisbon, Univ Studi Catania AB Increasing electricity demand and upcoming shortages of resources, make on-line energy management like peak-load reduction and control energy provision by the demand side of the electric power system a valuable method for keeping the grid stable and efficient. For developing the next generation if these methods, a simulation environment for studying demand response (DR) algorithms with large-scale and detailed grid simulations is currently developed. An important part of this is an accurate but computationally inexpensive dynamic model for domestic housing and small business loads. This paper presents the design of this model and the deduction of the model parameters. As a determining factor for domestic loads, the power consumption of heating, ventilation and air conditioning (HVAC) systems has been identified. The model is partly based on earlier proposals that simulate the state changes of thermostatically controlled processes, but the complexity is further reduced to an absolute minimum. The result can be used as one of the basic building blocks required to set up a comprehensive simulation of power consumption in electric power grids under DR conditions. C1 [Palensky, Peter] Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. [Palensky, Peter] Univ Pretoria, Pretoria, South Africa. [Kupzog, Friederich; Zaidi, Adeel Abbas; Zhou, Kai] Vienna Univ Technol, Inst Comp Technol, A-1040 Vienna, Austria. RP Palensky, P (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM palensky@ieee.org; kupzog@ict.tuwien.ac.at; zaidia@ict.tuwien.ac.at; zhou@ict.tuwien.ac.at FU California Energy Commission via the LBNL Demand Response Research Center FX This work is supported by the California Energy Commission via the LBNL Demand Response Research Center. NR 10 TC 0 Z9 0 U1 0 U2 2 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1553-572X BN 978-1-4244-1767-4 J9 IEEE IND ELEC PY 2008 BP 2655 EP + PG 3 WC Computer Science, Artificial Intelligence; Computer Science, Software Engineering; Engineering, Industrial; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BJI84 UT WOS:000266229301219 ER PT S AU Wu, ZQ Su, GJ AF Wu, Zhiqiao Su, Gui-Jia GP IEEE TI High-Performance Permanent Magnet Machine Drive for Electric Vehicle Applications Using a Current Source Inverter SO IECON 2008: 34TH ANNUAL CONFERENCE OF THE IEEE INDUSTRIAL ELECTRONICS SOCIETY, VOLS 1-5, PROCEEDINGS SE IEEE Industrial Electronics Society LA English DT Proceedings Paper CT 34th Annual Conference of the IEEE-Industrial-Electronics-Society CY NOV 10-13, 2008 CL Orlando, FL SP IEEE Ind Elect Soc, Soc Instrument & Control Engineers, Auburn Univ, Univ Seville, Univ Nova Lisbon, Univ Studi Catania ID INDUCTION-MOTOR DRIVES; SYSTEM; VOLTAGE; OUTPUT AB This paper presents a high performance interior permanent magnet (IPM) machine drive using a current source inverter for EV/HEV applications. The constant power operation regions of an IPM machine can be greatly extended due to the voltage-boosting function naturally associated with the CSI and the field weakening techniques. An equivalent circuit model of the IPM machine including the effects of the ac filter capacitors and the motor core-loss resistor is presented, which eliminates the performance deregulation due to the error between the torque producing current of the IPM machine and the current command of the CSI. According to the special requirements of the automotive applications, a novel two-stage control strategy is also proposed to achieve both minimum system losses and high system performance within the whole operating range including the field-weakening region. Simulation results are presented to validate the functionality of the boost mechanism, the effectiveness of the equivalent circuit model and the proposed control scheme. C1 [Wu, Zhiqiao] Oak Ridge Associated Univ, Knoxville, TN 37932 USA. [Su, Gui-Jia] Oak Ridge Natl Lab, Knoxville, TN 37932 USA. RP Wu, ZQ (reprint author), Oak Ridge Associated Univ, Knoxville, TN 37932 USA. EM wuz2@ornl.gov; sugj@ornl.gov FU UT-Battelle; LLC with the U.S. Department of Energy [DE-AC05-00OR22725] FX This manuscript has been authored by UT-Battelle, LLC, under contract DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non- exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. NR 13 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1553-572X BN 978-1-4244-1767-4 J9 IEEE IND ELEC PY 2008 BP 2722 EP + PG 2 WC Computer Science, Artificial Intelligence; Computer Science, Software Engineering; Engineering, Industrial; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BJI84 UT WOS:000266229301230 ER PT S AU Liu, HW Tolbert, LM Ozpineci, B Du, Z AF Liu, Haiwen Tolbert, Leon M. Ozpineci, Burak Du, Zhong GP IEEE TI Comparison of Fundamental Frequency and PWM Methods Applied on a Hybrid Cascaded Multilevel Inverter SO IECON 2008: 34TH ANNUAL CONFERENCE OF THE IEEE INDUSTRIAL ELECTRONICS SOCIETY, VOLS 1-5, PROCEEDINGS SE IEEE Industrial Electronics Society LA English DT Proceedings Paper CT 34th Annual Conference of the IEEE-Industrial-Electronics-Society CY NOV 10-13, 2008 CL Orlando, FL SP IEEE Ind Elect Soc, Soc Instrument & Control Engineers, Auburn Univ, Univ Seville, Univ Nova Lisbon, Univ Studi Catania ID MODULATION INDEXES; CONVERTERS AB This paper presents a hybrid cascaded multilevel inverter for electric vehicles (EV) / hybrid electric vehicles (HEV) and utility interface applications. The inverter consists of a standard 3-leg inverter (one leg for each phase) and H-bridge in series with each inverter leg. It can use only a single DC power source to supply a standard 3-leg inverter along with three full H-bridges supplied by capacitors or batteries. Both fundamental frequency and high switching frequency PWM methods are used for the hybrid multilevel inverter. An experimental 5 kW prototype inverter is built and tested. The above two switching control methods are validated and compared experimentally. C1 [Liu, Haiwen; Tolbert, Leon M.] Univ Tennessee, Knoxville, TN 37996 USA. [Tolbert, Leon M.; Ozpineci, Burak] Oak Ridge Natl Lab, Knoxville, TN 37932 USA. [Du, Zhong] Parker Hannifin Corp, Olivet, MI 38654 USA. RP Liu, HW (reprint author), Univ Tennessee, Knoxville, TN 37996 USA. NR 19 TC 0 Z9 0 U1 0 U2 0 PU IEEE PI NEW YORK PA 345 E 47TH ST, NEW YORK, NY 10017 USA SN 1553-572X BN 978-1-4244-1767-4 J9 IEEE IND ELEC PY 2008 BP 3124 EP + PG 2 WC Computer Science, Artificial Intelligence; Computer Science, Software Engineering; Engineering, Industrial; Engineering, Electrical & Electronic SC Computer Science; Engineering GA BJI84 UT WOS:000266229302064 ER PT J AU Sweatt, WC Gill, DD Adams, DP Vasile, MJ Claudet, AA AF Sweatt, W. C. Gill, D. D. Adams, D. P. Vasile, M. J. Claudet, A. A. TI Diamond milling of micro-optics SO IEEE AEROSPACE AND ELECTRONIC SYSTEMS MAGAZINE LA English DT Article AB A diamond mill (a tiny end mill) can cut aspheric lenses and mirrors with diameters smaller than 0.5 mm. The cutting tool has a two-dimensional shape and is spun about the axis of the surface to be cut. As the spinning tool is plunged into the substrate, it cuts a radially symmetric surface to sub-micron accuracies. Commercially available circular diamond tools can be modified to aspheric shapes using a focused ion beam. Fabrication examples will be presented and the optical performance of an array of micro-lenses will be described. C1 [Sweatt, W. C.; Gill, D. D.; Adams, D. P.; Vasile, M. J.; Claudet, A. A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Sweatt, WC (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 3 TC 9 Z9 9 U1 1 U2 7 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0885-8985 J9 IEEE AERO EL SYS MAG JI IEEE Aerosp. Electron. Syst. Mag. PD JAN PY 2008 VL 23 IS 1 BP 13 EP 17 DI 10.1109/AES-M.2008.4444483 PG 5 WC Engineering, Aerospace; Engineering, Electrical & Electronic SC Engineering GA 253KV UT WOS:000252518000002 ER PT J AU Basilio, LI Williams, JT Jackson, DR Chen, RL AF Basilio, Lorena I. Williams, Jeffery T. Jackson, David R. Chen, Richard L. TI Characteristics of an inverted shorted annular-ring-reduced surface-wave antenna SO IEEE ANTENNAS AND WIRELESS PROPAGATION LETTERS LA English DT Article DE global positioning satellite (GPS); microstrip antennas; multipath interference; surface waves AB The electrical characteristics of an inverted shorted annular-ring-reduced surface-wave (RSW) antenna are presented in this letter. This microstrip antenna is designed for RSW excitation and lateral radiation and, hence, the characteristic patterns are relatively smooth in the forward region and demonstrate significantly reduced backscattered radiation, relative to a conventional microstrip patch. Results from a theoretical analysis of the antenna will be presented, along with confirming experimental results. These results include a radiation, input impedance, efficiency, bandwidth, directivity, and gain characterization of the antenna. C1 [Basilio, Lorena I.; Williams, Jeffery T.; Jackson, David R.; Chen, Richard L.] Univ Houston, Dept Elect & Comp Engn, Houston, TX 77204 USA. RP Basilio, LI (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. NR 7 TC 5 Z9 5 U1 0 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 1536-1225 J9 IEEE ANTENN WIREL PR JI IEEE Antennas Wirel. Propag. Lett. PY 2008 VL 7 BP 123 EP 126 DI 10.1109/LAWP.2008.921321 PG 4 WC Engineering, Electrical & Electronic; Telecommunications SC Engineering; Telecommunications GA 339OD UT WOS:000258586000031 ER EF