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J Yellin, SJ Young, CC Yuta, H Zapalac, G Zdarko, RW Zeitlin, C Zhou, J CA ALEPH Collaborat DELPHI Collaborat L3 Collaborat OPAL Collaborat SLD Collaborat TI Precision electroweak measurements on the Z resonance SO PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS LA English DT Review ID FORWARD-BACKWARD ASYMMETRY; FERMION-PAIR PRODUCTION; HADRONIC-Z-DECAYS; TOP-QUARK MASS; ANGLE BHABHA SCATTERING; W-BOSON MASS; CROSS-SECTION ASYMMETRY; Z-LINE-SHAPE; SEMILEPTONIC BRANCHING RATIOS; CARLO EVENT GENERATOR AB We report on the final electroweak measurements performed with data taken at the Z resonance by the experiments operating at the electron-positron colliders SLC and LEP. The data consist of 17 million Z decays accumulated by the ALEPH, DELPHI, L3 and OPAL experiments at LEP, and 600 thousand Z decays by the SLID experiment using a polarised beam at SLC. The measurements include cross-sections, forward-backward asymmetries and polarised asymmetries. The mass and width of the Z boson, m(Z) and Gamma(Z), and its couplings to fermions, for example the p parameter and the effective electroweak mixing angle for leptons, are precisely measured: m(Z) = 91.1875 +/- 0.0021 GeV, Gamma(Z) = 2.4952 +/- 0.0023 GeV, rho(l) = 1.0050 +/- 0.0010, sin(2)theta(eff)(lept) = 0.23153 +/- 0.00016. The number of light neutrino species is determined to be 2.9840 +/- 0.0082, in agreement with the three observed generations of fundamental fermions. The results are compared to the predictions of the Standard Model (SM). At the Z-pole, electroweak radiative corrections beyond the running of the QED and QCD coupling constants are observed with a significance of five standard deviations, and in agreement with the Standard Model. Of the many Z-pole measurements, the forward-backward asymmetry in b-quark production shows the largest difference with respect to its SM expectation, at the level of 2.8 standard deviations. Through radiative corrections evaluated in the framework of the Standard Model, the Z-pole data are also used to predict the mass of the top quark, m(t) = 173(+10)(+13) GeV, and the mass of the W boson, m(W) = 80.363 +/- 0.032 GeV. These indirect constraints are compared to the direct measurements, providing a stringent test of the SM. Using in addition the direct measurements of m(t) and m(W), the mass of the as yet unobserved SM Higgs boson is predicted with a relative uncertainty of about 50% and found to be less than 285 GeV at 95% confidence level. (c) 2006 Elsevier B.V. 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Tome, Bernardo/J-4410-2013; de la Cruz, Begona/K-7552-2014; Espirito Santo, Maria Catarina/L-2341-2014; Pimenta, Mario/M-1741-2013; Josa, Isabel/K-5184-2014; Fernandez, Enrique/L-5387-2014; Bosman, Martine/J-9917-2014; gandelman, miriam/N-3739-2014; Vogel, Helmut/N-8882-2014; Ferguson, Thomas/O-3444-2014; Berdugo, Javier/A-2858-2015; Grandi, Claudio/B-5654-2015; D'Alessandro, Raffaello/F-5897-2015; Achard, Pablo/C-2983-2009; Chmeissani, Mokhtar/G-4346-2015; Mir, Lluisa-Maria/G-7212-2015; Duran, Ignacio/H-7254-2015; Gil Botella, Ines/H-8991-2015; Martinez Vidal, F*/L-7563-2014; Cavalli-Sforza, Matteo/H-7102-2015; Matorras, Francisco/I-4983-2015; Sanchez, Eusebio/H-5228-2015; Ferrer, Antonio/H-2942-2015; Hansen, John/B-9058-2015; Rancoita, Pier Giorgio/J-9896-2015; Rovelli, Tiziano/K-4432-2015; Hoorani, Hafeez/D-1791-2013; Lusiani, Alberto/N-2976-2015; Hernandez-Rey, Juan Jose/N-5955-2014; Marrocchesi, Pier Simone/N-9068-2015; Sguazzoni, Giacomo/J-4620-2015; Lusiani, Alberto/A-3329-2016; Booth, Christopher/B-5263-2016; Smirnova, Oxana/A-4401-2013; Palomares, Carmen/H-7783-2015; Pacheco Pages, Andres/C-5353-2011; Della Ricca, Giuseppe/B-6826-2013; Fedin, Oleg/H-6753-2016; Olshevskiy, Alexander/I-1580-2016; Rames, Jiri/H-2450-2014; Paganoni, Marco/A-4235-2016; Roth, Stefan/J-2757-2016; Kamyshkov, Yuri/J-7999-2016; Sanchez, Federico/F-5809-2012; Di Lodovico, Francesca/L-9109-2016; Ferrante, Isidoro/F-1017-2012; Abreu, Pedro/L-2220-2014; Navas, Sergio/N-4649-2014; Barao, Fernando/O-2357-2016; Ho, Chien/O-6112-2016; zhou, hua/A-6862-2017; Calcaterra, Alessandro/P-5260-2015; Zaitsev, Alexandre/B-8989-2017; Frey, Raymond/E-2830-2016; Ligabue, Franco/F-3432-2014; Juste, Aurelio/I-2531-2015; Rizzo, Giuliana/A-8516-2015; OI Peralta, Luis/0000-0002-3834-1762; Ruiz, Alberto/0000-0002-3639-0368; Stahl, Achim/0000-0002-8369-7506; Kirkby, Jasper/0000-0003-2341-9069; Bailey, Ian/0000-0002-8020-3662; Servoli, Leonello/0000-0003-1725-9185; Shellard, Ronald/0000-0002-2983-1815; Petrolini, Alessandro/0000-0003-0222-7594; Trocsanyi, Zoltan/0000-0002-2129-1279; Ragazzi, Stefano/0000-0001-8219-2074; Doucet, Mathieu/0000-0002-5560-6478; Krammer, Manfred/0000-0003-2257-7751; Valassi, Andrea/0000-0001-9322-9565; Dracos, Marcos/0000-0003-0514-193X; Mundim, Luiz/0000-0001-9964-7805; Smith, Tim/0000-0002-1567-7116; Rolandi, Luigi (Gigi)/0000-0002-0635-274X; Schmitt, Bernd/0000-0002-5778-0680; Focardi, Ettore/0000-0002-3763-5267; spagnolo, stefania/0000-0001-7482-6348; Montanari, Alessandro/0000-0003-2748-6373; de Sangro, Riccardo/0000-0002-3808-5455; Amapane, Nicola/0000-0001-9449-2509; Andreazza, Attilio/0000-0001-5161-5759; Guida, MIchele/0000-0002-1108-5391; Verlato, Marco/0000-0003-1967-7655; Goncalves, Patricia /0000-0003-2042-3759; Boyko, Igor/0000-0002-3355-4662; Moraes, Danielle/0000-0002-5175-3200; Castro, Nuno/0000-0001-8491-4376; Jones, Roger/0000-0002-6427-3513; O'Shea, Val/0000-0001-7183-1205; Monge, Maria Roberta/0000-0003-1633-3195; Ridky, Jan/0000-0001-6697-1393; Cerrada, Marcos/0000-0003-0112-1691; Oyanguren, Arantza/0000-0002-8240-7300; Tome, Bernardo/0000-0002-7564-8392; Espirito Santo, Maria Catarina/0000-0003-1286-7288; Pimenta, Mario/0000-0002-2590-0908; Fernandez, Enrique/0000-0002-6405-9488; Bosman, Martine/0000-0002-7290-643X; Vogel, Helmut/0000-0002-6109-3023; Ferguson, Thomas/0000-0001-5822-3731; Berdugo, Javier/0000-0002-7911-8532; Grandi, Claudio/0000-0001-5998-3070; D'Alessandro, Raffaello/0000-0001-7997-0306; Achard, Pablo/0000-0002-4865-3196; Chmeissani, Mokhtar/0000-0002-2287-4791; Mir, Lluisa-Maria/0000-0002-4276-715X; Martinez Vidal, F*/0000-0001-6841-6035; Matorras, Francisco/0000-0003-4295-5668; Sanchez, Eusebio/0000-0002-9646-8198; Ferrer, Antonio/0000-0003-0532-711X; Hansen, John/0000-0002-8422-5543; Rancoita, Pier Giorgio/0000-0002-1990-4283; Rovelli, Tiziano/0000-0002-9746-4842; Lusiani, Alberto/0000-0002-6876-3288; Hernandez-Rey, Juan Jose/0000-0002-1527-7200; Marrocchesi, Pier Simone/0000-0003-1966-140X; Sguazzoni, Giacomo/0000-0002-0791-3350; Lusiani, Alberto/0000-0002-6876-3288; Booth, Christopher/0000-0002-6051-2847; Smirnova, Oxana/0000-0003-2517-531X; Palomares, Carmen/0000-0003-4374-9065; Pacheco Pages, Andres/0000-0001-8210-1734; Della Ricca, Giuseppe/0000-0003-2831-6982; Olshevskiy, Alexander/0000-0002-8902-1793; Paganoni, Marco/0000-0003-2461-275X; Roth, Stefan/0000-0003-3616-2223; Kamyshkov, Yuri/0000-0002-3789-7152; Sanchez, Federico/0000-0003-0320-3623; Di Lodovico, Francesca/0000-0003-3952-2175; Ferrante, Isidoro/0000-0002-0083-7228; Abreu, Pedro/0000-0002-9973-7314; Navas, Sergio/0000-0003-1688-5758; Barao, Fernando/0000-0002-8346-9941; Ho, Chien/0000-0002-4094-9232; Calcaterra, Alessandro/0000-0003-2670-4826; Zaitsev, Alexandre/0000-0002-4961-8368; Frey, Raymond/0000-0003-0341-2636; Kasemann, Matthias/0000-0002-0429-2448; pieroni, enrico/0000-0002-4246-6963; Matteuzzi, Clara/0000-0002-4047-4521; Bean, Alice/0000-0001-5967-8674; Wyss, Jeffery/0000-0002-8277-4012; Ligabue, Franco/0000-0002-1549-7107; Awunor, Onuora/0000-0002-2636-9709; Boccali, Tommaso/0000-0002-9930-9299; Abbiendi, Giovanni/0000-0003-4499-7562; Demaria, Natale/0000-0003-0743-9465; Longo, Egidio/0000-0001-6238-6787; Ambrosi, Giovanni/0000-0001-6977-9559; Sannino, Mario/0000-0001-7700-8383; Bettarini, Stefano/0000-0001-7742-2998; Anjos, Nuno/0000-0002-0018-0633; Juste, Aurelio/0000-0002-1558-3291; Bloch-Devaux, Brigitte/0000-0002-2463-1232; de Jong, Sijbrand/0000-0002-3120-3367; Buesser, Karsten/0000-0002-3700-4705; Diemoz, Marcella/0000-0002-3810-8530; Tricomi, Alessia Rita/0000-0002-5071-5501; Doria, Alessandra/0000-0002-5381-2649; RASO, Giuseppe/0000-0002-5660-3711; Duperrin, Arnaud/0000-0002-5789-9825; Veloso, Filipe/0000-0002-5956-4244; Andringa, Sofia/0000-0002-6397-9207; DE MIN, ALBERTO/0000-0002-8130-9389; Rizzo, Giuliana/0000-0003-1788-2866; Ciulli, Vitaliano/0000-0003-1947-3396; Evans, Harold/0000-0003-2183-3127; Beuselinck, Raymond/0000-0003-2613-7446; Gregorio, Anna/0000-0003-4028-8785; Seywerd, Henry/0000-0003-4876-730X; Lanceri, Livio/0000-0001-8220-3095; Uliyanov, Alexey/0000-0001-6935-8949; Maio, Amelia/0000-0001-9099-0009; Castellini, Guido/0000-0002-0177-0643; De Angelis, Alessandro/0000-0002-3288-2517; Watson, Nigel/0000-0002-8142-4678; Sciacca, Crisostomo/0000-0002-8412-4072; Lafferty, George/0000-0003-0658-4919; Faccini, Riccardo/0000-0003-2613-5141; De Lotto, Barbara/0000-0003-3624-4480; Della Volpe, Domenico/0000-0001-8530-7447; Cranmer, Kyle/0000-0002-5769-7094; Wilson, Robert/0000-0002-8184-4103; Garrido Beltran, Lluis/0000-0001-8883-6539; Bertucci, Bruna/0000-0001-7584-293X; Tabarelli de Fatis, Tommaso/0000-0001-6262-4685; Barlow, Roger/0000-0002-8295-8612; Verdier, Patrice/0000-0003-3090-2948; Filthaut, Frank/0000-0003-3338-2247; Osterberg, Kenneth/0000-0003-4807-0414; Liu, Ming/0000-0002-5992-1221; Paoloni, Alessandro/0000-0002-4141-7799 NR 399 TC 665 Z9 667 U1 35 U2 253 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-1573 EI 1873-6270 J9 PHYS REP JI Phys. Rep.-Rev. Sec. Phys. Lett. PD MAY PY 2006 VL 427 IS 5-6 BP 257 EP 454 DI 10.1016/j.physrep.2005.12.006 PG 198 WC Physics, Multidisciplinary SC Physics GA 032ZH UT WOS:000236815000001 ER PT J AU Mason, TE AF Mason, TE TI Pulsed neutron scattering for the 21st century SO PHYSICS TODAY LA English DT Article AB The large neutron fluxes produced in next-generation spallation facilities are likely to soon find expanded application in fields as diverse as biology, polymers, complex fluids, and geophysics. C1 Univ Tennessee, Oak Ridge Natl Lab, Spallat Neutron Source, Knoxville, TN 37996 USA. RP Mason, TE (reprint author), Univ Tennessee, Oak Ridge Natl Lab, Spallat Neutron Source, Knoxville, TN 37996 USA. RI Mason, Thomas/M-5809-2014 OI Mason, Thomas/0000-0003-1880-3971 NR 7 TC 13 Z9 13 U1 1 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0031-9228 J9 PHYS TODAY JI Phys. Today PD MAY PY 2006 VL 59 IS 5 BP 44 EP 49 DI 10.1063/1.2216961 PG 6 WC Physics, Multidisciplinary SC Physics GA 038XZ UT WOS:000237264200019 ER PT J AU Erpenbeek, JJ Johnson, JD AF Erpenbeek, JJ Johnson, JD TI William Wayne Wood - Obituary SO PHYSICS TODAY LA English DT Biographical-Item C1 Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Erpenbeek, JJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. EM iie@lanl.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0031-9228 J9 PHYS TODAY JI Phys. Today PD MAY PY 2006 VL 59 IS 5 BP 73 EP + DI 10.1063/1.2216975 PG 2 WC Physics, Multidisciplinary SC Physics GA 038XZ UT WOS:000237264200023 ER PT J AU Crease, RP AF Crease, RP TI Critical Point Top papers SO PHYSICS WORLD LA English DT Editorial Material C1 SUNY Stony Brook, Dept Philosophy, Stony Brook, NY 11794 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. RP Crease, RP (reprint author), SUNY Stony Brook, Dept Philosophy, Stony Brook, NY 11794 USA. EM rcrease@notes.cc.sunysb.edu NR 0 TC 0 Z9 0 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0953-8585 J9 PHYS WORLD JI Phys. World PD MAY PY 2006 VL 19 IS 5 BP 14 EP 14 PG 1 WC Physics, Multidisciplinary SC Physics GA 046WD UT WOS:000237840900022 ER PT J AU Brock, E Hixson, C Guilderson, T Murr, P Rowe, MW AF Brock, Emily Hixson, Charles Guilderson, Tom Murr, Priscilla Rowe, Marvin W. TI Rock painting depicting re-incursion of bison onto the South Texas plains: Painted Indian Cave, Pedernales River, Blanco County, Texas SO PLAINS ANTHROPOLOGIST LA English DT Article DE rock painting; plasma-chemical extraction; radiocarbon dating; Late Prehistoric bison; central Texas Plains ID PICTOGRAPHS; REGION; CRUST; DATES; C-14; AGE AB We extracted carbon from a sample removed from a small, non-descript, solid monochrome pictograph at Painted Indian Cave site on the Pedernales River Blanco County, Texas (41BC1). It contains red iron oxide pigment and is approximately 10-20 cm in size. The sample was taken with a surgical scalpel with a new blade. Plasma-chemistry was utilized to extract the organic carbon, without getting contamination from inorganic carbon-bearing minerals, calcite and calcium oxalate. Because the background of organic carbon in nearby unpainted rock (limestone) was negligible, the age should be reliable. Further it is supported by archaeological inference. However as always with only a single radiocarbon date, especially with minimal carbon extracted, caution is advised pending further study. Radiocarbon analysis at the Center for Accelerator Mass Spectrometry of the Lawrence Livermore National Laboratory indicated an age of 770 +/- 50 years BP The age is consistent with the image of a bison within the small cave. The depiction of the bison probably corresponds with the earliest Late Prehistoric sightings of bison as they re-entered the south Plains of Texas in larger numbers. C1 Texas A&M Univ, Dept Chem, College Stn, TX 77842 USA. Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA. RP Brock, E (reprint author), 8820 Southwestern Blvd 1120, Dallas, TX 75206 USA. EM emily_brock@hotmail.com; chixson@tstar.net; tguilderson@llnl.gov; prsmurr@aol.com; rowe@mail.chem.tamu.edu NR 43 TC 1 Z9 1 U1 0 U2 1 PU PLAINS ANTHROPOLOGICAL SOC PI LINCOLN PA 3201 SOUTH STREET, PO BOX 152, LINCOLN, NE 68506-3266 USA SN 0032-0447 J9 PLAINS ANTHROPOL JI Plains Anthropol. PD MAY PY 2006 VL 51 IS 198 BP 199 EP 205 PG 7 WC Anthropology SC Anthropology GA 091YQ UT WOS:000241064600005 ER PT J AU Battaglia, LL Collins, BS AF Battaglia, L. L. Collins, B. S. TI Linking hydroperiod and vegetation response in Carolina bay wetlands SO PLANT ECOLOGY LA English DT Article DE Carolina bay; depressional wetland; gradient; plant community; vegetation; zonation ID UPPER COASTAL-PLAIN; SOUTH-CAROLINA; MULTIVARIATE-ANALYSIS; DEPRESSION WETLANDS; COMMUNITY STRUCTURE; REDUNDANCY ANALYSIS; SEED BANKS; DISTANCE; SOUTHEASTERN; DIVERSITY AB Hydrology filters propagule bank expression in herbaceous Carolina bays, but the strength of this filter's effects on community composition at different points along the hydrologic gradient of these southeastern U.S. depressional wetlands is unknown. We used an experimental approach to determine the pattern of vegetation expression from propagule banks of Carolina bays exposed to different hydrologic conditions and gradients. Propagule banks of sediment cores collected from six Carolina bays were placed in bins, each of which was allocated to one of three hydrologic treatments: moist soil (MS), mid-summer drawdown (DD), or flooded (FL). After one season of vegetation development (1995) in the hydrologic treatments, half of the bins were left flat and the remaining were sloped to produce a finer moisture gradient within each bin. We compared taxa richness, community composition based on cover, and cover patterns of eight abundant species that developed in bins over the season (1996) after sloping. Species richness was significantly higher in the moist soil treatment and in sloped bins. Community composition, however, was affected by the hydrologic treatment only and not the finer-scale flooding gradient produced by sloping. Under flooded conditions, floating-leaved and submerged aquatics had higher cover; vegetation converged on simpler, less variable communities dominated by obligate wetland species, with species exhibiting different patterns of abundance over small changes in water depth. Emergent species typically had higher cover in moist soil and drawdown treatments. These results confirm a tight mechanistic link between hydrology and vegetation patterns within Carolina bays, but suggest that the strength of this link is not uniform across the gradient. The linkage weakens with drier conditions as both facultative wetland and upland species recruit into the standing vegetation. C1 So Illinois Univ, Dept Plant Biol, Carbondale, IL 62901 USA. Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. RP Battaglia, LL (reprint author), So Illinois Univ, Dept Plant Biol, Mailcode 6509, Carbondale, IL 62901 USA. EM lbattaglia@plant.siu.edu NR 44 TC 17 Z9 27 U1 5 U2 40 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1385-0237 J9 PLANT ECOL JI Plant Ecol. PD MAY PY 2006 VL 184 IS 1 BP 173 EP 185 DI 10.1007/s11258-005-9062-7 PG 13 WC Plant Sciences; Ecology; Forestry SC Plant Sciences; Environmental Sciences & Ecology; Forestry GA 051CU UT WOS:000238139000015 ER PT J AU Casper, TA Burrell, KH Doyle, EJ Gohil, P Lasnier, CJ Leonard, AW Moller, JM Osborne, TH Snyder, PB Thomas, DM Weiland, J West, WP AF Casper, TA Burrell, KH Doyle, EJ Gohil, P Lasnier, CJ Leonard, AW Moller, JM Osborne, TH Snyder, PB Thomas, DM Weiland, J West, WP TI Density and temperature profile modifications with electron cyclotron power injection in quiescent double barrier discharges on DIII-D SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article; Proceedings Paper CT 10th IAEA Technical Meeting hon H-Mode Physics and Transport Barriers CY SEP 28-30, 2005 CL St Petersburg, RUSSIA SP Russian Acad Sci, Ioffe Phys Tech Inst, IAEA ID ASDEX UPGRADE; TRANSPORT; REGIME; ION AB Quiescent double barrier (QDB) conditions often form when an internal transport barrier is created with high-power neutral-beam injection into a quiescent H-mode (QH) plasma. These QH-modes offer an attractive, high-performance operating scenario for burning plasma experiments due to their quasi-stationarity and lack of edge localized modes. Our initial experiments and modelling using ECH/ECCD in QDB shots were designed to control the current profile and, indeed, we have observed a strong dependence on the q-profile when EC-power is used inside the core transport barrier region. While strong electron heating is observed with EC power injection, we also observe a drop in the other core parameters, namely ion temperature and rotation, electron density and impurity concentration. At onset and termination of the EC pulse, dynamically changing conditions are induced that provide a rapid evolution of T-e/T-i profiles accessible with 0.3 < (T-e/T-i)(axis) < 0.8 observed in QDB discharges. We are exploring the correlation and effects of observed density profile changes with respect to these time-dependent variations in the temperature ratio. Increases in the measured ion thermal and particle diffusivities inside the barrier region during an ECH pulse correlate with electron heating and a rise in the core T-e/T-i ratio as the ion temperature and density profiles flatten with this change in transport. The change in transport is consistent with a destabilization of ITG turbulence as inferred from the reduction of the stability threshold due to the change in T-e/T-i. C1 Lawrence Livermore Natl Lab, Livermore, CA USA. Gen Atom Co, San Diego, CA 92186 USA. Univ Calif Los Angeles, Dept Elect Engn, Los Angeles, CA USA. Chalmers Univ Technol, Dept Elect Engn, S-41296 Gothenburg, Sweden. EURATOM VR Assoc, Gothenburg, Sweden. RP Casper, TA (reprint author), Lawrence Livermore Natl Lab, Livermore, CA USA. NR 20 TC 5 Z9 5 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD MAY PY 2006 VL 48 SU 5A SI SI BP A35 EP A43 DI 10.1088/0741-3335/48/5/A/S02 PG 9 WC Physics, Fluids & Plasmas SC Physics GA 054QJ UT WOS:000238393400003 ER PT J AU Gohil, P Evans, TE Ferron, JR Moyer, RA Petty, CC Burrell, KH Casper, TA Garofalo, AM Hyatt, AW Jayakumar, RJ Kessel, C Kim, JY La Haye, RJ Lohr, J Luce, TC Makowski, MA Mazon, D Menard, J Murakami, M Politzer, PA Prater, R Wade, MR AF Gohil, P Evans, TE Ferron, JR Moyer, RA Petty, CC Burrell, KH Casper, TA Garofalo, AM Hyatt, AW Jayakumar, RJ Kessel, C Kim, JY La Haye, RJ Lohr, J Luce, TC Makowski, MA Mazon, D Menard, J Murakami, M Politzer, PA Prater, R Wade, MR TI Control of plasma profiles in DIII-D discharges SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article; Proceedings Paper CT 10th IAEA Technical Meeting hon H-Mode Physics and Transport Barriers CY SEP 28-30, 2005 CL St Petersburg, RUSSIA SP Russian Acad Sci, Ioffe Phys Tech Inst, IAEA ID TOKAMAK; MODES AB Active control of plasma profiles is an essential requirement for operating within plasma stability limits, for steady-state operation and for optimization of the plasma performance. In DIII-D, plasma profiles have been actively controlled using various actuators in the following manner: (a) real time closed loop control of the q profile evolution using electron cyclotron heating and neutral beam injection as actuators; (b) active control of the density and pressure profiles in quiescent H-mode and quiescent double barrier plasmas using electron cyclotron current drive (ECCD) and pellet injection; (c) active control of the edge profiles to suppress edge localized modes using resonant magnetic perturbation with toroidal mode number n = 3, (d) real time control of the current density profile to suppress neoclassical tearing modes using localized deposition of co-ECCD. C1 Gen Atom Co, San Diego, CA 92186 USA. Univ Calif San Diego, San Diego, CA 92103 USA. Lawrence Livermore Natl Lab, Livermore, CA USA. Columbia Univ, New York, NY USA. Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. Korea Basic Sci Inst, Taejon, South Korea. CEA Cadarache, EURATOM Assoc, St Paul Les Durance, France. Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Gohil, P (reprint author), Gen Atom Co, POB 85608, San Diego, CA 92186 USA. OI Menard, Jonathan/0000-0003-1292-3286 NR 10 TC 13 Z9 13 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD MAY PY 2006 VL 48 SU 5A SI SI BP A45 EP A53 DI 10.1088/0741-3335/48/5A/S03 PG 9 WC Physics, Fluids & Plasmas SC Physics GA 054QJ UT WOS:000238393400004 ER PT J AU Groebner, RJ Leonard, AW Luce, TC Fenstermacher, ME Jackson, GL Osborne, TH Thomas, DM Wade, MR AF Groebner, RJ Leonard, AW Luce, TC Fenstermacher, ME Jackson, GL Osborne, TH Thomas, DM Wade, MR TI Comparison of H-mode pedestals in different confinement regimes in DIII-D SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article; Proceedings Paper CT 10th IAEA Technical Meeting hon H-Mode Physics and Transport Barriers CY SEP 28-30, 2005 CL St Petersburg, RUSSIA SP Russian Acad Sci, Ioffe Phys Tech Inst, IAEA ID ASDEX UPGRADE; ENERGY CONFINEMENT; D TOKAMAK; DISCHARGES; PROJECTIONS; OPERATION; TRANSPORT; SCALINGS; SCENARIO; PLASMAS AB A survey of global performance parameters and their correlation with pedestal parameters is performed for standard H-mode, QH-mode and the enhanced confinement regimes of VH-mode, hybrid and advanced tokamak in the DIII-D tokamak. This study shows that there is a trend for global confinement quality or global beta to increase as the pedestal electron pressure or beta increases. However, there are also improvements in core confinement and beta, observed at fixed pedestal pressure or beta, which indicate that factors other than pedestal parameters also contribute to the best core performance. Several other pedestal structure parameters are found to be similar among these regimes. The scale lengths for electron pressure in the pedestal are in the range 0.8-1.6 cm at the outer midplane, most 77, values are in the range 1-3 in the middle of the T-e pedestal and the T-e and n(e) pedestals tend to penetrate the same distance into the plasma. C1 Gen Atom Co, San Diego, CA 92186 USA. Lawrence Livermore Natl Lab, Livermore, CA USA. RP Groebner, RJ (reprint author), Gen Atom Co, POB 85608, San Diego, CA 92186 USA. NR 27 TC 8 Z9 8 U1 0 U2 0 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD MAY PY 2006 VL 48 SU 5A SI SI BP A109 EP A119 DI 10.1088/0741-3335/48/5A/S10 PG 11 WC Physics, Fluids & Plasmas SC Physics GA 054QJ UT WOS:000238393400011 ER PT J AU Kaye, SM Valovic, M Chudnovskiy, A Cordey, JG McDonald, D Meakins, A Thomsen, K Akers, R Bracco, G Brickley, C Bush, C Cote, A DeBoo, JC Greenwald, M Hoang, GT Hogweij, D Imbeaux, F Kamada, Y Kardaun, OJWF Kus, A Lebedev, S Leonov, V Lynch, S Martin, Y Miura, Y Ongena, J Pacher, G Petty, CC Romanelli, M Ryter, F Shinohara, K Snipes, J Stober, J Takizuka, T Tsuzuki, K Urano, H AF Kaye, SM Valovic, M Chudnovskiy, A Cordey, JG McDonald, D Meakins, A Thomsen, K Akers, R Bracco, G Brickley, C Bush, C Cote, A DeBoo, JC Greenwald, M Hoang, GT Hogweij, D Imbeaux, F Kamada, Y Kardaun, OJWF Kus, A Lebedev, S Leonov, V Lynch, S Martin, Y Miura, Y Ongena, J Pacher, G Petty, CC Romanelli, M Ryter, F Shinohara, K Snipes, J Stober, J Takizuka, T Tsuzuki, K Urano, H TI The role of aspect ratio and beta in H-mode confinement scalings SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article; Proceedings Paper CT 10th IAEA Technical Meeting hon H-Mode Physics and Transport Barriers CY SEP 28-30, 2005 CL St Petersburg, RUSSIA SP Russian Acad Sci, Ioffe Phys Tech Inst, IAEA ID ENERGY CONFINEMENT; TIME AB The addition of high power, low aspect ratio data from the NSTX and MAST experiments has motivated a new investigation of the effect of aspect ratio on confinement scaling. Various statistical methods, including those that incorporate estimates of measurement error, have been applied to datasets constrained by the standard set of criteria in addition to the range of kappa and M-eff appropriate to ITER operation. Development of scalings using engineering parameters as predictor variables results in epsilon-scaling coefficients that range from 0.38 to 1.29; the transformation of these scalings to physics variables results in an unfavourable dependence of beta tau on beta, but a favourable dependence on epsilon. Because the low aspect ratio devices operate at low B-T and therefore high beta(T), a strong correlation exists between epsilon and beta, and this makes scalings based on physics variables imprecise. C1 Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. IV Kurchatov Atom Energy Inst, Nucl Fus Inst, Russian Res Ctr, Moscow 123182, Russia. EFDA, Garching, Germany. ENEA, Assoc Euratom Fus, Frascati, Italy. Oak Ridge Natl Lab, Oak Ridge, TN USA. Ctr Canadien Fus Magnet, Varennes, PQ J3X 1S1, Canada. Gen Atom Co, San Diego, CA USA. MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. CEA, EURATOM Assoc, St Paul Les Durance, France. FOM, Inst Plasmafis, Rijnhuizen, Nieuwegein, Netherlands. Japan Atom Energy Res Inst, Naka Fus Res Estab, Naka, Ibaraki 31101, Japan. Max Planck Inst Plasma Phys, Garching, Germany. Russian Acad Sci, AF Ioffe Phys Tech Inst, St Petersburg 196140, Russia. Princeton Univ, Dept Sociol, Princeton, NJ 08544 USA. EPFL, CEPP, EURATOM Assoc, CH-1015 Lausanne, Switzerland. Assoc EURATOM Belgium State, LPP, ERM, KMS, Brussels, Belgium. RP Kaye, SM (reprint author), Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM skaye@pppl.gov RI Imbeaux, Frederic/A-7614-2013; lebedev, sergei/K-2379-2013; OI Greenwald, Martin/0000-0002-4438-729X NR 14 TC 12 Z9 12 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD MAY PY 2006 VL 48 SU 5A SI SI BP A429 EP A438 DI 10.1088/0741-3335/48/5A/S44 PG 10 WC Physics, Fluids & Plasmas SC Physics GA 054QJ UT WOS:000238393400045 ER PT J AU Oyama, N Gohil, P D Horton, L Hubbard, AE Hughes, JW Kamada, Y Kamiya, K Leonard, AW Loarte, A Maingi, R Saibene, G Sartori, R Stober, JK Suttrop, W Urano, H West, WP AF Oyama, N. Gohil, P. D Horton, L. Hubbard, A. E. Hughes, J. W. Kamada, Y. Kamiya, K. Leonard, A. W. Loarte, A. Maingi, R. Saibene, G. Sartori, R. Stober, J. K. Suttrop, W. Urano, H. West, W. P. CA ITPA Pedestal Topical Grp TI Pedestal conditions for small ELM regimes in tokamaks SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article; Proceedings Paper CT 10th IAEA Technical Meeting on H-Mode Physics and Transport Barriers CY SEP 28-30, 2005 CL St Petersburg, RUSSIA SP Russian Acad Sci, Ioffe Phys Tech Inst, IAEA ID ALCATOR-C-MOD; DIII-D TOKAMAK; H-MODE; ASDEX UPGRADE; CONFINEMENT-MODE; TRANSPORT BARRIERS; STABILITY ANALYSIS; PLASMA ROTATION; EDGE STABILITY; MHD STABILITY AB Several small/no ELM regimes such as EDA, grassy ELM, HRS, QH-mode, type II and V ELMs with good confinement properties have been obtained in Alcator C-Mod, ASDEX-Upgrade, DIII-D, JET, JFT-2M, JT-60U and NSTX. All these regimes show considerable reduction of instantaneous ELM heat load onto divertor target plates in contrast to conventional type I ELM, and ELM energy losses are evaluated as less than 5% of the pedestal stored energy. These small/no ELM regimes are summarized and widely categorized by their pedestal conditions in terms of the operational space in non-dimensional pedestal parameters and requirement of plasma shape/configuration. The characteristics of edge fluctuations and activities of ideal MHD stability leading to small/no ELMs are also summarized. C1 JAEA Naka, Naka, Ibaraki 3110193, Japan. Gen Atom Co, San Diego, CA 92186 USA. EURATOM, Max Planck Inst Plasmaphys, D-85748 Garching, Germany. MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. EFDA Close Support Unit Garching, Garching, Germany. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Oyama, N (reprint author), JAEA Naka, 801-1 Muko Yama, Naka, Ibaraki 3110193, Japan. EM oyama.naoyuki@jaea.go.jp NR 40 TC 50 Z9 50 U1 4 U2 13 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD MAY PY 2006 VL 48 SU 5A SI SI BP A171 EP A181 DI 10.1088/0741-3335/48/5A/S16 PG 11 WC Physics, Fluids & Plasmas SC Physics GA 054QJ UT WOS:000238393400017 ER PT J AU Yagi, M Ueda, T Itoh, SI Azumi, M Itoh, K Diamond, PH Hahm, TS AF Yagi, M Ueda, T Itoh, SI Azumi, M Itoh, K Diamond, PH Hahm, TS TI Turbulence spreading in reversed shear plasmas SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article; Proceedings Paper CT 10th IAEA Technical Meeting hon H-Mode Physics and Transport Barriers CY SEP 28-30, 2005 CL St Petersburg, RUSSIA SP Russian Acad Sci, Ioffe Phys Tech Inst, IAEA ID GRADIENT-DRIVEN TURBULENCE; TRANSPORT; SIMULATIONS; EQUATIONS; DYNAMICS; TOKAMAKS; GEOMETRY AB Turbulence spreading in reversed shear plasmas is investigated using a simple, multi-fluid model of ITG turbulence in toroidal geometry. The temperature profile modification is accompanied by avalanche processes. In addition, it is found that the turbulence spreads inwards and outwards, owing to the nonlinear interactions of turbulence. Analysis of the simulation results indicates that the spatio-temporal propagation of the turbulence front is quantitatively consistent with the scaling of speed predicted by the Fisher front theory. C1 Kyushu Univ, Appl Mech Res Inst, Fukuoka 812, Japan. Kyushu Univ, Interdisciplinary Grad Sch Engn Sci, Fukuoka 812, Japan. Univ Calif San Diego, La Jolla, CA 92093 USA. Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08544 USA. RP Yagi, M (reprint author), Kyushu Univ, Appl Mech Res Inst, Fukuoka 812, Japan. RI Kyushu, RIAM/F-4018-2015; U-ID, Kyushu/C-5291-2016 NR 20 TC 23 Z9 23 U1 1 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD MAY PY 2006 VL 48 SU 5A SI SI BP A409 EP A418 DI 10.1088/0741-3335/48/5A/S42 PG 10 WC Physics, Fluids & Plasmas SC Physics GA 054QJ UT WOS:000238393400043 ER PT J AU Siddaramappa, S Duncan, AJ Brettin, T Inzana, TJ AF Siddaramappa, S Duncan, AJ Brettin, T Inzana, TJ TI Comparative analyses of two cryptic plasmids from Haemophilus somnus (Histophilus somni) SO PLASMID LA English DT Article DE Haemophilus; Histophilus; genome; plasmids; RepA; RepB ID HEMOPHILUS-SOMNUS; BACTERIAL PLASMIDS; REPLICATION; OVIS; SUSCEPTIBILITY; SEQUENCE; STRAINS; CATTLE; AGNI AB Haemophihis somnus is an opportunistic bacterial pathogen capable of causing pneumonia, septicemia, and other systemic infections in bovines. An H. somnus isolate from bovine abortion (strain 649) was found to carry a similar to 1.3 kb plasmid (pHS649) that contained partial homology to two previously sequenced Haemophilus/Histophilus plasmids by BLAST analyses. Sequence analysis of pHS649 identified a putative RepA protein with 48% similarity to the RepA protein of Escherichia coli plasmid pKL1. A similar to 5 kb plasmid (pHs129) from H. somnus preputial isolate 129Pt was also sequenced and found to encode two copies of a putative RepB protein. Whereas pHS649 stably replicated in E coli DH5 alpha, pHS129 did not. Genetic relatedness and possible replication mechanisms of these plasmids are described. Published by Elsevier Inc. C1 Virginia Polytech Inst & State Univ, Ctr Mol Med & Infect Dis, Virginia Maryland Reg Coll Vet Med, Blacksburg, VA 24061 USA. Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. RP Inzana, TJ (reprint author), Virginia Polytech Inst & State Univ, Ctr Mol Med & Infect Dis, Virginia Maryland Reg Coll Vet Med, Blacksburg, VA 24061 USA. EM tinzana@vt.edu NR 25 TC 5 Z9 6 U1 1 U2 1 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0147-619X J9 PLASMID JI Plasmid PD MAY PY 2006 VL 55 IS 3 BP 227 EP 234 DI 10.1016/j.plasmid.2005.11.004 PG 8 WC Genetics & Heredity; Microbiology SC Genetics & Heredity; Microbiology GA 040EA UT WOS:000237360600007 PM 16443273 ER PT J AU Levinson, NM Kuchment, O Shen, K Young, MA Koldobskiy, M Karplus, M Cole, PA Kuriyan, J AF Levinson, Nicholas M. Kuchment, Olga Shen, Kui Young, Matthew A. Koldobskiy, Michael Karplus, Martin Cole, Philip A. Kuriyan, John TI A Src-like inactive conformation in the Abl tyrosine kinase domain SO PLOS BIOLOGY LA English DT Article ID BCR-ABL; CRYSTAL-STRUCTURE; STRUCTURAL BASIS; MOLECULAR-DYNAMICS; C-ABL; PROTEIN-KINASE; STI-571 INHIBITION; IMATINIB MESYLATE; INSULIN-RECEPTOR; BINDING-SITE AB The improper activation of the AbI tyrosine kinase results in chronic myeloid leukemia (CML). The recognition of an inactive conformation of AbI, in which a catalytically important Asp-Phe-Gly (DFG) motif is flipped by approximately 180 degrees with respect to the active conformation, underlies the specificity of the cancer drug imatinib, which is used to treat CML. The DFG motif is not flipped in crystal structures of inactive forms of the closely related Src kinases, and imatinib does not inhibit c-Src. We present a structure of the kinase domain of AbI, determined in complex with an ATP-pepticle conjugate, in which the protein adopts an inactive conformation that resembles closely that of the Src kinases. An interesting aspect of the Src-like inactive structure, suggested by molecular dynamics simulations and additional crystal structures, is the presence of features that might facilitate the flip of the DFG motif by providing room for the phenylalanine to move and by coordinating the aspartate side chain as it leaves the active site. One class of mutations in BCR-AbI that confers resistance to imatinib appears more likely to destabilize the inactive Src-like conformation than the active or imatinib-bound conformations. Our results suggest that interconversion between distinctly different inactive conformations is a characteristic feature of the AbI kinase domain. C1 Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. Johns Hopkins Univ, Sch Med, Dept Pharmacol, Baltimore, MD 21205 USA. Harvard Univ, Dept Chem & Chem Biol, Cambridge, MA USA. Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA USA. RP Kuriyan, J (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, 229 Stanley Hall, Berkeley, CA 94720 USA. EM kuriyan@berkeley.edu RI Young, Matthew/D-2033-2011 OI Young, Matthew/0000-0003-2921-3432 NR 72 TC 180 Z9 183 U1 1 U2 22 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 185 BERRY ST, STE 1300, SAN FRANCISCO, CA 94107 USA SN 1544-9173 J9 PLOS BIOL JI PLoS. Biol. PD MAY PY 2006 VL 4 IS 5 BP 753 EP 767 AR e144 DI 10.1371/journal.pbio.0040144 PG 15 WC Biochemistry & Molecular Biology; Biology SC Biochemistry & Molecular Biology; Life Sciences & Biomedicine - Other Topics GA 048SN UT WOS:000237966900012 PM 16640460 ER PT J AU Lawler, JV Endy, TP Hensley, LE Garrison, A Fritz, EA Lesar, M Baric, RS Kulesh, DA Norwood, DA Wasieloski, LP Ulrich, MP Slezak, TR Vitalis, E Huggins, JW Jahrling, PB Paragas, J AF Lawler, James V. Endy, Timothy P. Hensley, Lisa E. Garrison, Aura Fritz, Elizabeth A. Lesar, May Baric, Ralph S. Kulesh, David A. Norwood, David A. Wasieloski, Leonard P. Ulrich, Melanie P. Slezak, Tom R. Vitalis, Elizabeth Huggins, John W. Jahrling, Peter B. Paragas, Jason TI Cynomolgus macaque as an animal model for severe acute respiratory syndrome SO PLOS MEDICINE LA English DT Article ID SARS CORONAVIRUS INFECTION; LYMPHOCYTE SUBSETS; CHEST RADIOGRAPHS; AFRICAN-GREEN; SPIKE PROTEIN; CHILDREN; VIRUS; SINGAPORE; TORONTO; FERRETS AB Background The emergence of severe acute respiratory syndrome (SARS) in 2002 and 2003 affected global health and caused major economic disruption. Adequate animal models are required to study the underlying pathogenesis of SARS-associated coronavirus (SARS-CoV) infection and to develop effective vaccines and therapeutics. We report the first findings of measurable clinical disease in nonhuman primates (NHPs) infected with SARS-CoV. Methods and Findings In order to characterize clinically relevant parameters of SARS-CoV infection in NHPs, we infected cynomolgus macaques with SARS-CoV in three groups: Group I was infected in the nares and bronchus, group II in the nares and conjunctiva, and group III intravenously. Nonhuman primates in groups I and II developed mild to moderate symptomatic illness. All NHPs demonstrated evidence of viral replication and developed neutralizing antibodies. Chest radiographs from several animals in groups I and II revealed unifocal or multifocal pneumonia that peaked between days 8 and 10 postinfection. Clinical laboratory tests were not significantly changed. Overall, inoculation by a mucosal route produced more prominent disease than did intravenous inoculation. Half of the group I animals were infected with a recombinant infectious clone SARS-CoV derived from the SARS-CoV Urbani strain. This infectious clone produced disease indistinguishable from wild-type Urbani strain. Conclusions SARS-CoV infection of cynomolgus macaques did not reproduce the severe illness seen in the majority of adult human cases of SARS; however, our results suggest similarities to the milder syndrome of SARS-CoV infection characteristically seen in young children. C1 USA, Med Res Inst Infect Dis, Div Virol, Ft Detrick, MD USA. Natl Naval Med Ctr, Dept Infect Dis, Bethesda, MD USA. Natl Naval Med Ctr, Div Radiol, Bethesda, MD USA. Univ N Carolina, Dept Epidemiol, Chapel Hill, NC USA. USA, Med Res Inst Infect Dis, Diagnost Syst Div, Ft Detrick, MD USA. Lawrence Livermore Natl Lab, Livermore, CA USA. USA, Med Res Inst Infect Dis, Headquarters Div, Ft Detrick, MD USA. RP Paragas, J (reprint author), USA, Med Res Inst Infect Dis, Div Virol, Ft Detrick, MD USA. EM jason.paragas@det.amedd.army.mil FU NIAID NIH HHS [AI059136, R01 AI059136] NR 53 TC 47 Z9 48 U1 0 U2 0 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 185 BERRY ST, STE 1300, SAN FRANCISCO, CA 94107 USA SN 1549-1277 J9 PLOS MED JI PLos Med. PD MAY PY 2006 VL 3 IS 5 BP 677 EP 686 AR e149 DI 10.1371/journal.pmed.0030149 PG 10 WC Medicine, General & Internal SC General & Internal Medicine GA 057VS UT WOS:000238623900023 PM 16605302 ER PT J AU Celina, M Clough, RL Jones, GD AF Celina, M Clough, RL Jones, GD TI Initiation of polymer degradation via transfer of infectious species SO POLYMER DEGRADATION AND STABILITY LA English DT Article DE polymer degradation; accelerated aging; initiation process; material interaction; infectious agent ID THERMAL-OXIDATION; IMAGING CHEMILUMINESCENCE; TERMINATED POLYBUTADIENE; SOLID POLYPROPYLENE; STOCHASTIC-MODEL; PEROXY-RADICALS; DECOMPOSITION; MECHANISM; LUMINESCENCE; AUTOXIDATION AB A novel dual stage chemiluminescence detection system incorporating individually controlled hot stages has been developed and applied to probe for material interaction effects during polymer degradation. Utilization of this system has resulted in experimental confirmation for the first time that in an oxidizing environment a degrading polymer A (in this case polypropylene, PP) is capable of infecting a different polymer B (in this case polybutadiene, HTPB) over a relatively large distance. In the presence of the infectious degrading polymer A, the thermal degradation of polymer B is observed over a significantly shorter time period. Consistent with infectious volatiles from material A initiating the degradation process in. material B it was demonstrated that traces (micrograms) of a thermally sensitive peroxide in the vicinity of PP could induce degradation remotely. This observation documents cross-infectious phenomena between different polymers and has major consequences for polymer interactions, understanding fundamental degradation processes and long-term aging effects under combined material exposures. Published by Elsevier Ltd. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Sandia Natl Labs, POB 5800,MS 1411,Dept 1811, Albuquerque, NM 87185 USA. EM mccelin@sandia.gov NR 72 TC 34 Z9 34 U1 2 U2 15 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0141-3910 EI 1873-2321 J9 POLYM DEGRAD STABIL JI Polym. Degrad. Stabil. PD MAY PY 2006 VL 91 IS 5 BP 1036 EP 1044 DI 10.1016/j.polymdegradstab.2005.07.022 PG 9 WC Polymer Science SC Polymer Science GA 022SP UT WOS:000236076400007 ER PT J AU Arvizu, D AF Arvizu, D TI Renewable electricity: Poised to make a difference SO POWER ENGINEERING LA English DT Editorial Material C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Arvizu, D (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU PENNWELL PUBL CO ENERGY GROUP PI TULSA PA 1421 S SHERIDAN RD PO BOX 1260, TULSA, OK 74112 USA SN 0032-5961 J9 POWER ENG-US JI Power Eng. PD MAY PY 2006 VL 110 IS 5 BP 10 EP 10 PG 1 WC Energy & Fuels; Engineering, Multidisciplinary SC Energy & Fuels; Engineering GA 049MH UT WOS:000238020100004 ER PT J AU Fthenakis, V Alsema, E AF Fthenakis, V Alsema, E TI Photovoltaics energy payback times, greenhouse gas emissions and external costs: 2004 - early 2005 status SO PROGRESS IN PHOTOVOLTAICS LA English DT Article DE photovoltaics; energy payback; external costs; greenhouse emissions; life cycle AB Life cycle assessments and external cost estimates of photovoltaics have been often based on old data that do not reflect the extensive technological progress made over the past decade. Our assessment uses current (2004-early 2005) manufacturing data, from twelve European and US photovoltaic companies, and establishes the Energy Payback Times (EPBT), Greenhouse Gas (GHG) emissions and external environmental costs of current commercial PV technologies. Estimates of external costs are about 70% lower than those in recent high-impact publications which were derived from the old data. Copyright (C) 2006 John Wiley & Sons, Ltd. C1 Brookhaven Natl Lab, PV Environm Res Ctr, Upton, NY 11973 USA. Univ Utrecht, Copernicus Inst Sustainable Dev & Innovat, NL-3508 TC Utrecht, Netherlands. RP Fthenakis, V (reprint author), Brookhaven Natl Lab, PV Environm Res Ctr, Upton, NY 11973 USA. EM fthenakis@bnl.gov OI Alsema, Erik/0000-0002-0502-0591 NR 12 TC 140 Z9 144 U1 2 U2 37 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 1062-7995 J9 PROG PHOTOVOLTAICS JI Prog. Photovoltaics PD MAY PY 2006 VL 14 IS 3 BP 275 EP 280 DI 10.1002/pip.706 PG 6 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA 038ON UT WOS:000237232300008 ER PT J AU Lin, CT Moore, PA Auberry, DL Landorf, EV Peppler, T Victry, KD Collart, FR Kery, V AF Lin, CT Moore, PA Auberry, DL Landorf, EV Peppler, T Victry, KD Collart, FR Kery, V TI Automated purification of recombinant proteins: Combining high-throughput with high yield SO PROTEIN EXPRESSION AND PURIFICATION LA English DT Article DE automated; filtration; high-throughput; magnetic separation; protein expression; protein purification; recombinant protein ID ESCHERICHIA-COLI; GENE CLONING; EXPRESSION; PROTEOMICS; TAG AB Protein crystallography, mapping protein interactions, and other functional genomic approaches require purifying many different proteins, each of sufficient yield and homogeneity, for subsequent high-throughput applications. To fill this requirement efficiently, there is a need to develop robust, automated, high-throughput protein expression, and purification processes. We developed and compared two alternative workflows for automated purification of recombinant proteins based on expression of bacterial genes in Escherichia coli (E. coli). The first is a filtration separation protocol in which proteins of interest are expressed in a large volume, 800 ml of E coli cultures, then isolated by filtration purification using Ni-NTA-Agarose (Qiagen). The second is a smaller scale magnetic separation method in which proteins of interest are expressed in a small volume, 25 ml, of E coli cultures then isolated using a 96-well purification system with MagneHis Ni2+ Agarose (Promega). Both workflows provided comparable average yields of proteins, about 8 mu g of purified protein per optical density unit of bacterial culture measured at 600 run. We discuss advantages and limitations of these automated workflows, which can provide proteins with more than 90% purity and yields in the range of 100 mu g to 45 mg per purification run, as well as strategies for optimizing these protocols. (c) 2005 Elsevier Inc. All rights reserved. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Argonne Natl Lab, Argonne, IL 60439 USA. RP Kery, V (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM Vladimir.Kery@pnl.gov OI Collart, Frank/0000-0001-6942-4483 NR 16 TC 18 Z9 22 U1 0 U2 5 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1046-5928 J9 PROTEIN EXPRES PURIF JI Protein Expr. Purif. PD MAY PY 2006 VL 47 IS 1 BP 16 EP 24 DI 10.1016/j.pep.2005.11.015 PG 9 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA 043MC UT WOS:000237604200003 PM 16406573 ER PT J AU Wilton, R Yousef, MA Saxena, P Szpunar, M Stevens, FJ AF Wilton, R Yousef, MA Saxena, P Szpunar, M Stevens, FJ TI Expression and purification of recombinant human receptor for advanced glycation endproducts in Escherichia coli SO PROTEIN EXPRESSION AND PURIFICATION LA English DT Article DE receptor for advanced glycation endproducts; AGE; amyloid; recombinant protein; Escherichia coli ID END-PRODUCTS RAGE; CELL-SURFACE RECEPTOR; HUMAN-SERUM-ALBUMIN; NEURITE OUTGROWTH; N-EPSILON-(CARBOXYMETHYL)LYSINE ADDUCTS; NONENZYMATIC GLYCOSYLATION; DIABETIC COMPLICATIONS; MAILLARD REACTION; PROTEINS; AMPHOTERIN AB The receptor for advanced glycation endproducts (RAGE) is a multiligand receptor that binds a variety of structurally and functionally unrelated ligands, including advanced glycation endproducts (AGEs), amyloid fibrils, amphoterin, and members of the SIN family of proteins. The receptor has been implicated in the pathology of diabetes as well as in inflammatory processes and tumor cell metastasis. For the present study, the extracellular region of RAGE (exRAGE) was expressed as a soluble, C-terminal hexahistidine-tagged fusion protein in the periplasmic space of Escherichia coli. Proper processing and folding of the purified protein, predicted to contain three immunoglobulin-type domains, was supported by the results of electrospray mass spectroscopy and circular dichroism experiments. Sedimentation velocity experiments showed that exRAGE was primarily monomeric in solution. Binding to several RAGE ligands, including AGE-BSA, immunoglobulin light chain amyloid fibrils, and glycosaminoglycans, was demonstrated using pull-down, dot-blot, or enzyme-linked microplate assays. Using surface plasmon resonance, the interaction of exRAGE with AGE-BSA was shown to fit a two-site model, with K-D values of 88 nM and 1.4 mu M. The E. coli-derived exRAGE did not bind the advanced glycation endproduct N-epsilon-(carboxymethyl)lysine, as reported for the cellular receptor, and the possible role of RAGE glycosylation in recognition of this ligand is discussed. This new RAGE construct will facilitate detailed studies of RAGE-ligand interactions and provides a platform for preparation of site-directed mutants for future structure/function studies. (c) 2006 Elsevier Inc. All rights reserved. C1 Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. Univ Chicago, Dept Biochem & Mol Biol, Chicago, IL 60637 USA. Univ Chicago, Biophys Core Facil, Chicago, IL 60637 USA. RP Wilton, R (reprint author), Argonne Natl Lab, Biosci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM rwilton@anl.gov FU NIA NIH HHS [AG22167] NR 50 TC 19 Z9 20 U1 4 U2 6 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1046-5928 J9 PROTEIN EXPRES PURIF JI Protein Expr. Purif. PD MAY PY 2006 VL 47 IS 1 BP 25 EP 35 DI 10.1016/j.pep.2006.01.008 PG 11 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA 043MC UT WOS:000237604200004 PM 16510295 ER PT J AU Londer, YY Pokkuluri, PR Orshonsky, V Orshonsky, L Schiffer, M AF Londer, YY Pokkuluri, PR Orshonsky, V Orshonsky, L Schiffer, M TI Heterologous expression of dodecaheme "nanowire" cytochromes c from Geobacter sulfurreducens SO PROTEIN EXPRESSION AND PURIFICATION LA English DT Article DE Geobacter sulfurreducens; heterologous expression; ligation-independent cloning; multiheme cytochrome c; nanowire ID LIGATION-INDEPENDENT CLONING; SHEWANELLA-ONEIDENSIS MR-1; ESCHERICHIA-COLI; ELECTRON-TRANSFER; MULTIDOMAIN CYTOCHROME; CRYSTAL-STRUCTURE; SIGNAL PEPTIDES; DESULFOVIBRIO; BACTERIA; C(7) AB Multiheme cytochromes c are difficult to produce in heterologous systems. The genome of delta-proteobacterium Geobacter sulfurreducens contains more than a hundred genes coding for c-type cytochromes. Among those are two dodecaheme cytochromes c representing a new class of multiheme cytochromes, whose putative structure is a one-dimensional array of small highly homologous domains that contain three hemes and are covalently bound by short linkers. They are likely to form "nanowires" that are part of the electron transfer chain. We cloned the genes coding for the two cytochromes into a vector we developed for ligation-independent cloning of proteins targeted to the Escherichia coli periplasmic space. We expressed the proteins in E coli co-transformed with a plasmid harboring the cytochrome c maturation genes. Expression levels were optimized by varying IPTG concentrations used for induction. Although both proteins appeared insoluble or strongly associated with cell membranes, they were solubilized using 0.5 M sodium chloride which was more selective than conventional solubilizing agents, such as HEGA-10 or beta-octylglucoside. The solubilized proteins were dialyzed and purified by cation exchange chromatography followed by gel filtration. Mass-spectrometry analysis confirmed that both purified proteins contained the complete set of covalently attached hemes, 12 per molecule. Their visible spectra were typical of c-type cytochromes. Both proteins were successfully crystallized. (c) 2006 Elsevier Inc. All rights reserved. C1 Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. RP Londer, YY (reprint author), Argonne Natl Lab, Biosci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM londer@anl.gov NR 36 TC 22 Z9 23 U1 0 U2 16 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1046-5928 J9 PROTEIN EXPRES PURIF JI Protein Expr. Purif. PD MAY PY 2006 VL 47 IS 1 BP 241 EP 248 DI 10.1016/j.pep.2005.11.017 PG 8 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA 043MC UT WOS:000237604200030 PM 16403647 ER PT J AU Patwardhan, AJ Strittmatter, EF David, GC Smith, RD Pallavicini, MG AF Patwardhan, AJ Strittmatter, EF David, GC Smith, RD Pallavicini, MG TI Quantitative proteome analysis of breast cancer cell lines using O-18-labeling and an accurate mass and time tag strategy SO PROTEOMICS LA English DT Article DE breast cancer; FT-ICR; MS; protein expression; quantitative analysis ID ESTROGEN-RECEPTOR; DUCTAL CARCINOMA; GENE-EXPRESSION; IN-VIVO; LACTATE-DEHYDROGENASE; MESSENGER-RNA; SPECTROMETRY; IDENTIFICATION; PROTEINS; O-18 AB Proteome comparison of cell lines derived from cancer and normal breast epithelium provide opportunities to identify differentially expressed proteins and pathways associated with specific phenotypes. We employed O-16/O-18 peptide labeling, FT-ICR MS, and an accurate mass and time (AMT) tag strategy to simultaneously compare the relative abundance of hundreds of proteins in non-cancer and cancer cell lines derived from breast tissue. A cell line reference panel allowed relative protein abundance comparisons among multiple cell lines and across multiple experiments. A peptide database generated from multidimensional LC separations and MS/MS analysis was used for subsequent AMT tag-based peptide identifications. This peptide database represented a total of 2299 proteins, including 514 that were quantified in five cell lines using the AMT tag and O-16/O-11 strategies. Eighty-six proteins showed at least a threefold protein abundance change between cancer and non-cancer cell lines. Hierarchical clustering of protein abundance ratios revealed that several groups of proteins were differentially expressed between the cancer cell lines. C1 Univ Calif, Sch Nat Sci, Merced, CA 95344 USA. Univ Calif San Francisco, Ctr Comprehens Canc, San Francisco, CA 94143 USA. Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. Pacific NW Natl Lab, Environm & Mol Sci Lab, Richland, WA 99352 USA. RP Pallavicini, MG (reprint author), Univ Calif, Sch Nat Sci, POB 2039, Merced, CA 95344 USA. EM mpallavicini@ucmerced.edu RI Smith, Richard/J-3664-2012 OI Smith, Richard/0000-0002-2381-2349 FU NCI NIH HHS [CA86135]; NCRR NIH HHS [RR18522] NR 59 TC 29 Z9 31 U1 0 U2 3 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1615-9853 J9 PROTEOMICS JI Proteomics PD MAY PY 2006 VL 6 IS 9 BP 2903 EP 2915 DI 10.1002/pmic.200500582 PG 13 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 045WN UT WOS:000237773500024 PM 16596714 ER PT J AU Cool, RJ Eisenstein, DJ Hogg, DW Blanton, MR Schlegel, DJ Brinkmann, J Schneider, DP Vanden Berk, DE AF Cool, RJ Eisenstein, DJ Hogg, DW Blanton, MR Schlegel, DJ Brinkmann, J Schneider, DP Vanden Berk, DE TI SDSS preburst observations of recent gamma-ray burst fields SO PUBLICATIONS OF THE ASTRONOMICAL SOCIETY OF THE PACIFIC LA English DT Article ID DIGITAL SKY SURVEY; SPECTROSCOPIC TARGET SELECTION; DATA RELEASE; HOST GALAXY; AFTERGLOW; GRB-050709; UNIVERSE; SYSTEM; SAMPLE; PROGENITOR AB We present Sloan Digital Sky Survey (SDSS) photometry and spectroscopy in the fields of 27 gamma-ray bursts observed by Swift, including bursts localized by Swift, HETE-2, and INTEGRAL, after 2004 December. After this bulk release, we plan to provide individual releases of similar data shortly after the localization of future bursts falling in the SDSS survey area. These data provide a solid basis for the astrometric and photometric calibration of follow-up afterglow searches and monitoring. Furthermore, the images provided with this release will allow observers to find transient objects up to a magnitude fainter than is possible with Digitized Sky Survey images. C1 Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. NYU, Ctr Cosmol & Particle Phys, Dept Phys, New York, NY 10003 USA. Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Apache Point Observ, Sunspot, NM 88349 USA. Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. RP Cool, RJ (reprint author), Univ Arizona, Steward Observ, 933 N Cherry Ave, Tucson, AZ 85721 USA. EM rcool@as.arizona.edu OI Hogg, David/0000-0003-2866-9403 NR 53 TC 1 Z9 1 U1 0 U2 0 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-6280 J9 PUBL ASTRON SOC PAC JI Publ. Astron. Soc. Pac. PD MAY PY 2006 VL 118 IS 843 BP 733 EP 739 DI 10.1086/503334 PG 7 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 050WR UT WOS:000238120600009 ER PT J AU Kouzes, RT Siciliano, ER AF Kouzes, RT Siciliano, ER TI The response of radiation portal monitors to medical radionuclides at border crossings SO RADIATION MEASUREMENTS LA English DT Article DE medical radiopharmaceuticals; radionuclides; portal monitors; plastic scintillator; radiation detection; border security AB Radiopharmaceuticals are administered to a large number of individuals each year, and at any given time can be found at detectable levels in about one in 2600 Americans. Such individuals are among the population crossing international borders where equipment has been deployed for radiation detection, and the resulting "nuisance" alarms produced by these individuals must be resolved by further inspection like all other alarms. During 2001, a total of approximately 14.4 million medical procedures using radionuclides were performed in the US. This number rose to over 16.5 million in 2004. Of this total number of procedures, approximately 98% were diagnostic procedures and 2% were therapeutic procedures. Although there were over 45 different commercially-available products used in over 75 different types of medical procedures, only 17 different radioisotopes comprise the complete set of active radionuclides in the commercially-available radiopharmaceuticals in the US. There are other experimental radiopharmaceuticals in use, but their presence in the population is rare. Of these 17 radioisotopes, nine are customarily administered to outpatients and produce sufficiently energetic photons that can readily be detected. The radioisotope Tc-99m is administered in about 90% of the procedures and is the one most likely to be detected by radiation screening equipment. This paper reports on various impacts of radiopharmaceuticals observed in people at border crossings. Calculations were performed to simulate the response of multi-lane portal radiation monitor deployments to these types of sources. Results are given for the time period during which radiopharmaceuticals might be detectable by radiation screening equipment at border crossings. (c) 2005 Elsevier Ltd. All rights reserved. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Kouzes, RT (reprint author), Pacific NW Natl Lab, MS P8-20,POB 999, Richland, WA 99352 USA. EM richard.kouzes@pnl.gov NR 9 TC 11 Z9 11 U1 0 U2 4 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1350-4487 J9 RADIAT MEAS JI Radiat. Meas. PD MAY PY 2006 VL 41 IS 5 BP 499 EP 512 DI 10.1016/j.radmeas.2005.11.005 PG 14 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 055SR UT WOS:000238471200001 ER PT J AU Mack, JM Berggren, RR Caldwell, SE Christensen, CR Evans, SC Faulkner, JR Griffith, RL Hale, GM King, RS Lash, DK Lerche, RA Oertel, JA Pacheco, DM Young, CS AF Mack, JM Berggren, RR Caldwell, SE Christensen, CR Evans, SC Faulkner, JR Griffith, RL Hale, GM King, RS Lash, DK Lerche, RA Oertel, JA Pacheco, DM Young, CS TI Remarks on detecting high-energy deuterium-tritium fusion gamma rays using a gas Cherenkov detector SO RADIATION PHYSICS AND CHEMISTRY LA English DT Article DE fusion; d plus t; He-5; R-matrix; Cherenkov; omega; gamma rays ID CAPTURE AB As fusion ignition conditions are approached using the national ignition facility (NIF), independent high-bandwidth gamma-ray fusion burn measurements become essential complements to information obtained from neutron diagnostics. The 16.75-MeV gamma rays that accompany deuterium-tritium (d + t) fusion can be detected using a high-bandwidth gaseous carbon dioxide Cherenkov threshold detector. The detection energy threshold was set by the CO2 gas pressure. A I-GHz detector system was fielded successfully at the Omega laser facility, demonstrating unambiguous detection of high-energy fusion gamma rays from high-yield d + t implosions. An experiment to detect the similar to 12.5 MeV d-t fusion gamma ray is described. (c) 2006 Elsevier Ltd. All rights reserved. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Lawrence Livermore Natl Lab, Livermore, CA USA. RP Mack, JM (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM jmmack@lanl.gov; csyoung@qwest.net NR 20 TC 13 Z9 13 U1 0 U2 3 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0969-806X J9 RADIAT PHYS CHEM JI Radiat. Phys. Chem. PD MAY PY 2006 VL 75 IS 5 BP 551 EP 556 DI 10.1016/j.radphyschem.2005.12.026 PG 6 WC Chemistry, Physical; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical SC Chemistry; Nuclear Science & Technology; Physics GA 029JG UT WOS:000236557900002 ER PT J AU Costes, SV Boissiere, A Ravani, S Romano, R Parvin, B Barcellos-Hoff, MH AF Costes, SV Boissiere, A Ravani, S Romano, R Parvin, B Barcellos-Hoff, MH TI Imaging features that discriminate between foci induced by high- and low-LET radiation in human fibroblasts SO RADIATION RESEARCH LA English DT Article ID DOUBLE-STRAND BREAKS; PHOSPHORYLATED HISTONE H2AX; DNA-DAMAGE; NUCLEAR FOCI; CELL-CYCLE; GAMMA-H2AX FOCI; LOCALIZATION; ATM; EXPRESSION; CHROMATIN AB In this study, we investigated the formation of radiation-induced foci in normal human fibroblasts exposed to X rays or 130 keV/mu m nitrogen ions using antibodies to phosphorylated protein kinase ataxia telangiectasia mutated (ATMp) and histone H2AX (gamma-H2AX). High-content automatic image analysis was used to quantify the immunofluorescence of radiation-induced foci. The size of radiation-induced foci increased for both proteins over a 2-h period after nitrogen-ion irradiation, while the size of radiation-induced foci did not change after exposure to low-LET radiation. The number of radiation-induced ATMp foci showed a more rapid rise and greater frequency after X-ray exposure and was resolved more rapidly such that the frequency of radiation-induced foci decreased by 90% compared to 60% after exposure to high-LET radiation 2 h after 30 cGy. In contrast, the kinetics of radiation-induced gamma-H2AX focus formation was similar for high- and low-LET radiation in that it reached a plateau early and remained constant for up to 2 h. High-resolution 3D images of radiation-induced gamma-H2AX foci and dosimetry computation suggest that multiple double-strand breaks from nitrogen ions are encompassed within large nuclear domains of 4.4 Mbp. Our work shows that the size and frequency of radiation-induced foci vary as a function of radiation quality, dose, time and protein target. Thus, even though double-strand breaks and radiation-induced foci are correlated, the dynamic nature of both contradicts their accepted equivalence for low doses of different radiation qualities. (c) 2006 by Radiation Research Society. C1 Lawrence Berkeley Lab, Life Sci Div, Berkeley, CA 94720 USA. RP Costes, SV (reprint author), Lawrence Berkeley Lab, Life Sci Div, 1 Cyclotron Rd,MS 977R225A, Berkeley, CA 94720 USA. EM svcostes@lbl.gov RI Costes, Sylvain/D-2522-2013 OI Costes, Sylvain/0000-0002-8542-2389 NR 32 TC 77 Z9 81 U1 0 U2 0 PU RADIATION RESEARCH SOC PI OAK BROOK PA 820 JORIE BOULEVARD, OAK BROOK, IL 60523 USA SN 0033-7587 J9 RADIAT RES JI Radiat. Res. PD MAY PY 2006 VL 165 IS 5 BP 505 EP 515 DI 10.1667/RR3538.1 PG 11 WC Biology; Biophysics; Radiology, Nuclear Medicine & Medical Imaging SC Life Sciences & Biomedicine - Other Topics; Biophysics; Radiology, Nuclear Medicine & Medical Imaging GA 039UZ UT WOS:000237334200002 PM 16669704 ER PT J AU Otsuka, S Coderre, JA Micca, PL Morris, GM Hopewell, JW Rola, R Fike, JR AF Otsuka, S Coderre, JA Micca, PL Morris, GM Hopewell, JW Rola, R Fike, JR TI Depletion of neural precursor cells after local brain irradiation is due to radiation dose to the parenchyma, not the vasculature SO RADIATION RESEARCH LA English DT Article ID BORON NEUTRON-CAPTURE; CENTRAL-NERVOUS-SYSTEM; RAT SPINAL-CORD; ADULT HIPPOCAMPAL NEUROGENESIS; STEM-CELLS; X-IRRADIATION; P-BORONOPHENYLALANINE; DENTATE GYRUS; THERAPY; PATHOGENESIS AB The underlying mechanisms associated with radiation-induced cognitive impairments remain elusive but may involve changes in hippocampal neural precursor cells. Proliferating neural precursor cells have been shown to be extremely sensitive to X rays, either from damage to the cells themselves and/or through microenvironmental factors, including the anatomical relationship with the microvasculature, which is altered by radiation. The neutron capture reaction in boron was used to determine whether the sensitivity of neural precursor cells was dominated by direct radiation effects or was mediated through changes in the microvasculature. Young adult rats were irradiated with X rays, neutrons only, or neutrons plus either mercapto-undecahydro-dodecaborane (BSH) or p-dihydroxyboryi-phenylaianine (BPA). BSH remains inside cerebral vessels, thereby limiting the neutron capture intravascularly; BPA readily passes into the parenchyma. One month after irradiation, cell proliferation and numbers of immature neurons were determined using immunohistochemistry. Results showed that (1) neural precursor cells and their progeny were decreased in a dose-dependent manner by mixed high- and low-LET radiation, and (2) selective irradiation of the microvasculature resulted in less loss of neural precursor cells than when the radiation dose was delivered uniformly to the parenchyma. This information, and in particular the approach of selectively irradiating the vasculature, may be useful in developing radioprotective compounds for use during therapeutic irradiation. (c) 2006 by Radiation Research Society. C1 Univ Calif San Francisco, Dept Neurol Surg, San Francisco, CA 94143 USA. Univ Calif San Francisco, Dept Radiat Oncol, San Francisco, CA 94143 USA. MIT, Dept Nucl Sci & Engn, Cambridge, MA 02139 USA. Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. Churchill Hosp, Dept Clin Oncol, Oxford OX3 7LJ, England. RP Fike, JR (reprint author), San Francisco Gen Hosp, Brain & Spinal Injury Ctr, Bldg 1,Room 101,1001 Potrero Ave, San Francisco, CA 94110 USA. EM jfike@itsa.ucsf.edu FU NCI NIH HHS [R01 CA76141]; NINDS NIH HHS [R01 NS46051] NR 55 TC 17 Z9 17 U1 0 U2 2 PU RADIATION RESEARCH SOC PI OAK BROOK PA 820 JORIE BOULEVARD, OAK BROOK, IL 60523 USA SN 0033-7587 J9 RADIAT RES JI Radiat. Res. PD MAY PY 2006 VL 165 IS 5 BP 582 EP 591 DI 10.1667/RR3539.1 PG 10 WC Biology; Biophysics; Radiology, Nuclear Medicine & Medical Imaging SC Life Sciences & Biomedicine - Other Topics; Biophysics; Radiology, Nuclear Medicine & Medical Imaging GA 039UZ UT WOS:000237334200011 PM 16669713 ER PT J AU Aiman-Smith, L Bean, AS Cantwell, A Chapas, R Collins, MJ Kingon, AI Mugge, PC AF Aiman-Smith, L Bean, AS Cantwell, A Chapas, R Collins, MJ Kingon, AI Mugge, PC TI Social networks key to harnessing nanoscience knowledge explosion SO RESEARCH-TECHNOLOGY MANAGEMENT LA English DT Editorial Material C1 N Carolina State Univ, CIMS, Raleigh, NC 27695 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. Air Prod & Chem Inc, Allentown, PA USA. RP Aiman-Smith, L (reprint author), N Carolina State Univ, CIMS, Raleigh, NC 27695 USA. EM Lynda_aiman-smith@ncsu.edu; abean27@cox.net; acantwell@nc.rr.com; richard.chapas@pnl.gov; collinm1@apci.com; angus_kingon@ncsu.edu; paul_mugge@ncsu.edu NR 5 TC 0 Z9 0 U1 0 U2 0 PU INDUSTRIAL RESEARCH INSTITUTE, INC PI ARLINGTON PA 2200 CLARENDON BLVD, STE 1102, ARLINGTON, VA 22201 USA SN 0895-6308 J9 RES TECHNOL MANAGE JI Res.-Technol. Manage. PD MAY-JUN PY 2006 VL 49 IS 3 BP 2 EP 4 PG 3 WC Business; Engineering, Industrial; Management SC Business & Economics; Engineering GA 039VK UT WOS:000237335400001 ER PT J AU Janssen, Y Angst, M Dennis, KW Canfield, PC McCallum, RW AF Janssen, Y Angst, M Dennis, KW Canfield, PC McCallum, RW TI Small sealed Ta crucible for thermal analysis of volatile metallic samples SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID SOLUTION GROWTH AB Differential thermal analysis on metallic alloys containing volatile elements can be highly problematic. Here we show how measurements can be performed in commercial, small-sample equipment without modification. This is achieved by using a sealed Ta crucible, easily fabricated from Ta tubing and sealed in a standard arc furnace. The crucible performance is demonstrated by measurements on a mixture of Mg and MgB2, after heating up to 1470 degrees C. We also show data, measured on an alloy with composition Gd40Mg60, that clearly show both the liquidus and a peritectic and are consistent with published phase-diagram data. (c) 2006 American Institute of Physics. C1 Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Janssen, Y (reprint author), Ames Lab, Ames, IA 50011 USA. EM yjanssen@ameslab.gov RI Angst, Manuel/I-4380-2012; Canfield, Paul/H-2698-2014 OI Angst, Manuel/0000-0001-8892-7019; NR 7 TC 7 Z9 7 U1 0 U2 7 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD MAY PY 2006 VL 77 IS 5 AR 056104 DI 10.1063/1.2202923 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 048KM UT WOS:000237946000044 ER PT J AU Kyrala, GA AF Kyrala, GA TI Cross calibration of AGFA-D7 x-ray film against direct exposure film from 2 to 8.5 keV using laser generated x-rays SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article AB Direct exposure film (DEF) is being discontinued. DEF film has been the workhorse in inertial confinement fusion (ICF) research and is used to record x-ray images and spectra. A previous search for a replacement [K. M. Chandler , Rev. Sci. Instrum. 76, 113111 (2005)] did not consider AGFA film. We present comparisons using the results of measurements using AGFA-D7 film, XAR, TMG, and Biomax-MS films in the same spectrometer recording a gold spectrum in the 2-4 keV range and the iron spectrum in the 5-8.5 keV range. AGFA film was found to have some unique properties useful in x-ray spectroscopy and imaging, especially when signal strength is not a concern. (c) 2006 American Institute of Physics. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Kyrala, GA (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. NR 7 TC 2 Z9 2 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD MAY PY 2006 VL 77 IS 5 AR 055104 DI 10.1063/1.2194787 PG 5 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 048KM UT WOS:000237946000033 ER PT J AU McDonald, TJ Jones, M Engtrakul, C Ellingson, RJ Rumbles, G Heben, MJ AF McDonald, TJ Jones, M Engtrakul, C Ellingson, RJ Rumbles, G Heben, MJ TI Near-infrared Fourier transform photoluminescence spectrometer with tunable excitation for the study of single-walled carbon nanotubes SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID BROKEN SYMMETRY; SPECTRA; ROPES; PSEUDOGAPS AB A fast, sensitive, automated Fourier transform (FT) photoluminescence (PL) spectrometer with tunable excitation has been developed for analyzing carbon nanotube suspensions over a wide spectral range. A commercially available spectrometer was modified by the addition of a tunable excitation source, custom collection optics, and computer software to provide control and automated data collection. The apparatus enables excitation from 400 to 1100 nm and detection from 825 to 1700 nm, permitting the analysis of virtually all semiconducting single-walled nanotubes (SWNTs), including those produced by the high pressure carbon monoxide conversion and laser processes. The FT approach provides an excellent combination of high sensitivity and fast measurement. The speed advantage exists because the entire emission spectrum is collected simultaneously, while the sensitivity advantage stems from the high optical throughput. The high sensitivity is demonstrated in the measurement of very dilute SWNT suspensions and the observation of novel spectral features, and the speed is demonstrated by measuring the real-time changes in the SWNT PL during rebundling. This contribution describes the assembly of components, the methods for automating data collection, and the procedures for correcting the wavelength-dependent excitation intensity and the interferometer and detector responses. (c) 2006 American Institute of Physics. C1 Natl Renewable Energy Lab, Ctr Basic Sci, Golden, CO 80401 USA. Columbia Univ, Dept Appl Phys, New York, NY 10027 USA. RP McDonald, TJ (reprint author), Natl Renewable Energy Lab, Ctr Basic Sci, Golden, CO 80401 USA. RI Jones, Marcus/B-3291-2008; Engtrakul, Chaiwat/H-5634-2011; Ellingson, Randy/H-3424-2013; OI Jones, Marcus/0000-0001-9912-1168; Rumbles, Garry/0000-0003-0776-1462 NR 30 TC 16 Z9 16 U1 0 U2 6 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD MAY PY 2006 VL 77 IS 5 AR 053104 DI 10.1063/1.2198748 PG 6 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 048KM UT WOS:000237946000004 ER PT J AU Mueller, RP Brown, RS Hop, H Moulton, L AF Mueller, Robert P. Brown, Richard S. Hop, Haakon Moulton, Larry TI Video and acoustic camera techniques for studying fish under ice: a review and comparison SO REVIEWS IN FISH BIOLOGY AND FISHERIES LA English DT Review DE acoustic camera; DIDSON; fish surveys; video; ice; Sagavanirktok River; Alaska ID ARCTIC SEA-ICE; ONCORHYNCHUS-CLARKI; WINTER MOVEMENTS; CUTTHROAT TROUT; SONAR; FALL; DENSITY; BASS AB Researchers attempting to study the presence, abundance, size, and behavior of fish species in northern and arctic climates during winter face many challenges, including the presence of thick ice cover, snow cover, and, sometimes, extremely low temperatures. This paper describes and compares the use of video and acoustic cameras for determining fish presence and behavior in lakes, rivers, and streams with ice cover. Methods are provided for determining fish density and size, identifying species, and measuring swimming speed and successful applications of previous surveys of fish under the ice are described. These include drilling ice holes, selecting batteries and generators, deploying pan and tilt cameras, and using paired colored lasers to determine fish size and habitat associations. We also discuss use of infrared and white light to enhance image-capturing capabilities, deployment of digital recording systems and time-lapse techniques, and the use of imaging software. Data are presented from initial surveys with video and acoustic cameras in the Sagavanirktok River Delta, Alaska, during late winter 2004. These surveys represent the first known successful application of a dual-frequency identification sonar (DIDSONTM) acoustic camera under the ice that achieved fish detection and sizing at camera ranges up to 16 m. Feasibility tests of video and acoustic cameras for determining fish size and density at various turbidity levels are also presented. Comparisons are made of the different techniques in terms of suitability for achieving various fisheries research objectives. This information is intended to assist researchers in choosing the equipment that best meets their study needs. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Norwegian Polar Res Inst, N-9296 Tromso, Norway. MJM Res, Lopez Isl, WA 98261 USA. RP Mueller, RP (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM robert.mueller@pnl.gov NR 31 TC 35 Z9 39 U1 4 U2 23 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0960-3166 J9 REV FISH BIOL FISHER JI Rev. Fish. Biol. Fish. PD MAY PY 2006 VL 16 IS 2 BP 213 EP 226 DI 10.1007/s11160-006-9011-0 PG 14 WC Fisheries; Marine & Freshwater Biology SC Fisheries; Marine & Freshwater Biology GA 084MH UT WOS:000240536600006 ER PT J AU Wang, YC Misra, A Hoagland, RG AF Wang, YC Misra, A Hoagland, RG TI Fatigue properties of nanoscale Cu/Nb multilayers SO SCRIPTA MATERIALIA LA English DT Article DE fatigue; sputtering deposition; nanocomposite; multilayer thin films; resonant frequency ID CYCLE FATIGUE; CRACK-GROWTH; COPPER FOILS; COMPOSITES; FILMS; STRENGTH; SILICON AB Fatigue properties of magnetron sputtered Cu/Nb composite laminates with 40 nm individual layer thickness were determined. Compared to bulk Cu, over an order of magnitude increase in the stress to failure was observed. The ratio of the fatigue endurance limit to the ultimate tensile strength was about 0.35. (c) 2006 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. RP Wang, YC (reprint author), Los Alamos Natl Lab, Mat Sci & Technol Div, Mailstop G755, Los Alamos, NM 87545 USA. EM yunche@lanl.gov RI Hoagland, Richard/G-9821-2012; Misra, Amit/H-1087-2012 NR 22 TC 69 Z9 73 U1 7 U2 43 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD MAY PY 2006 VL 54 IS 9 BP 1593 EP 1598 DI 10.1016/j.scriptamat.2006.01.027 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 019VP UT WOS:000235865100010 ER PT J AU Wu, X Zhu, YT Chen, MW Ma, E AF Wu, X Zhu, YT Chen, MW Ma, E TI Twinning and stacking fault formation during tensile deformation of nanocrystalline Ni SO SCRIPTA MATERIALIA LA English DT Article DE nanostructure; twinning; plastic deformation; nickel ID MOLECULAR-DYNAMICS SIMULATION; STRAIN-RATE; PLASTIC-DEFORMATION; ACTIVATION VOLUME; RATE SENSITIVITY; METALS; MECHANISM; TWINS; AL; MICROSTRUCTURE AB Deformation twins and stacking faults have been observed in nanocrystal line Ni, for the first time under uniaxial tensile test conditions. These partial dislocation mediated deformation mechanisms are enhanced at cryogenic test temperatures. Our observations highlight the effects of deformation conditions, temperature in particular, on deformation mechanisms in nanograins. (c) 2006 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100080, Peoples R China. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Tohoku Univ, Mat Res Inst, Sendai, Miyagi, Japan. Johns Hopkins Univ, Dept Mat Sci & Engn, Baltimore, MD 21218 USA. RP Wu, X (reprint author), Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100080, Peoples R China. EM xlwu@imech.ac.cn; ema@jhu.edu RI Zhu, Yuntian/B-3021-2008; Ma, En/A-3232-2010; Chen, Mingwei/A-4855-2010 OI Zhu, Yuntian/0000-0002-5961-7422; Chen, Mingwei/0000-0002-2850-8872 NR 23 TC 80 Z9 85 U1 12 U2 77 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD MAY PY 2006 VL 54 IS 9 BP 1685 EP 1690 DI 10.1016/j.scriptamat.2005.12.045 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 019VP UT WOS:000235865100026 ER PT J AU Holcomb, GR Alman, DE AF Holcomb, GR Alman, DE TI The effect of manganese additions on the reactive evaporation of chromium in Ni-Cr alloys SO SCRIPTA MATERIALIA LA English DT Article DE oxidation nickel alloys; thermodynamics; evaporation ID DOPED LAMNO3 ELECTRODES; OXIDE FUEL-CELLS; SOLID-SOLUTIONS; DEPOSITION; VOLATILITY; VAPOR AB Chromium oxide undergoes reactive evaporation at high temperatures in the presence of oxygen and/or water vapor. The deposition of gaseous chromium species onto solid oxide fuel cell electrodes can reduce the efficiency of the fuel cell. Manganese additions can lead to the formation of manganese-chromium spinels, which can reduce chromium evaporation by as much as a factor of 35 at 800 degrees C and 55 at 700 degrees C. Published by Elsevier Ltd. on behalf of Acta Materialia Inc. 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 holcomb@alrc.doe.gov RI Holcomb, Gordon/G-9070-2013 OI Holcomb, Gordon/0000-0003-3542-5319 NR 16 TC 53 Z9 59 U1 4 U2 15 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6462 J9 SCRIPTA MATER JI Scr. Mater. PD MAY PY 2006 VL 54 IS 10 BP 1821 EP 1825 DI 10.1016/j.scriptamat.2006.01.026 PG 5 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 024YT UT WOS:000236233200018 ER PT J AU Classen, AT DeMarco, J Hart, SC Whitham, TG Cobb, NS Koch, GW AF Classen, AT DeMarco, J Hart, SC Whitham, TG Cobb, NS Koch, GW TI Impacts of herbivorous insects on decomposer communities during the early stages of primary succession in a semi-arid woodland SO SOIL BIOLOGY & BIOCHEMISTRY LA English DT Article DE community-level physiological profiles; enzyme activity; insect herbivory; insect-susceptible and resistant trees; litter microarthropods; microbial biomass; pinon-juniper woodlands; semi-arid ID PLANT LITTER DECOMPOSITION; CARBON-SOURCE UTILIZATION; SOIL MICROBIAL BIOMASS; SHRUB-STEPPE ECOSYSTEM; GYPSY-MOTH FRASS; ENVIRONMENTAL-STRESS; PINYON PINES; CONTRASTING SITES; CLIMATE-CHANGE; NITROGEN AB Changes in nutrient inputs due to aboveground herbivory may influence the litter and soil microbial community responsible for processes such as decomposition. The mesophyll-feeding scale insect (Matsucoccus acalyptus) found near Sunset Crater National Monument in northern Arizona, USA significantly increases pinon (Pinus edulis) needle litter nitrogen (N) and phosphorus (P) concentrations by 50%, as well as litter inputs to soil by 21%. Because increases in needle litter quality and quantity of this magnitude should affect the microbial communities responsible for decomposition, we tested the hypothesis that insect herbivory causes a shift in soil microbial and litter microarthropod function. Four major findings result from this research: (1) Despite increases in needle inputs due to herbivory, soil carbon (C) was 56% lower beneath scale-susceptible trees than beneath resistant trees; however, soil moisture, N, and pH were similar among treatments. (2) Microbial biomass was 80% lower in soils beneath scale-susceptible trees when compared to resistant trees in the dry season, while microbial enzyme activities were lower beneath susceptible trees in the wet season. (3) Bacterial community-level physiological profiles differed significantly between susceptible and resistant trees during the dry season but not during the wet season. (4) There was a 40% increase in Oribatida and 23% increase in Prostigmata in susceptible needle litter relative to resistant litter. Despite these changes, the magnitude of microbial biomass, activity, and community structure response to herbivory was lower than expected and appears to take a long time to develop. These results suggest that herbivores impact soils in subtle, but important ways; we suggest that while litter chemistry may strongly mediate soil fertility and microbial communities in mesic ecosystems, the influence is lower than expected in this primary succession xeric ecosystem where season mediates differences in microbial populations. Understanding how insect herbivores alter the distribution of susceptible and resistant trees and their associated decomposer communities in and environments may lead to better prediction of how these ecosystems respond to climatic change. (c) 2005 Elsevier Ltd. All rights reserved. C1 No Arizona Univ, Dept Biol Sci, Flagstaff, AZ 86011 USA. Merriam Powell Ctr Environm Res, Flagstaff, AZ 86011 USA. No Arizona Univ, Dept Environm Sci, Flagstaff, AZ 86011 USA. No Arizona Univ, Sch Forestry, Flagstaff, AZ 86011 USA. Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Classen, AT (reprint author), No Arizona Univ, Dept Biol Sci, Box 5640, Flagstaff, AZ 86011 USA. EM classenat@ornl.gov RI Classen, Aimee/C-4035-2008 OI Classen, Aimee/0000-0002-6741-3470 NR 59 TC 18 Z9 19 U1 2 U2 30 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-0717 J9 SOIL BIOL BIOCHEM JI Soil Biol. Biochem. PD MAY PY 2006 VL 38 IS 5 BP 972 EP 982 DI 10.1016/j.soilbio.2005.08.009 PG 11 WC Soil Science SC Agriculture GA 042RF UT WOS:000237545900013 ER PT J AU Treseder, KK Torn, MS Masiello, CA AF Treseder, Kathleen K. Torn, Margaret S. Masiello, Caroline A. TI An ecosystem-scale radiocarbon tracer to test use of litter carbon by ectomycorrhizal fungi SO SOIL BIOLOGY & BIOCHEMISTRY LA English DT Article DE carbon; decomposition; ectomycorrhizal fungi; host plant; litter; photosynthate; radiocarbon; roots; saprotrophic ID NITROGEN; C-14; GROWTH; PINE; OAK; MYCORRHIZAS; ACQUISITION; SYSTEM; FOREST; PLANTS AB The degree to which ectomycorrhizal fungi rely on decomposing litter as a carbon source in natural ecosystems is unknown. We used a radiocarbon (C-14) tracer to test for uptake of litter carbon by ectomycorrhizal fungi as part of the Enriched Background Isotope Study (EBIS) in Oak Ridge Reservation, Tennessee. In EBIS, leaf litter from a highly C-14-labeled Quercus alba (white oak) forest was reciprocally transplanted with litter from a nearby low-labeled forest that had not been as strongly exposed to C-14. These litter transplants were conducted yearly. We measured Delta C-14 signatures of ectomycorrhizal fungi collected from each forest four months and 2.25 years after the first litter transplant. The ectomycorrhizas were associated with white oak trees. We found no significant differences in C-14 signatures of ectomycorrhizal fungi exposed to low-labeled versus high-labeled litter, indicating that less than 2% of the carbon in ectomycorrhizal biomass originated from transplanted litter. In contrast, ectomycorrhizal Delta C-14 signatures from the high-labeled forest were 117-140%. higher than those from the low-labeled forest. This pattern suggests that ectomycorrhizal fungi acquired most (or all) of their carbon from their host plants, probably via direct transfer of photosynthate through the roots. (c) 2005 Elsevier Ltd. All rights reserved. C1 Univ Calif Irvine, Dept Ecol & Evolutionary Biol, Irvine, CA 92697 USA. Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA 92697 USA. Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. Rice Univ, Dept Earth Sci, Houston, TX 77005 USA. RP Treseder, KK (reprint author), Univ Calif Irvine, Dept Ecol & Evolutionary Biol, Irvine, CA 92697 USA. EM treseder@uci.edu RI Masiello, Caroline/A-2653-2011; Treseder, Kathleen/E-5148-2011; Torn, Margaret/D-2305-2015 OI Masiello, Caroline/0000-0003-2102-6229; NR 35 TC 31 Z9 32 U1 1 U2 25 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0038-0717 J9 SOIL BIOL BIOCHEM JI Soil Biol. Biochem. PD MAY PY 2006 VL 38 IS 5 BP 1077 EP 1082 DI 10.1016/j.soilbio.2005.09.006 PG 6 WC Soil Science SC Agriculture GA 042RF UT WOS:000237545900024 ER PT J AU Devine, WD Tyler, DD Mullen, MD Houston, AE Joslin, JD Hodges, DG Tolbert, VR Walsh, ME AF Devine, WD Tyler, DD Mullen, MD Houston, AE Joslin, JD Hodges, DG Tolbert, VR Walsh, ME TI Conversion from an American sycamore (Platanus occidentalis L.) biomass crop to a no-till corn (Zea mays L.) system: Crop yields and management implications SO SOIL & TILLAGE RESEARCH LA English DT Article DE American sycamore; corn; bioenergy crops; crop rotation; fertilization; nitrogen immobilization ID COARSE WOODY DEBRIS; SOIL-NITROGEN; ROOT DECOMPOSITION; NEW-YORK; FOREST; PLANTATIONS; AVAILABILITY; ACCUMULATION; PLANTINGS; REMOVAL AB It is not known if a short-rotation woody crop (SRWC) grown on a historically agricultural site will affect subsequent row crops if the site is returned to annual row crop production after harvest of the SRWC. The objectives of this study were to determine the. feasibility of converting an American sycamore biomass plantation to a no-till corn system and to document the effects of the sycamore plantation on corn grain yields and N fertilizer efficacy. The study was in southwestern TN, USA, on a Memphis-Loring silt loam intergrade (fine-silty, mixed, active, thermic Typic Hapludalfs-fine-silty, mixed, active, thermic Oxyaquic Fragiudalfs). Four-year (SY4C) and 5-year (SY5C) rotations of American sycamore were followed by no-till corn. Soybean [Glycine max (L.) Merr.] followed by corn (SBC) was a control treatment. Four rates of broadcast NH4NO3 (0, 73, 146, and 219 kg N ha(-1)) were applied to corn crops. The quantity of N removed in the harvest of the sycamore crop was similar to that of a sin-le harvest of corn grain; thus, the SRWC did not constitute a significant loss of N from the system. No mechanical problems were encountered when planting no-till corn over sycamore stumps. Stump total N concentration increased from 2.2 to 8.5 g kg(-1) in the first 104 weeks after sycamore harvest, likely due to microbial immobilization. While first- and second-year corn after sycamore required 219 kg ha-1 fertilizer N to maximize grain yield, third-year corn after sycamore and corn grown after soybean both reached maximum yields at 146 kg N ha(-1). These responses suggest that the N fertilizer requirement during at least the first 2 years of corn following sycamore is increased by the sycamore crop. After converting from a SRWC to a row crop, plant-available N should be carefully monitored due to potential losses from N immobilization in woody residues. (c) 2005 Elsevier B.V. All rights reserved. C1 USDA, Forest Serv, PNW Res Stn, Olympia Forestry Sci Lab, Olympia, WA 98512 USA. Univ Tennessee, W Tennessee Expt Stn, Jackson, TN 38301 USA. Univ Kentucky, Coll Agr, Lexington, KY 40546 USA. Univ Tennessee, Ames Plantat, Grand Junction, TN 38039 USA. Belowground Forest Res, Oak Ridge, TN 37830 USA. Univ Tennessee, Dept Forestry Wildlife & Fisheries, Knoxville, TN 37901 USA. Oak Ridge Natl Lab, Bioenergy Feedstock Dev Program, Oak Ridge, TN 37831 USA. RP Devine, WD (reprint author), USDA, Forest Serv, PNW Res Stn, Olympia Forestry Sci Lab, 3625 93rd Ave SW, Olympia, WA 98512 USA. EM wdevine@fs.fed.us OI Hodges, Donald/0000-0001-6751-0927 NR 52 TC 4 Z9 4 U1 0 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-1987 J9 SOIL TILL RES JI Soil Tillage Res. PD MAY PY 2006 VL 87 IS 1 BP 101 EP 111 DI 10.1016/j.still.2005.03.006 PG 11 WC Soil Science SC Agriculture GA 019UZ UT WOS:000235863500011 ER PT J AU Garlea, VO Darie, C Isnard, O Bordet, P AF Garlea, VO Darie, C Isnard, O Bordet, P TI Synthesis and neutron powder diffraction structural analysis of oxidized delafossite YCuO2.5 SO SOLID STATE SCIENCES LA English DT Article DE delafossite; frustrated systems; sawtooth lattice; neutron diffraction; rietveld refinement ID SAWTOOTH LATTICE; CU2+ CATIONS; EXCITATIONS; PLANES; CHAIN AB We report a study of the evolution of the structure of the delafossite-derived compounds YCuO2+delta as a function of oxygen stoichiometry. The structural details of the oxygenated material YCuO2.5 were examined by means of high-resolution neutron powder diffraction. We confirmed that YCuO2.5 adopts an orthorhombic superstructure (a = root 3a(H), b = CH, c = 2a(H)) in which the anions are located at the center of corner-sharing triangles to form undulating chains of Cu2+ (s = 1/2), running along a-axis direction. (C) 2006 Elsevier SAS. All rights reserved. C1 Univ Grenoble 1, CNRS, Lab Cristallog, F-38042 Grenoble 9, France. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Phys, Ames, IA 50011 USA. RP Garlea, VO (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM garleao@ornl.gov RI D2B, Instrument/F-1072-2012; Garlea, Vasile/A-4994-2016 OI Garlea, Vasile/0000-0002-5322-7271 NR 14 TC 2 Z9 2 U1 2 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1293-2558 J9 SOLID STATE SCI JI Solid State Sci. PD MAY PY 2006 VL 8 IS 5 BP 457 EP 461 DI 10.1016/j.solidstatesciences.2005.12.003 PG 5 WC Chemistry, Inorganic & Nuclear; Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 037OO UT WOS:000237156600005 ER PT J AU Rosner, A Schmidt, EV Shyamala, G Maglione, JE Manner, CK Perkins, AS Gregg, JP Cardiff, RD AF Rosner, A. Schmidt, E. V. Shyamala, G. Maglione, J. E. Manner, C. K. Perkins, A. S. Gregg, J. P. Cardiff, R. D. TI Genotype-phenotype correlation in mouse models of human breast cancer SO STRAHLENTHERAPIE UND ONKOLOGIE LA English DT Meeting Abstract CT 12th Congress of the Deutschen-Gesellschaft-fur-Radioonkologie CY MAY 25-28, 2006 CL Dresden, GERMANY SP Deutsch Gesell Radioonkol C1 Tech Univ Dresden, Klin & Poliklin Strahlentherapie & Radioonkol, Med Fak Carl Gustav Carus, D-8027 Dresden, Germany. Harvard Univ, Massachusetts Gen Hosp, Sch Med, Hosp Canc Ctr, Cambridge, MA 02138 USA. Univ Calif Berkeley, Div Life Sci, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Univ Calif San Diego, Sch Med, Ctr Canc, Dept Med, La Jolla, CA 92093 USA. Yale Univ, Sch Med, Dept Pathol, New Haven, CT 06510 USA. Univ Calif Davis, Sch Med, Dept Pathol & Lab Med, Sacramento, CA 95817 USA. Univ Calif Davis, Sch Med, Ctr Comparat Med, Davis, CA 95616 USA. Univ Calif Davis, Sch Vet Med, Ctr Comparat Med, Davis, CA 95616 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU URBAN & VOGEL PI MUNICH PA NEUMARKTER STRASSE 43, D-81673 MUNICH, GERMANY SN 0179-7158 J9 STRAHLENTHER ONKOL JI Strahlenther. Onkol. PD MAY PY 2006 VL 182 SU 1 BP 92 EP 92 PG 1 WC Oncology; Radiology, Nuclear Medicine & Medical Imaging SC Oncology; Radiology, Nuclear Medicine & Medical Imaging GA 050ZB UT WOS:000238128700281 ER PT J AU Carr, C Espy, MA Urbaitis, AV Kraus, RH AF Carr, C Espy, MA Urbaitis, AV Kraus, RH TI An investigation of pinch welds using HTS SQUIDs SO SUPERCONDUCTOR SCIENCE & TECHNOLOGY LA English DT Article; Proceedings Paper CT 10th International Superconductive Electronics Conference (ISEC 2005) CY SEP 05-09, 2005 CL Noordwijkerhout, NETHERLANDS ID NONDESTRUCTIVE EVALUATION; MICROSCOPY AB To contain high-pressure gases inside a pressure vessel a seal is often made in a thin-walled tube, known as the stem tube, that connects the gas reservoir and the vessel. This seal can be achieved through the use of a resistance pinch weld that forms with only a limited amount of melting occurring. The lack of melting makes applying traditional post-weld nondestructive evaluation (NDE) techniques extremely difficult. The welds of interest here are made from 304L stainless steel (typically 3.8 mm diameter and 38 mm long) and have a non-uniform geometry that does not inherently lend itself to either eddy current or static field SQUID-based measurement techniques. We perform these NDE measurements with both the sample and the SQUID located inside local electromagnetic shielding. SQUID data are presented as individual time series traces for a set of welds that were fabricated using a broad range of fabrication parameters, and a comparison is made between the SQUID-based results and the known parameters. With the limited spatial resolution offered by our present SQUID system, it is not clear if weld quality can be evaluated from purely SQUID-based results. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Carr, C (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM carr@lanl.gov OI Urbaitis, Algis/0000-0002-8626-5987 NR 10 TC 1 Z9 1 U1 0 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0953-2048 J9 SUPERCOND SCI TECH JI Supercond. Sci. Technol. PD MAY PY 2006 VL 19 IS 5 BP S251 EP S256 DI 10.1088/0953-2048/19/5/S18 PG 6 WC Physics, Applied; Physics, Condensed Matter SC Physics GA 054VE UT WOS:000238405900019 ER PT J AU Ling, WL Hamilton, JC Thurmer, K Thayer, GE de la Figuera, J Hwang, RQ Carter, CB Bartelt, NC McCarty, KF AF Ling, WL Hamilton, JC Thurmer, K Thayer, GE de la Figuera, J Hwang, RQ Carter, CB Bartelt, NC McCarty, KF TI Herringbone and triangular patterns of dislocations in Ag, Au, and AgAu alloy films on Ru(0001) SO SURFACE SCIENCE LA English DT Article DE low-energy electron microscopy (LEEM); scanning tunneling microscopy; surface thermodynamics (including phase transitions); gold; silver; ruthenium; single crystal epitaxy; metal-metal interfaces ID SCANNING-TUNNELING-MICROSCOPY; METAL-METAL INTERFACES; SELF-ORGANIZED GROWTH; THIN CU FILMS; PT(111) RECONSTRUCTION; ELECTRONIC-STRUCTURE; STRAIN RELAXATION; EPITAXIAL-GROWTH; CRYSTAL-SURFACES; PHASE-TRANSITION AB We have studied the dislocation structures that occur in films of Ag, An, and Ago 5Au(0.5) alloy on a Ru(0001) substrate. Monolayer (ML) films form herringbone phases while films two or more layers thick contain triangular patterns of dislocations. We use scanning tunneling microscopy (STM) and low-energy electron diffraction (LEED) to determine how the film composition affects the structure and periodicity of these ordered structures. One layer of Ag forms two different herringbone phases depending oil the exact Ag coverage and temperature. Low-energy electron microscopy (LEEM) establishes that a reversible, first-order phase transition occurs between these two phases at a certain temperature. We critically compare our 1 ML Ag Structures to conflicting results from an X-ray scattering study [H. Zajonz et al.. Phys. Rev. B 67 (2003) 155417]. Unlike Ag, the herringbone phases of Au and AgAu alloy are independent of the exact film coverage. For two layer films in all three systems, none of the dislocations in the triangular networks thread into the second film layer. In all three systems. the in-plane atomic spacing of the second film layer is nearly the same as in the bulk. Film composition does, however, affect the details of the two layer structures. Ag and An films form interconnected networks of dislocations, which we refer to as "trigons." In 2 ML AgAu alloy, the dislocations form a different triangular network that shares features of both trigon and moire structures. Yet another well-ordered structure, with square symmetry, forms at the boundaries of translational trigon domains in 2 ML Ag films but not in Au films. (c) 2006 Elsevier B.V. All rights reserved. C1 Sandia Natl Labs, Livermore, CA 94550 USA. Univ Minnesota, Minneapolis, MN 55455 USA. RP McCarty, KF (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM mccarty@sandia.gov RI de la Figuera, Juan/E-7046-2010; McCarty, Kevin/F-9368-2012; Ling, Wai Li/F-9823-2012; Bartelt, Norman/G-2927-2012; Carter, C. Barry/E-6478-2010; Thurmer, Konrad/L-4699-2013 OI de la Figuera, Juan/0000-0002-7014-4777; McCarty, Kevin/0000-0002-8601-079X; Ling, Wai Li/0000-0002-4264-5750; Carter, C. Barry/0000-0003-4251-9102; Thurmer, Konrad/0000-0002-3078-7372 NR 65 TC 45 Z9 45 U1 0 U2 45 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 J9 SURF SCI JI Surf. Sci. PD MAY 1 PY 2006 VL 600 IS 9 BP 1735 EP 1757 DI 10.1016/j.susc.2006.01.055 PG 23 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 043QU UT WOS:000237617300006 ER PT J AU Montano, M Salmeron, M Somorjai, GA AF Montano, M Salmeron, M Somorjai, GA TI STM studies of cyclohexene hydrogenation/dehydrogenation and its poisoning by carbon monoxide on Pt(111) SO SURFACE SCIENCE LA English DT Article DE cyclohexene; platinum(111); hydrogenation; dehydrogenation; single crystal; poisoning; catalysis; scanning tunneling microscopy ID SCANNING-TUNNELING-MICROSCOPY; GENERATION VIBRATIONAL SPECTROSCOPY; HIGH-PRESSURE; ETHYLENE HYDROGENATION; CATALYTIC-REACTIONS; SURFACE; DEHYDROGENATION; CO; TEMPERATURE; HREELS AB A scanning tunneling microscope that can be operated in ultra high vacuum (< 10(-9) Torr) as well as at high pressures (1-10(3) Torr) has been utilized to study the structures formed by Cyclic C-6 hydrocarbons adsorbed on a platinum (111) crystal surface. Catalytic reactions of cyclohexene were also studied in the presence of hydrogen at pressures (up to 200 mTorr) and 300 K-350 K temperature range. Cyclohexane and cvclohexene produced the same adsorbed structure, which is attributed to the partially dehydrogenated pi-allyl (C6H9). 1,3-Cyclohexadiene produced structures similar to those produced by benzene. In contrast 1,4-cyclohexadiene forms a structure that we attribute to intact molecular 1.4-cyclohexadiene. During reaction the STM images appear disordered, indicative of rapid diffusion of surface species. Addition of 5 mTorr of CO stops the catalytic activity and forms an ordered structure on the surface. (c) 2006 Published by Elsevier B.V. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Somorjai, GA (reprint author), Univ Calif Berkeley, Dept Chem, D58 Hildebrand 1460, Berkeley, CA 94720 USA. EM maxmonta@uclink.berkeley.edu; somorjai@socrates.berkeley.edu NR 28 TC 29 Z9 29 U1 1 U2 22 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 J9 SURF SCI JI Surf. Sci. PD MAY 1 PY 2006 VL 600 IS 9 BP 1809 EP 1816 DI 10.1016/j.susc.2006.02.026 PG 8 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 043QU UT WOS:000237617300014 ER PT J AU Khan, NA Uhl, A Shaikhutdinov, S Freund, HJ AF Khan, N. A. Uhl, A. Shaikhutdinov, S. Freund, H. -J. TI Alumina supported model Pd-Ag catalysts: A combined STM, XPS, TPD and IRAS study SO SURFACE SCIENCE LA English DT Article DE XPS; STM; IRAS; bimetallic; palladium; silver; CO ID SELECTIVE HYDROGENATION; ABSORPTION SPECTROSCOPY; PALLADIUM PARTICLES; PD(111) SURFACES; CARBON-MONOXIDE; CO ADSORPTION; ACETYLENE; ALLOYS; ETHYLENE; BEHAVIOR AB The bimetallic Pd-Ag model catalysts were prepared by physical vapor deposition on thin alumina films. The morphology and structure of the Pd-Ag particles were studied by STM, XPS, and by TPD and IRAS of CO. The results showed the formation of true alloy particles with Ag segregated at the surface. The addition of Ag first suppresses the most strongly bonded CO on threefold hollow sites of Pd. With further increasing Ag coverage. only isolated Pd atoms surrounded by Ag atoms are likely present oil the surface. The results oil CO adsorption suggest that the model Pd-Ag system mimics the structure of the real Pd-Ag catalysts. (c) 2006 Elsevier B.V. All rights reserved. C1 Max Planck Gesell, Fritz Haber Inst, Dept Chem Phys, D-14195 Berlin, Germany. RP Khan, NA (reprint author), Natl Energy Technol Lab, 626 Cochrans Mill Rd, Pittsburgh, PA 15236 USA. EM Neetha.Khan@netl.doe.gov NR 35 TC 60 Z9 60 U1 4 U2 55 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 EI 1879-2758 J9 SURF SCI JI Surf. Sci. PD MAY 1 PY 2006 VL 600 IS 9 BP 1849 EP 1853 DI 10.1016/j.susc.2006.02.016 PG 5 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 043QU UT WOS:000237617300018 ER PT J AU Anderson, ML Bartelt, NC Feibelman, PJ Swartzentruber, BS Kellogg, GL AF Anderson, ML Bartelt, NC Feibelman, PJ Swartzentruber, BS Kellogg, GL TI The effect of embedded Pb on Cu diffusion on Pb/Cu(111) surface alloys SO SURFACE SCIENCE LA English DT Article DE scanning tunneling microscopy; low-energy electron microscopy; density functional calculations; surface diffusion; copper; lead; self-assembly ID TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; MOLECULAR-DYNAMICS; ULTRASOFT PSEUDOPOTENTIALS; CU(111); TRANSITION; SIMULATION; GROWTH; METALS AB We have used scanning tunneling microscopy and low-energy electron microscopy to measure the thermal decay of two-dimensional Cu, Pb-overlayer and Ph Cu alloy islands on Pb-Cu(111) surface alloys. Decay rates covering 6-7 orders of magnitude are accessible by applying the two techniques to the same system. We find that Cu adatom diffusion across the surface alloy is rate-limiting for the decay of both Pb and Pb-Cu islands on the surface alloy and that this rate decreases monotonically with increasing Ph concentration in the alloy. The decrease is attributed to repulsive interactions between Cu adatoms and embedded Pb atoms in the surface alloy. The measured temperature dependences of island decay rates are consistent with first-principles calculations of the Cu binding and diffusion energies related to this "site-blockin" effect. (c) 2006 Elsevier B.V. All rights reserved. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Sandia Natl Labs, Livermore, CA 94550 USA. RP Kellogg, GL (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM glkello@sandia.gov RI Bartelt, Norman/G-2927-2012 NR 28 TC 6 Z9 6 U1 1 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 J9 SURF SCI JI Surf. Sci. PD MAY 1 PY 2006 VL 600 IS 9 BP 1901 EP 1908 DI 10.1016/j.susc.2006.02.034 PG 8 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 043QU UT WOS:000237617300025 ER PT J AU de la Figuera, J Puerta, JM Cerda, JI El Gabaly, F McCarty, KF AF de la Figuera, J Puerta, JM Cerda, JI El Gabaly, F McCarty, KF TI Determining the structure of Ru(0001) from low-energy electron diffraction of a single terrace SO SURFACE SCIENCE LA English DT Article DE low-eneray electron diffraction (LEED); low-energy electron microscopy (LEEM); ruthenium; hydrogen; surface relaxation and reconstruction; hexagonal close packed surface ID SURFACE; RELAXATION; CU; MICROSCOPY; ADSORPTION; HYDROGEN; FILMS AB While a perfect hcp (0 0 0 1) surface has threefold symmetry, the diffraction patterns commonly obtained are sixfold symmetric. This apparent change in symmetry occurs because on a stepped surface, the atomic layers on adjacent terraces are rotated by 180'. Here we use a low-eneray electron microscope to acquire the threefold diffraction pattern from a single hcp Ru terrace and measure the intensity vs. energy curves for several diffracted beams. By means of multiple scattering calculations fitted to the experimental data with a Pendry R-factor of 0.077. we find that the surface is contracted by 3.5(+/- 0.9)% at 456 K. (c) 2006 Elsevier B.V. All rights reserved. C1 Univ Autonoma Madrid, Dept Fis Mat Condensada, Madrid 28049, Spain. Univ Autonoma Madrid, Ctr Microanal Mat, Madrid 28049, Spain. CSIC, Inst Ciencia Mat, E-28049 Madrid, Spain. Sandia Natl Labs, Livermore, CA 94551 USA. RP de la Figuera, J (reprint author), Univ Autonoma Madrid, Dept Fis Mat Condensada, Madrid 28049, Spain. EM juan.delafiguera@uam.es RI de la Figuera, Juan/E-7046-2010; Cerda, Jorge/F-4043-2010; McCarty, Kevin/F-9368-2012 OI de la Figuera, Juan/0000-0002-7014-4777; Cerda, Jorge/0000-0001-6176-0191; McCarty, Kevin/0000-0002-8601-079X NR 23 TC 36 Z9 36 U1 2 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 J9 SURF SCI JI Surf. Sci. PD MAY 1 PY 2006 VL 600 IS 9 BP L105 EP L109 DI 10.1016/j.suse.2006.02.027 PG 5 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 043QU UT WOS:000237617300002 ER PT J AU Anderson, DN Stromswold, DC Wunschel, SC Peurrung, AJ Hansen, RR AF Anderson, DN Stromswold, DC Wunschel, SC Peurrung, AJ Hansen, RR TI Detection and location of gamma-ray sources with a modulating coded mask SO TECHNOMETRICS LA English DT Article DE gamma-ray detection; homeland security; poisson ID UNIFORMLY REDUNDANT ARRAYS; APERTURE; IMAGES AB The detection of high-energy gamma-ray sources is vitally importanito national security for numerous reasons, particularly nuclear materials smuggling interdiction and threat detection. This article presents two methods of detecting and locating a concealed nuclear gamma-ray source by analyzing detector data of emissions that have been modulated with a coded mask. The advantages of each method, derived from a simulation study and experimental data, are discussed. Energetic gamma-rays readily penetrate moderate amounts of shielding material and can be detected at distances of many meters. Coded masks are spatial configurations of shielding material (e.g., small squares formed from plates of lead or tungsten) placed in front of a detector array to modulate the radiation distribution. A coded mask system provides improved detection through an increased signal-to-noise ratio. In a search scenario it is impossible to obtain a comparison background run without the presence of a potential concealed source. The developed analysis methods simultaneously estimate background and source emissions and thus provide the capability to detect and locate a concealed high-energy radiological source in near real time. An accurate source location estimate is critically important to expedite the investigation of a high-probability gamma-ray source. The experimental examples presented use a proof-of-concept coded mask system of a 4 x 4 array of NaI detectors directed at a gamma-ray source in a field-of-view roughly 4 m wide x 3 m high (approximately the size of the side panel of a small freight truck). Test results demonstrate that the correct location of a radiologic source could be determined in as little as 100 seconds when the source was 6 m from the detector. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Anderson, DN (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM dale.anderson@pnl.gov NR 16 TC 11 Z9 11 U1 1 U2 5 PU AMER STATISTICAL ASSOC PI ALEXANDRIA PA 1429 DUKE ST, ALEXANDRIA, VA 22314 USA SN 0040-1706 J9 TECHNOMETRICS JI Technometrics PD MAY PY 2006 VL 48 IS 2 BP 252 EP 261 DI 10.1198/004017005000000463 PG 10 WC Statistics & Probability SC Mathematics GA 044CW UT WOS:000237651000008 ER PT J AU Pan, GR Schaefer, DW AF Pan, GR Schaefer, DW TI Morphology and water-barrier properties of silane films on aluminum and silicon SO THIN SOLID FILMS LA English DT Article DE silane film; neutron reflectivity; water-barrier; interface ID ELECTROCHEMICAL IMPEDANCE SPECTROSCOPY; ALLOY-COATED STEEL; AA 2024-T3; TOF-SIMS; AL; REFLECTIVITY; ADSORPTION; XPS; ZN AB The goal of this study is to understand the effect of the substrate on the morphology and water-barrier properties of bis-silane films. Silane films are deposited on both Si and Al. Neutron reflectivity is used to assess the effect of hydrothermal conditioning on the films. Aluminum on silicon (no silane) was characterized first to facilitate understanding of the more complicated silane on Al-coated Si. A 200-angstrom Al layer with 55-angstrom oxide covers the surface of the silicon wafer. The reflectivity data show that water penetrates into the oxide layer. Silane films deposited on either Al or Si Substrates have similar bulk and top-surface morphology. Studies of silanes on Si wafers, therefore, can be generalized to include Al. The substrate-silane interface, however, does depend on both the substrate and the silane. Because pH of the bis-sulfur silane solution is outside of the stability range for Al2O3, dissolution of the thin oxide film occurs during solution deposition. A water-depletion area is formed at the interface region due to this reaction. (c) 2005 Elsevier B.V All rights reserved. C1 Univ Cincinnati, Dept Chem & Mat Engn, Cincinnati, OH 45221 USA. Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, Los Alamos, NM 87585 USA. RP Schaefer, DW (reprint author), Univ Cincinnati, Dept Chem & Mat Engn, Cincinnati, OH 45221 USA. EM dale.schaefer@uc.edu NR 21 TC 10 Z9 15 U1 2 U2 14 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0040-6090 J9 THIN SOLID FILMS JI Thin Solid Films PD MAY 1 PY 2006 VL 503 IS 1-2 BP 259 EP 267 DI 10.1016/j.tsf.2005.11.061 PG 9 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 027UG UT WOS:000236440500039 ER PT J AU Hinderliter, PM DeLorme, MP Kennedy, GL AF Hinderliter, PM DeLorme, MP Kennedy, GL TI Perfluorooctanoic acid: Relationship between repeated inhalation exposures and plasma PFOA concentration in the rat SO TOXICOLOGY LA English DT Article DE perfluorooctanoic acid; PFOA; inhalation exposure; pharmacokinetics; rat ID AMMONIUM PERFLUOROOCTANOATE; TOXICITY; SEX; ELIMINATION; BLOOD; SERUM AB A large database exists describing the pharmacokinetic behavior of perfluorooctanoic acid (PFOA) following oral exposure. The objective of this study was to examine the concentration- and time-dependence of the pharmacokinetics of inhaled PFOA in rat plasma to determine equivalent inhalation and oral (from literature values) exposure levels. The study was comprised of two separate experiments: a single 6-h inhalation exposure and repeated inhalation exposures for 3 weeks (6 h per day, 5 days per week). In both experiments, male and female rats were exposed nose-only to aerosol atmospheres of either 0, 1, 10, or 25 mg/m(3) PFOA. In the single exposure experiment, blood was drawn via the tail vein pre-exposure, four times concurrent to exposure, and six times post-exposure up to 24 h. In the repeated exposure experiment, blood was collected immediately before and after exposure 3 days per week. Plasma PFOA concentrations were quantitated by liquid chromatography-mass spectrometry (LC-MS). Following the single exposures, plasma PFOA concentrations were directly proportional to airborne concentrations in both male and female rats. Elimination of PFOA from the plasma was sex-dependent, with female rats eliminating PFOA much more rapidly than male rats. Following repeated PFOA exposure, there was little daily PFOA carryover observed in plasma samples from female rats, while males demonstrated an accumulative pattern over the 3-week period. Peak post-exposure PFOA plasma concentrations in female rats averaged 1, 2, and 4 mu g/mL when exposed to 1, 10, and 25 mg/m(3) PFOA, respectively, and returned to baseline levels by the time of the next pre-exposure sample collection. Male rats reached steady state plasma concentrations of 8, 21, and 36 mu g/mL (ppm) after 3 weeks of exposure to 1, 10, and 25 mg/m(3) PFOA, respectively. These results demonstrate that the pharmacokinetic properties of inhaled PFOA in male and female rats are similar to those observed in male and female rats following oral dosing with PFOA. It is thus possible to use this internal dose metric (plasma PFOA) for route-to-route dose extrapolation, with inhalation exposures of 1, 10, and 25 mg/m(3) PFOA corresponding to oral doses of approximately 0.3, 1.0, and 2.0 mg/kg in rats. (c) 2006 Elsevier Ireland Ltd. All rights reserved. C1 DuPont Haskell Lab Hlth & Environm Sci, Newark, DE 19711 USA. RP Hinderliter, PM (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999,MSIN P7 56, Richland, WA 99352 USA. EM paul.hinderliter@pnl.gov NR 17 TC 12 Z9 13 U1 1 U2 8 PU ELSEVIER IRELAND LTD PI CLARE PA ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND SN 0300-483X J9 TOXICOLOGY JI Toxicology PD MAY 1 PY 2006 VL 222 IS 1-2 BP 80 EP 85 DI 10.1016/j.tox.2006.01.029 PG 6 WC Pharmacology & Pharmacy; Toxicology SC Pharmacology & Pharmacy; Toxicology GA 041SC UT WOS:000237475000010 PM 16513238 ER PT J AU Timchalk, C Lin, Y Weitz, KK Wu, H Gies, RA Moore, DA Yantasee, W AF Timchalk, C Lin, Y Weitz, KK Wu, H Gies, RA Moore, DA Yantasee, W TI Disposition of lead (Pb) in saliva and blood of Sprague-Dawley rats following a single or repeated oral exposure to Pb-acetate SO TOXICOLOGY LA English DT Article DE lead; saliva; oral exposure; pharmacokinetics; rats ID RETENTION; SECRETION; EXCRETION; CHILDREN; MODEL AB Biological monitoring for lead (Pb) is usually based upon a determination of blood Pb concentration; however, saliva has been suggested as a non-invasive biological matrix for assessing exposure. To further evaluate the potential utility of saliva for biomonitoring, the disposition of Ph was evaluated in whole blood (WB), red blood cells (RBC), plasma, parotid gland, bone, and saliva following either a single oral dose of 100 mg Pb-acetate/kg body weight in rats or similar to 1-week after 5 sequential daily oral gavage doses of 1, 10,or 100 mg Pb-acetate/kg./day. Saliva volume, pH, total saliva protein, and alpha-amylase activity were also determined. At specified times post-dosing groups of animals were anesthetized and administered pilocarpine to induce salivation. Saliva was collected, the animals were humanely sacrificed, and tissue samples were likewise collected, weighed, and processed for Pb analysis. Following a single dose exposure to Pb-acetate, Ph was detectable in all samples by 30 min post-dosing. For both the single and repeated dose treatments the concentration of Pb was highest in WB and RBC relative to plasma and saliva. However, the Ph rapidly redistributed (within 5-days post-treatment) from the blood into the bone compartment based on the substantial decrease in WB and RBC Ph concentration, and the concurrent increase in bone Pb following repeated exposure at all dose levels. Although there is clear variability in the observed Pb concentrations in plasma and saliva, there was a reasonable correlation (r(2) = 0.922) between the average Pb concentrations in these biological matrices, which was consistent with previous observations. The single oral dose of Pb-acetate resulted in a decrease in salivary pH which recovered by 24 h post-dosing and a decrease in a-amylase enzyme activity which did recover within 5-days of ceasing exposure. It is currently unclear what impact these slight functional changes may or may not have on Ph salivary clearance rates. These results demonstrate a feasibility to rapidly detect Pb in saliva and suggest that saliva may correlate best with plasma Ph concentration. (c) 2006 Published by Elsevier Ireland Ltd. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Timchalk, C (reprint author), Pacific NW Natl Lab, 902 Batelle Blvd,POB 999, Richland, WA 99352 USA. EM charles.timchalk@pnl.gov RI Lin, Yuehe/D-9762-2011 OI Lin, Yuehe/0000-0003-3791-7587 FU NIEHS NIH HHS [1 R01 ES010976-01A2] NR 26 TC 9 Z9 10 U1 0 U2 5 PU ELSEVIER IRELAND LTD PI CLARE PA ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND SN 0300-483X J9 TOXICOLOGY JI Toxicology PD MAY 1 PY 2006 VL 222 IS 1-2 BP 86 EP 94 DI 10.1016/j.tox.2006.01.030 PG 9 WC Pharmacology & Pharmacy; Toxicology SC Pharmacology & Pharmacy; Toxicology GA 041SC UT WOS:000237475000011 PM 16510233 ER PT J AU Davis, MF Tuskan, GA Payne, P Tschaplinski, TJ Meilan, R AF Davis, MF Tuskan, GA Payne, P Tschaplinski, TJ Meilan, R TI Assessment of Populus wood chemistry following the introduction of a Bt toxin gene SO TREE PHYSIOLOGY LA English DT Article DE Bacillus thuringiensis; cell wall chemical composition; cottonwood; metabolic profiling; transgenes ID LEAF BEETLE COLEOPTERA; HERBACEOUS BIOMASS; LOBLOLLY-PINE; HYBRID POPLAR; CHRYSOMELIDAE; PYROLYSIS; LIGNIN AB Unintended changes in plant physiology, anatomy and metabolism as a result of genetic engineering are a concern as more transgenic plants are commercially deployed in the ecosystem. We compared the cell wall chemical composition of three Populus lines (Populus trichocarpa Torr. & A. Gray x Populus deltoides Bartr. ex Marsh., Populus trichocarpa x Populus nigra L. and Populus deltoides x Populus nigra) genetically modified to express the Cry3A or Cry3B2 protein of Bacillus thuringiensis (Bt) with the cell wall chemistry of non-transformed isogenic control lines. Three genetically modified clones, each represented by 10 independent transgenic lines, were analyzed by pyrolysis molecular beam mass spectrometry, gas chromatography/mass spectrometry and traditional wet chemical analytical methods to assess changes in cell wall composition. Based on the outcome of these techniques, there were no comprehensive differences in chemical composition between the transgenic and control lines for any of the studied clones. C1 Natl Renewable Energy Lab, Natl Ctr Bioenergy, Golden, CO 80401 USA. Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. Boise Cascade LLC, Boise Cottonwood Fiber Farm, Wallula, WA 99363 USA. Purdue Univ, Dept Forestry & Nat Resources, W Lafayette, IN 47907 USA. RP Davis, MF (reprint author), Natl Renewable Energy Lab, Natl Ctr Bioenergy, Golden, CO 80401 USA. EM mark_davis@nrel.gov RI Tuskan, Gerald/A-6225-2011; OI Tuskan, Gerald/0000-0003-0106-1289; Tschaplinski, Timothy/0000-0002-9540-6622; davis, mark/0000-0003-4541-9852 NR 29 TC 7 Z9 8 U1 1 U2 4 PU HERON PUBLISHING PI VICTORIA PA 202, 3994 SHELBOURNE ST, VICTORIA, BC V8N 3E2, CANADA SN 0829-318X J9 TREE PHYSIOL JI Tree Physiol. PD MAY PY 2006 VL 26 IS 5 BP 557 EP 564 PG 8 WC Forestry SC Forestry GA 040HK UT WOS:000237369400002 PM 16452069 ER PT J AU Tschaplinski, TJ Tuskan, GA Sewell, MM Gebre, GM Donald, ETI Pendleyi, C AF Tschaplinski, TJ Tuskan, GA Sewell, MM Gebre, GM Donald, ETI Pendleyi, C TI Phenotypic variation and quantitative trait locus identification for osmotic potential in an interspecific hybrid inbred F-2 poplar pedigree grown in contrasting environments SO TREE PHYSIOLOGY LA English DT Article DE dehydration tolerance; drought; osmotic adjustment; Populus deltoides; Populus trichocarpa; QTL; water potential ID WATER-STRESS; DROUGHT RESISTANCE; LOBLOLLY-PINE; LINKAGE MAPS; ADJUSTMENT; POPULUS; YIELD; WHEAT; OSMOREGULATION; ADAPTATION AB Elucidation of the mechanisms of dehydration tolerance in poplar (Populus sp.) trees will permit development of biochemical and molecular indicators to identify dehydration-tolerant genotypes during genetic selection. The objectives of this study were to characterize the degree of phenotypic variation in osmotic potential (a determinant of dehydration tolerance), determine the relationship between osmotic potential at full turgor and relative growth rate, and identify quantitative trait loci (QTL) for osmotic potential in an advanced-generation, interspecific poplar pedigree established in contrasting environments. A three-generation, sib-mated black cotton-wood (Populus trichocarpa Torr. & Gray) and eastern cotton-wood (P. deltoides Bartr.) segregating F-2 family (Family 331) was analyzed at a dry site east of the Cascade Mountain Range (Boardman, OR) and at a wet site west of the mountains (Clatskanie, OR). At the Boardman site, 2-year-old trees (59 clones) were either irrigated everyday (wet) or every other day (dry), whereas 3- and 4-year-old trees (58 clones) at the Clatskanie site were unirrigated. At the Boardman site, the typically narrow range of osmotic potentials exhibited by grandparents and parents was greatly expanded in the F-2 population, spanning from -1.38 to -2.35 MPa under wet conditions, with a similar range under dry conditions (-1.40 to -2.15 MPa). Clones that had osmotic potentials <= -1.90 MPa generally displayed full maintenance of stem relative growth rates under dry conditions in contrast to clones with osmotic potentials that were >= -1.60 MPa, in which stem relative growth rates were reduced by an average of 38% in the dry treatment relative to the wet treatment. Although osmotic adjustments of 0.13 to 0.36 MPa were observed in nine out of 59 clones, adjustment typically occurred from relatively high baseline osmotic potentials. The range in osmotic potential at the wetter Clatskanie site at age three was higher (-1.27 to -1.84 MPa) and was further expanded the following year (-1.14 to -1.94 MPa), which had a wetter spring than the previous year, followed by a typically dry July. Seven QTL for osmotic potential were identified that each explained > 7.5% of the variation in osmotic potential. Given that four clones (7%) had osmotic potentials of -2.00 MPa or less and that QTL for osmotic potential have been identified, we suggest that there are opportunities to extend the limit of dehydration tolerance in Populus. C1 Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Tschaplinski, TJ (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM t2t@ornl.ogv RI Tuskan, Gerald/A-6225-2011; OI Tuskan, Gerald/0000-0003-0106-1289; Tschaplinski, Timothy/0000-0002-9540-6622 NR 39 TC 31 Z9 34 U1 1 U2 9 PU HERON PUBLISHING PI VICTORIA PA 202, 3994 SHELBOURNE ST, VICTORIA, BC V8N 3E2, CANADA SN 0829-318X J9 TREE PHYSIOL JI Tree Physiol. PD MAY PY 2006 VL 26 IS 5 BP 595 EP 604 PG 10 WC Forestry SC Forestry GA 040HK UT WOS:000237369400006 PM 16452073 ER PT J AU Mullins, E Milbourne, D Petti, C Doyle-Prestwich, BM Meade, C AF Mullins, E Milbourne, D Petti, C Doyle-Prestwich, BM Meade, C TI Potato in the age of biotechnology SO TRENDS IN PLANT SCIENCE LA English DT Review ID LATE BLIGHT RESISTANCE; AGROBACTERIUM-MEDIATED TRANSFORMATION; PLASTIDIC ATP/ADP-TRANSPORTER; BROAD-SPECTRUM RESISTANCE; QUANTITATIVE TRAIT LOCI; SOLANUM-TUBEROSUM L.; TRANSGENIC POTATO; GENE-TRANSFER; PHYTOPHTHORA-INFESTANS; PARTICLE BOMBARDMENT AB Biotechnology-based tools are now widely used to enhance and expand the traditional remit of potato in food production. By modifying its functionality, the capacity of the potato to produce, for example, therapeutic or industrial compounds is now a reality, and its ability to resist disease can also be radically improved. Two developments have been crucial to expanding the role of potato: the recent advances in the fields of structural and functional potato genomics and the ability to integrate genes of interest into the potato genome. In this review we discuss how both developments have diversified the remit of this crop. C1 TEAGASC, Crops Res Ctr, Plant Biotechnol Unit, Carlow, Ireland. Natl Univ Ireland Univ Coll Cork, Dept Zool Ecol & Plant Sci, Cork, Ireland. Natl Univ Ireland, Inst Agroecol & Bioengn, Maynooth, Kildare, Ireland. RP Mullins, E (reprint author), TEAGASC, Crops Res Ctr, Plant Biotechnol Unit, Carlow, Ireland. EM emullins@oakpark.teagasc.ie OI Milbourne, Dan/0000-0002-8323-6195; Mullins, Ewen/0000-0003-3005-4264 NR 74 TC 38 Z9 47 U1 3 U2 26 PU ELSEVIER SCIENCE LONDON PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 1360-1385 J9 TRENDS PLANT SCI JI Trends Plant Sci. PD MAY PY 2006 VL 11 IS 5 BP 254 EP 260 DI 10.1016/j.tplants.2006.03.002 PG 7 WC Plant Sciences SC Plant Sciences GA 050TV UT WOS:000238112400009 PM 16621672 ER PT J AU Oostrom, M Dane, JH Wietsma, TW AF Oostrom, M Dane, JH Wietsma, TW TI A review of multidimensional, multifluid intermediate-scale experiments: Nonaqueous phase liquid dissolution and enhanced remediation SO VADOSE ZONE JOURNAL LA English DT Review ID SATURATED POROUS-MEDIA; DENSITY-MODIFIED DISPLACEMENT; SOURCE ZONE REMEDIATION; SITU CHEMICAL OXIDATION; LOW PERMEABILITY LENSES; SOIL VAPOR EXTRACTION; DNAPL SOURCE ZONE; FINER SAND MEDIA; MASS-TRANSFER; AQUIFER REMEDIATION AB A review is presented of original multidimensional, intermediate-scale experiments involving NAPLs (nonaqueous phase liquids). The experimental approach at this scale can be viewed as an important intermediary between column studies and field trials. The primary advantage of intermediate-scale flow cell experiments is that field-scale processes can be simulated under controlled conditions. The experiments are frequently conducted to provide data sets to test and verify numerical and analytical flow and transport models. The controlled setting and laboratory instrumentation reduces the uncertainty in parameter estimation, allowing comparisons between simulation and experimental results to focus on flow and transport processes. A total of about 125 original contributions were identified and reviewed. Depending on the main topic of NAPL experimental research, the papers were divided into the following sections: (i) aqueous dissolution, (ii) enhanced remediation, (iii) flow behavior, (iv) quantification, and (v) imaging. In this review, the first two categories are discussed and suggestions for future research are provided. In a companion review, experimental work related to the other three categories is investigated. The aqueous dissolution category includes experiments in which pooled and entrapped NAPL removal occurs due to water flushing. The enhanced remediation section contains experimental contributions investigating surfactant flushing, alcohol flushing, surfactant and alcohol flushing combinations, dense brine strategies, hydraulic NAPL recovery, soil vapor extraction, air sparging, heat-based remediation, bioremediation, and other techniques. C1 Pacific NW Natl Lab, Environm Technol Div, Richland, WA 99352 USA. Auburn Univ, Dept Agron & Soils, Auburn, AL 36849 USA. Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Oostrom, M (reprint author), Pacific NW Natl Lab, Environm Technol Div, POB 999,MS K9-33, Richland, WA 99352 USA. EM mart.oostrom@pnl.gov NR 118 TC 22 Z9 25 U1 3 U2 27 PU SOIL SCI SOC AMER PI MADISON PA 677 SOUTH SEGOE ROAD, MADISON, WI 53711 USA SN 1539-1663 J9 VADOSE ZONE J JI Vadose Zone J. PD MAY PY 2006 VL 5 IS 2 BP 570 EP 598 DI 10.2136/vzj2005.0125 PG 29 WC Environmental Sciences; Soil Science; Water Resources SC Environmental Sciences & Ecology; Agriculture; Water Resources GA 047ZF UT WOS:000237916500006 ER PT J AU Birkholzer, JT Zhang, YQ AF Birkholzer, JT Zhang, YQ TI The impact of fracture-matrix interaction on thermal-hydrological conditions in heated fractured rock SO VADOSE ZONE JOURNAL LA English DT Article ID TRANSPORT; FLOW; SEEPAGE; MODEL; BEHAVIOR; MEDIA; WATER; TERM AB Dual-continuum models have been widely used in modeling flow and transport in fractured porous rocks. Among many other applications, dual-continuum approaches were used in predictive models of the thermal-hydrological conditions near emplacement tunnels (drifts) at Yucca Mountain, NV, the proposed site for a radioactive waste repository in the USA. In unsaturated formations such as those at Yucca Mountain, the magnitude of mass and heat exchange between the two continua-fracture network and rock matrix-depends on the small-scale flow characteristics in the fractures, because channelized finger-type flow strongly reduces the interface area between the matrix surfaces and the flowing liquid. This effect may have important implications, for example, during the time period that the fractured rock near the repository drifts would be heated above the boiling point of water. Depending on the magnitude of heat transfer from the matrix, water percolating down the fractures will either boil off in the rock region above drifts or may penetrate all the way to the drift walls and possibly seep into the open cavities. In this study, we conducted a sensitivity analysis using different approaches to treat fracture matrix interaction in a three-dimensional dual-continuum setting. Our simulation example was a laboratory heater experiment described in the literature that provides evidence of rapid water flow in fractures, leading to seepage into the heater hole despite above-boiling conditions in the adjacent fractured rock. We showed that the experimental finding can only be reproduced when the interface area for heat transfer between the matrix and fracture continua is reduced to account for flow channeling. Our analysis also suggests that the conditions in the laboratory experiment are unique and not representative of the expected thermal-hydrological conditions near emplacement drifts at Yucca Mountain. C1 Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Birkholzer, JT (reprint author), Ernest Orlando Lawrence Berkeley Natl Lab, 1 Cyclotron Rd,MS 90-1116, Berkeley, CA 94720 USA. EM jtbirkholzer@lbl.gov RI Birkholzer, Jens/C-6783-2011; Zhang, Yingqi/D-1203-2015 OI Birkholzer, Jens/0000-0002-7989-1912; NR 33 TC 3 Z9 3 U1 0 U2 5 PU SOIL SCI SOC AMER PI MADISON PA 677 SOUTH SEGOE ROAD, MADISON, WI 53711 USA SN 1539-1663 J9 VADOSE ZONE J JI Vadose Zone J. PD MAY PY 2006 VL 5 IS 2 BP 657 EP 672 DI 10.2136/vzj2005.0071 PG 16 WC Environmental Sciences; Soil Science; Water Resources SC Environmental Sciences & Ecology; Agriculture; Water Resources GA 047ZF UT WOS:000237916500012 ER PT J AU Khaleel, R Saripalli, KP AF Khaleel, R Saripalli, KP TI An air-water interfacial area based variable tortuosity model for unsaturated sands SO VADOSE ZONE JOURNAL LA English DT Article ID SATURATED POROUS-MEDIA; HYDRAULIC CONDUCTIVITY; LIGHT TRANSMISSION; LIQUID SATURATION; IMMISCIBLE FLUIDS; SURFACE-AREA; PREDICTION; SYSTEMS; SOILS AB A new variable tortuosity definition is introduced that is based on the immiscible fluid (air-water) interfacial area. Unsaturated media tortuosity (tau(a)) is defined as the ratio of a(aw) to a(aw,o) where a(aw) is the estimated air-water interfacial area in a real unsaturated medium (i.e., a soil sample), and a(aw,o) is the same variable for the corresponding, idealized capillary bundle. The air-water interfacial area for both real and idealized media is directly proportional to the area under their respective retention curves. With tau being the saturated tortuosity, we relate the variable tortuosity ratio (tau/tau(a)) to the S-e(epsilon) term in Mualem's (epsilon = 0.5) and Burdine's (epsilon = 2) pore-size distribution models. Thus, instead of using tortuosity and pore connectivity formulations, which have empirical exponents of either 0.5 or 2, the new model depends on a variable interfacial area for varying saturation and soil texture, as reflected in the measured retention data. We tested the new definition of tortuosity to predict unsaturated hydraulic conductivity, K, as a function of volumetric moisture content, theta, for 22 repacked Hanford sediments that are comprised of mostly coarse and fine sands but some also contain a sizeable fraction (as high as 27%) of fines (silt and clay). Replacing the S-e(e) term in van Genuchten-Mualem (VGM) model by the tortuosity ratio tau/tau(a), and still using saturated hydraulic conductivity and moisture retention parameters as used in the conventional approach, we obtained tau(a)-based K(theta) predictions that are nearly identical to the conventional VGM model predictions. We also compared the tau(a)-based K(theta) predictions with the standard Brooks-Corey-Burdine (BCB) model predictions. In comparison to the VGM model predictions, tau(a)-based BCB K(theta) predictions appear to be less biased relative to the measured K for the coarse-textured samples. C1 Fluor Govt Grp, Richland, WA 99352 USA. Pacific NW Natl Lab, Richland, WA 99354 USA. RP Khaleel, R (reprint author), Fluor Govt Grp, POB 1050, Richland, WA 99352 USA. EM raziuddin_khaleel@rl.gov NR 41 TC 3 Z9 3 U1 2 U2 9 PU SOIL SCI SOC AMER PI MADISON PA 677 SOUTH SEGOE ROAD, MADISON, WI 53711 USA SN 1539-1663 J9 VADOSE ZONE J JI Vadose Zone J. PD MAY PY 2006 VL 5 IS 2 BP 764 EP 776 DI 10.2136/vzj2005.0129 PG 13 WC Environmental Sciences; Soil Science; Water Resources SC Environmental Sciences & Ecology; Agriculture; Water Resources GA 047ZF UT WOS:000237916500022 ER PT J AU Saripalli, KP Freedman, VL McGrail, BP Meyer, PD AF Saripalli, KP Freedman, VL McGrail, BP Meyer, PD TI Characterization of the specific solid-water interfacial area-water saturation relationship and its import to reactive transport SO VADOSE ZONE JOURNAL LA English DT Article ID POROUS-MEDIA; CAPILLARY-PRESSURE; PORE; RETENTION; MODEL AB A modified rate equation for the dissolution of minerals in the unsaturated zone was proposed using a specific solid-water interfacial area (a(sw)) varying as a function of water saturation (S-w). Vadose zone phenomena, such as infiltration, were discussed as example scenarios where such reformulation may be useful. A constitutive relationship for the a(sw)-S-w was derived, and used to formulate an approximate model of the proposed rate equation. Implementation of this new model in the reactive transport code CRUNCH was used to evaluate the influence of a changing asw on reactive transport behavior of silica in the vadose zone. These simulations clearly demonstrate that a changing a(sw) can have a significant impact on the silica distribution profiles in the vadose zone. This is to be expected because changes in a(sw) are substantial in the dry S-w range, whereas they are only moderate in the relatively wet region. These findings have significant implications for contaminant transport in the vadose zone, especially in arid regions. Ignoring the effect of a changing a(sw) is likely to result in an overestimation of the net contaminant fluxes in these cases, which leads to highly conservative risk assessments. In case of nutrient flux calculations coupled with dissolution phenomena, it may lead to an overestimation of nutrient availability. Additional theoretical and experimental verification of the proposed models would be valuable. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Saripalli, KP (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM prasad.saripalli@pnl.gov NR 27 TC 3 Z9 3 U1 0 U2 0 PU SOIL SCI SOC AMER PI MADISON PA 677 SOUTH SEGOE ROAD, MADISON, WI 53711 USA SN 1539-1663 J9 VADOSE ZONE J JI Vadose Zone J. PD MAY PY 2006 VL 5 IS 2 BP 777 EP 783 DI 10.2136/vzj2005.0145 PG 7 WC Environmental Sciences; Soil Science; Water Resources SC Environmental Sciences & Ecology; Agriculture; Water Resources GA 047ZF UT WOS:000237916500023 ER PT J AU Mattson, ED Baker, KE Palmer, CD Breckenridge, CR Svoboda, JM Smith, RW AF Mattson, ED Baker, KE Palmer, CD Breckenridge, CR Svoboda, JM Smith, RW TI A flexible water content probe for unsaturated soil column experiments SO VADOSE ZONE JOURNAL LA English DT Article AB A commercially available soil moisture probe was modified by replacing rigid electrode waveguides with flexible electrode traces that can be attached to the interior of soil column walls. This new design minimizes soil packing difficulties and potential bias in water and solute flow pathways commonly associated with rigid probe installations in column experiments. Tests demonstrated that the modified flexible electrode design maintains a voltage response that is proportional to the electrode trace length and is reduced by approximately one-half when only one side of the electrode trace is in contact with the soil media. Laboratory experiments confirmed that the longer electrode traces attached to the interior of a column wall have a comparable sensitivity of that of a commercially available rigid probe inserted horizontally across the diameter of a soil column. The replacement of the rigid electrode with a flexible electrode offers an improved method of measuring the water content in solute transport experiments while minimizing sensor intrusion into laboratory soil columns. C1 Idaho Natl Engn Lab, Dept Geosci, Idaho Falls, ID 83415 USA. Idaho Natl Engn Lab, Dept Biol Sci, Idaho Falls, ID 83415 USA. Idaho Natl Engn Lab, Informat & Commun Syst Dept, Idaho Falls, ID 83415 USA. Univ Idaho, Dept Biol & Agr Engn, Idaho Falls, ID 83415 USA. RP Mattson, ED (reprint author), Idaho Natl Engn Lab, Dept Geosci, Idaho Falls, ID 83415 USA. EM earl.mattson@inl.gov OI Mattson, Earl/0000-0002-2616-0008 NR 13 TC 2 Z9 2 U1 0 U2 4 PU SOIL SCI SOC AMER PI MADISON PA 677 SOUTH SEGOE ROAD, MADISON, WI 53711 USA SN 1539-1663 J9 VADOSE ZONE J JI Vadose Zone J. PD MAY PY 2006 VL 5 IS 2 BP 805 EP 808 DI 10.2136/vzj2006.0139 PG 4 WC Environmental Sciences; Soil Science; Water Resources SC Environmental Sciences & Ecology; Agriculture; Water Resources GA 047ZF UT WOS:000237916500026 ER PT J AU Gee, GW Benson, CH Albright, WH AF Gee, GW Benson, CH Albright, WH TI Comment on "Evaluation of evapotranspirative covers for waste containment in arid and semiarid regions in the southwestern USA'' SO VADOSE ZONE JOURNAL LA English DT Editorial Material ID FLOW; BARRIERS; SOILS C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Univ Wisconsin, Madison, WI USA. Univ Nevada, Desert Res Inst, Reno, NV 89506 USA. RP Gee, GW (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM glendon.gee@pnl.gov NR 16 TC 7 Z9 7 U1 1 U2 4 PU SOIL SCI SOC AMER PI MADISON PA 677 SOUTH SEGOE ROAD, MADISON, WI 53711 USA SN 1539-1663 J9 VADOSE ZONE J JI Vadose Zone J. PD MAY PY 2006 VL 5 IS 2 BP 809 EP 812 DI 10.2136/vzj2005.0090 PG 4 WC Environmental Sciences; Soil Science; Water Resources SC Environmental Sciences & Ecology; Agriculture; Water Resources GA 047ZF UT WOS:000237916500027 ER PT J AU Scanlon, BR Reedy, RC Dwyer, KE Dwyer, SF AF Scanlon, BR Reedy, RC Dwyer, KE Dwyer, SF TI Response to "Comment on 'Evaluation of evapotranspirative covers for waste containment in arid and semiarid regions in the southwestern USA'" SO VADOSE ZONE JOURNAL LA English DT Editorial Material ID CLIMATE MODELS; WATER-BALANCE; BARRIERS C1 Univ Texas, Jackson Sch Geosci, Bur Econ Geol, Austin, TX 78758 USA. US DOE, Sandia Natl Lab, Albuquerque, NM 87185 USA. RP Scanlon, BR (reprint author), Univ Texas, Jackson Sch Geosci, Bur Econ Geol, Austin, TX 78758 USA. EM bridget.scanlon@beg.utexas.edu RI Scanlon, Bridget/A-3105-2009 OI Scanlon, Bridget/0000-0002-1234-4199 NR 9 TC 1 Z9 1 U1 0 U2 3 PU SOIL SCI SOC AMER PI MADISON PA 677 SOUTH SEGOE ROAD, MADISON, WI 53711 USA SN 1539-1663 J9 VADOSE ZONE J JI Vadose Zone J. PD MAY PY 2006 VL 5 IS 2 BP 813 EP 814 DI 10.2136/vzj2006.0010 PG 2 WC Environmental Sciences; Soil Science; Water Resources SC Environmental Sciences & Ecology; Agriculture; Water Resources GA 047ZF UT WOS:000237916500028 ER PT J AU Hand, MM Robinson, MC Balas, MJ AF Hand, MM Robinson, MC Balas, MJ TI Wind turbine response to parameter variation of analytic inflow vortices SO WIND ENERGY LA English DT Article DE vortex; modelling; coherent turbulence; stable boundary layer ID LOW-LEVEL JET AB As larger wind turbines are placed on taller towers, rotors frequently operate in atmospheric conditions that support organized, coherent turbulent structures. It is hypothesized that these structures have a detrimental impact on the blade fatigue life experienced by the wind turbine. These structures are extremely difficult to identify with sophisticated anemometry such as ultrasonic anemometers. This study was performed to identify the vortex characteristics that contribute to high-amplitude cyclic blade loads, assuming that these vortices exist under certain atmospheric conditions. This study does not attempt to demonstrate the existence of these coherent turbulent structures. In order to ascertain the idealized worst-case scenario for vortical inflow structures impinging on a wind turbine rotor, we created a simple, analytic vortex model. The Rankine vortex model assumes that the vortex core undergoes solid body rotation to avoid a singularity at the vortex centre and is surrounded by a two-dimensional potential flow held. Using the wind turbine as a sensor and the FAST wind turbine dynamics code with limited degrees of freedom, we determined the aerodynamic loads imported to the wind turbine by the vortex structure. We varied the size, strength, rotational direction, plane of rotation, and location of the vortex over a wide range of operating parameters. We identified the vortex conformation with the most significant effect on the blade root bending moment cyclic amplitude. Vortices with radii on the scale of the rotor diameter or smaller caused blade root bending moment cyclic amplitudes that contribute to high damage density. The rotational orientation, clockwise or counter-clockwise, produces little difference in the bending moment response. Vortices in the XZ plane produce bending moment amplitudes significantly greater than vortices in the YZ plane. Published in 2005 by John Wiley & Sons, Ltd. C1 Natl Renewable Energy Lab, Natl Wind Technol Ctr, Golden, CO 80401 USA. Univ Wyoming, Laramie, WY 82071 USA. RP Hand, MM (reprint author), Natl Renewable Energy Lab, Natl Wind Technol Ctr, 1617 Cole Blvd,MS 3811, Golden, CO 80401 USA. EM maureen_hand@nrel.gov NR 22 TC 1 Z9 2 U1 0 U2 0 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 1095-4244 J9 WIND ENERGY JI Wind Energy PD MAY-JUN PY 2006 VL 9 IS 3 BP 267 EP 280 DI 10.1002/we.170 PG 14 WC Energy & Fuels; Engineering, Mechanical SC Energy & Fuels; Engineering GA 054LB UT WOS:000238377100006 ER PT J AU Du, XJ Xiao, Y Chen, HH Wu, QS AF Du, XJ Xiao, Y Chen, HH Wu, QS TI Secure cell relay routing protocol for sensor networks SO WIRELESS COMMUNICATIONS & MOBILE COMPUTING LA English DT Article DE secure routing; sensor networks AB Past researches on sensor network routing have been focused on efficiency and effectiveness of data dissemination. Few of them consider security issues during the design time of routing protocols. Security is very important for many sensor network applications. Studies and experiences have shown that considering security during design time is the best way to provide security for sensor network routing. In this paper, we propose an efficient key management scheme and a novel secure routing protocol-Secure cell relay (SCR) for sensor networks. We also present an effective key setup scheme for sensor nodes deployed in the later stage. We analyze the security of SCR under various attacks and show that SCR is very effective in defending against several sophisticated attacks, including selective forwarding, sinkhole, wormhole, Sybil, hello flooding, and clone attacks. SCR is an energy-efficient routing protocol with acceptable security overhead. Our simulations demonstrate that with all the security primitives, SCR still has lower energy consumption and higher delivery ratio than a popular routing protocol-directed diffusion. Copyright (c) 2006 John Wiley & Sons, Ltd. C1 N Dakota State Univ, Dept Comp Sci, Fargo, ND 58105 USA. Univ Memphis, Dept Comp Sci, Memphis, TN 38152 USA. Natl Sun Yat Sen Univ, Inst Commun Engn, Kaohsiung, Taiwan. Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. RP Du, XJ (reprint author), N Dakota State Univ, Dept Comp Sci, 258 IACC,A2 Fargo, Fargo, ND 58105 USA. EM Xiaojiang.Du@ndsu.edu NR 30 TC 10 Z9 10 U1 0 U2 0 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 1530-8669 J9 WIREL COMMUN MOB COM JI Wirel. Commun. Mob. Comput. PD MAY PY 2006 VL 6 IS 3 BP 375 EP 391 DI 10.1002/wcm.402 PG 17 WC Computer Science, Information Systems; Engineering, Electrical & Electronic; Telecommunications SC Computer Science; Engineering; Telecommunications GA 047WY UT WOS:000237910600010 ER PT J AU Phipps, C Luke, J Funk, D Moore, D Glownia, J Lippert, T AF Phipps, C Luke, J Funk, D Moore, D Glownia, J Lippert, T TI Laser impulse coupling at 130 fs SO APPLIED SURFACE SCIENCE LA English DT Article; Proceedings Paper CT Symposium on Advances in Laser and Lamp Processing of Functional Materials CY MAY 31-JUN 03, 2005 CL Strasbourg, FRANCE SP Quantel, Laser 2000, Excel Technol, Irepa Laser, Spectra Phys, Surface DE femtosecond; laser momentum coupling; lithium; tungsten; gold; optimum coupling fluence; ion time of flight ID ION EMISSION; ABLATION; TARGETS AB We measured the momentum coupling coefficient C-m and laser-generated ion drift velocity and temperature in the femtosecond (fs) region, over a laser intensity range from ablation threshold to about one hundred times threshold. Targets were several pure metals and three organic compounds. The organic compounds were exothermic polymers specifically developed for the micro-laser plasma thruster, and two of these used "tuned absorbers" rather than carbon particles for laser absorption. The metals ranged from Li to W in atomic weight. We measured time of flight (TOF) profiles for ions. Specific impulse reached record values for this type of measurement and ablation efficiency was near 100%. These measurements extend the laser pulsewidth three orders of magnitude downward in pulsewidth relative to previous reports. Over this range, we found C-m to be essentially constant. Ion velocity ranged from 60 to 180 km/s. (c) 2005 Elsevier B.V. All rights reserved. C1 Photon Associates, Santa Fe, NM 87508 USA. NMT Inst Engn Res & Applicat, Albuquerque, NM 87106 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Paul Scherrer Inst, CH-5232 Villigen, Switzerland. RP Phipps, C (reprint author), Photon Associates, 200A Ojo Vaca Rd, Santa Fe, NM 87508 USA. EM crphipps@aol.com RI Lippert, Thomas/N-2423-2016 NR 16 TC 36 Z9 38 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0169-4332 J9 APPL SURF SCI JI Appl. Surf. Sci. PD APR 30 PY 2006 VL 252 IS 13 BP 4838 EP 4844 DI 10.1016/j.apsusc.2005.07.079 PG 7 WC Chemistry, Physical; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA 057VL UT WOS:000238623200097 ER PT J AU Szailer, T Kwak, JH Kim, DH Szanyi, J Wang, CM Peden, CHF AF Szailer, T Kwak, JH Kim, DH Szanyi, J Wang, CM Peden, CHF TI Effects of Ba loading and calcination temperature on BaAl2O4 formation for BaO/Al2O3 NOx storage and reduction catalysts SO CATALYSIS TODAY LA English DT Article; Proceedings Paper CT 19th Meeting of the North-American-Catalysis-Society (NAM) CY MAY 22-27, 2005 CL Philadelphia, PA SP N Amer Catalysis Soc DE BaO/Al2O3; NOx storage/reduction; catalyst morphology ID FT-IR; ADSORPTION AB The effect of thermal treatment on the structure and chemical properties of Ba-oxide-based NOx storage/reduction catalysts with different Ba loadings was investigated using BET, TEM, EDS, TPD and FT-IR techniques. On the basis of the present and previously reported results, we propose that moderate ( 8 wt.% BaO), small (similar to 5 nm) particles of 'bulk' BaO are present on top of the one ML BaO/Al2O3 surface. We did not observe any detectable morphological changes upon higher temperature thermal treatment of 2 and 8 wt.% BaO/Al2O3 samples, while dramatic changes occurred for the 20 wt.% sample. In this latter case, the transformations included BaAl2O4 formation at the expense of the bulk BaO phase. In particular, we conclude that the surface (ML) BaO phase is quite stable against thermal treatment, while the bulk phase provides the source of Ba for BaAl2O4 formation. (c) 2006 Elsevier B.V. All rights reserved. C1 Pacific NW Natl Lab, Inst Interfacial Catalysis, Richland, WA 99352 USA. Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Peden, CHF (reprint author), Pacific NW Natl Lab, Inst Interfacial Catalysis, POB 999,MSIN K8-93, Richland, WA 99352 USA. EM chuck.peden@pnl.gov RI Kwak, Ja Hun/J-4894-2014; Kim, Do Heui/I-3727-2015; OI Peden, Charles/0000-0001-6754-9928 NR 10 TC 54 Z9 54 U1 0 U2 19 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5861 J9 CATAL TODAY JI Catal. Today PD APR 30 PY 2006 VL 114 IS 1 BP 86 EP 93 DI 10.1016/j.cattod.2006.02.016 PG 8 WC Chemistry, Applied; Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA 035LO UT WOS:000237002700011 ER PT J AU Tonkyn, RG Disselkamp, RS Peden, CHF AF Tonkyn, RG Disselkamp, RS Peden, CHF TI Nitrogen release from a NOx storage and reduction catalyst SO CATALYSIS TODAY LA English DT Article; Proceedings Paper CT 19th Meeting of the North-American-Catalysis-Society (NAM) CY MAY 22-27, 2005 CL Philadelphia, PA SP N Amer Catalysis Soc DE NOx trap; storage/reduction; nitrogen balance; lean-rich cycling; diesel emissions ID STORAGE/REDUCTION CATALYSTS; ENGINE; OXIDES AB In a NOx storage and reduction (NSR) catalyst, the release and reduction of NOx occurs over a very short period. The speed of the NO, release and reduction creates difficulties in analyzing the chemistry using normal analytical techniques, which are typically better suited to slower, steady-state studies. We have investigated the time dependence of NO, NO2, NH3, N2O and N-2 released by an NSR catalyst using a combination of FT-IR and gas chromatographic techniques. Nitrogen was detected with the GC by using He rather than N-2 as the background gas. The FT-IR was used not only to monitor NO, NO2, NH3 and N2O, but also to establish cycle-to-cycle reproducibility. Under these conditions we used the GC to sample the effluent at multiple times over many lean-rich cycles. To the extent that the chemistry was truly periodic and reproducible, we obtained the time dependence of the release of nitrogen after the lean-to-rich transition. Similar information was obtained for O-2, H-2 and N2O, Combining the FT-IR and GC data, we obtained good cycle averaged nitrogen balances, indicating that all the major products were accounted for. (c) 2006 Elsevier B.V. All rights reserved. C1 Pacific NW Natl Lab, Inst Interfacial Catalysis, Richland, WA 99352 USA. RP Tonkyn, RG (reprint author), Pacific NW Natl Lab, Inst Interfacial Catalysis, POB 999,MS K8-88, Richland, WA 99352 USA. EM rg.tonkyn@pnl.gov OI Peden, Charles/0000-0001-6754-9928 NR 16 TC 19 Z9 19 U1 1 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5861 J9 CATAL TODAY JI Catal. Today PD APR 30 PY 2006 VL 114 IS 1 BP 94 EP 101 DI 10.1016/j.cattod.2006.02.005 PG 8 WC Chemistry, Applied; Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA 035LO UT WOS:000237002700012 ER PT J AU Choi, JS Partridge, WP Epling, WS Currier, NW Yonushonis, TM AF Choi, JS Partridge, WP Epling, WS Currier, NW Yonushonis, TM TI Intra-channel evolution of carbon monoxide and its implication on the regeneration of a monolithic Pt/K/Al2O3 NOx storage-reduction catalyst SO CATALYSIS TODAY LA English DT Article; Proceedings Paper CT 19th Meeting of the North-American-Catalysis-Society (NAM) CY MAY 22-27, 2005 CL Philadelphia, PA SP N Amer Catalysis Soc DE NOx storage-reduction catalyst; lean NOx trap; NOx adsorber catalyst; Pt/K/Al2O3; monolith; regeneration; carbon monoxide; exotherm; water-gas shift reaction; intra-channel measurement ID PT-RH/BA/AL2O3; ENGINES AB Understanding how a reductant evolves and is utilized during regeneration of NO, storage-reduction catalyst can lead to predictive kinetic models, improved catalysts and energy-efficient engine-catalyst systems. We performed practically relevant NO, storage/regeneration cycling (56 s/4 s) experiments over a monolithic Pt/K/Al2O3 catalyst in a bench-flow reactor and resolved multiple transient reactions and exotherms. Carbon monoxide was the reductant and intra-channel speciation and temperature measurements were instrumental in resolving CO chemistry. Gas-phase O-2 reacted with CO very fast over the entire regeneration time, and was depleted at the catalyst front. The resulting exotherm was significant and dissipated slowly over time raising the subsequent storage temperature considerably. No, release/reduction by CO was also vigorous and primary NOx removal occurred at early regeneration times. The NOx-attributable exotherm was smaller than that of the O-2-CO reaction, but extended deeper into the front portion of catalyst due to axially distributed NOx storage. Secondary NOx release/reduction occurred after the primary and produced NH3 as the main product. Hydrogen appeared when and where both the O-2 consumption and major NOx release/reduction were near complete. We proposed that H-2 produced via water-gas shift (WGS) reaction had little impact on O-2 depletion and primary NO, release/reduction under the conditions studied. Further study is necessary to assess the impact of WGS reaction on secondary NOx release/reduction. (c) 2006 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, Fuels Engines & Emiss Res Ctr, Oak Ridge, TN 37831 USA. Cummins Inc, Columbus, IN 47201 USA. RP Choi, JS (reprint author), Oak Ridge Natl Lab, Fuels Engines & Emiss Res Ctr, POB 2008,MS 6472, Oak Ridge, TN 37831 USA. EM choijs@ornl.gov OI Choi, Jae-Soon/0000-0002-8162-4207 NR 23 TC 44 Z9 44 U1 1 U2 13 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5861 J9 CATAL TODAY JI Catal. Today PD APR 30 PY 2006 VL 114 IS 1 BP 102 EP 111 DI 10.1016/j.cattod.2006.02.011 PG 10 WC Chemistry, Applied; Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA 035LO UT WOS:000237002700013 ER PT J AU Toops, TJ Smith, DB Partridge, WP AF Toops, TJ Smith, DB Partridge, WP TI NOx adsorption on Pt/K/Al2O3 SO CATALYSIS TODAY LA English DT Article; Proceedings Paper CT 19th Meeting of the North-American-Catalysis-Society (NAM) CY MAY 22-27, 2005 CL Philadelphia, PA SP N Amer Catalysis Soc DE lean NOx traps; DRIFTS; chemisorption; potassium; NOx storage ID INFRARED-SPECTROSCOPY; ADSORBER CATALYSTS; 3-WAY CATALYST; NO(X) STORAGE; BARIUM OXIDE; FT-IR; REDUCTION; POTASSIUM; PT(111); OXYGEN AB This study explores NO(x)storage in a Pt/K/Al2O3 lean NOx trap (LNT) catalyst using in situ diffuse reflectance Fourier transform infrared spectroscopy (DRIFTS) in conjunction with chemisorption. The combination of these techniques allows the quantification of surface species for this catalyst system. A free nitrate ion, NO3-, is the primary form of stored No, on the potassium phase at all temperatures, but there was significant nitrite formation observed below 200 degrees C during short adsorption times. The NO2 saturation storage on Pt/K/Al2O3 decreases from 6.7 mu mol/m(2) at 150 degrees C to 1.8 mu mol/m(2) at 400 degrees C, and DRIFTS indicates that the equilibrated surface species are identical over this entire temperature range. While the final state of Pt/K/Al2O3 is identical at all temperatures, the rates and observed surface species change significantly. After 1 min uptake, NO, adsorption varies from 0.35 mu mol/m(2) at 150 degrees C to a maximum of 3.2 mu mol/m(2) at 250 degrees C, and at 400 degrees C the adsorption decreases to 1.1 mu mol/m(2). This temperature sweep illustrates the limiting regimes associated with NOx adsorption: kinetic limitations at lower temperatures due to the strength of the Pt-O bond and insufficient storage sites at higher temperatures. This study propose three routes for the storage of NOx on Pt/K/Al2O3, two of them involving a potassium storage site adjacent to Pt sites, and a third route that involves a form of NO2 disproportionation on storage sites irrespective of their proximity to Pt. (c) 2006 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, Fuels Engines & Emiss Res Ctr, Knoxville, TN 37932 USA. RP Toops, TJ (reprint author), Oak Ridge Natl Lab, Fuels Engines & Emiss Res Ctr, 2360 Cherahala Blvd, Knoxville, TN 37932 USA. EM toopstj@ornl.gov NR 49 TC 46 Z9 48 U1 7 U2 21 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5861 J9 CATAL TODAY JI Catal. Today PD APR 30 PY 2006 VL 114 IS 1 BP 112 EP 124 DI 10.1016/j.cattod.2006.02.006 PG 13 WC Chemistry, Applied; Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA 035LO UT WOS:000237002700014 ER PT J AU Singleton, MJ Maher, K DePaolo, DJ Conrad, ME Dresel, PE AF Singleton, MJ Maher, K DePaolo, DJ Conrad, ME Dresel, PE TI Dissolution rates and vadose zone drainage from strontium isotope measurements of groundwater in the Pasco Basin, WA unconfined aquifer SO JOURNAL OF HYDROLOGY LA English DT Article DE reactive transport; isotope model; weathering; drainage; Hanford Site ID MISSOULA FLOODS; YUCCA MOUNTAIN; LAKE MISSOULA; EVOLUTION; CONSTRAINTS; WASHINGTON; SYSTEMS; RATIOS; SR-87/SR-86; TRANSPORT AB Strontium isotope ratios (Sr-87/Sr-86) measured in groundwater samples from 273 wells in the Pasco Basin unconfined aquifer below the US Department Of Energy Hanford Site show large and systematic variations that provide constraints on groundwater 0 recharge, weathering rates (for saturated zone dissolution) of the aquifer host rocks, communication between unconfined and C deeper confined aquifers, and vadose zone-groundwater interaction. The impact of millions of cubic meters of wastewater discharged to the vadose zone (10(3)-10(5) times higher than ambient drainage) shows up strikingly on maps of groundwater Sr-87/Sr-86. Extensive access through the many groundwater monitoring wells at the site allows for an unprecedented opportunity C, to evaluate the strontium geochemistry of a major aquifer, hosted primarily in unconsolidated sediments, and relate it to both long term properties and recent disturbances. Groundwater Sr-87/Sr-86 increases systematically from 0.707 to 0.712 from west to east across the Hanford Site, in the general direction of groundwater flow, as a result of addition of Sr from the weathering of aquifer sediments and from diffuse drainage through the Pasco Basin vadose zone. The lower Sr-87/Sr-86 groundwater reflects recharge waters that have acquired Sr from Columbia River Basalts. Based on a steady-state model of Sr reactive transport and drainage, there is an average natural drainage flux of 0-1.4 mm/yr near the western margin of the Hanford Site, and ambient drainage may be up to 30 mm/yr in the center of the site assuming an average bulk rock weathering rate of 10(-7.5) g/(g/yr). The weathering rates cannot be higher than those assumed by more than a factor of 2-3, in order to match Sr isotope data. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Singleton, MJ (reprint author), Lawrence Livermore Natl Lab, Chem Biol & Nucl Sci Div, 7000 East Ave,L-231, Livermore, CA 94550 USA. EM singleton20@llnl.gov RI Conrad, Mark/G-2767-2010; Maher, Kate/B-3489-2010 OI Maher, Kate/0000-0002-5982-6064 NR 43 TC 19 Z9 20 U1 0 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-1694 J9 J HYDROL JI J. Hydrol. PD APR 30 PY 2006 VL 321 IS 1-4 BP 39 EP 58 DI 10.1016/j.jhydrol.2005.07.044 PG 20 WC Engineering, Civil; Geosciences, Multidisciplinary; Water Resources SC Engineering; Geology; Water Resources GA 036TV UT WOS:000237099500004 ER PT J AU Hayes, AC Jungman, G Solem, JC Bradley, PA Rundberg, RS AF Hayes, AC Jungman, G Solem, JC Bradley, PA Rundberg, RS TI Prompt beta spectroscopy as a diagnostic for mix in ignited NIF capsules SO MODERN PHYSICS LETTERS A LA English DT Article DE national ignition facility; instabilities and mix; beta spectroscopy ID DIRECT-DRIVE; IMPLOSIONS AB The National Ignition Facility (NIF) technology is designed to drive deuterium-tritium (DT) internal confinement fusion (ICF) targets to ignition using indirect radiation from laser beam energy captured in a hohlraum. Hydrodynamical instabilities at interfaces in the ICF capsule leading to mix between the DT fuel and the ablator shell material are of fundamental physical interest and can affect the performance characteristics of the capsule. Here we describe new radiochemical diagnostics for mix processes in ICF capsules with plastic or Be (0.9% Cu) ablator shells. Reactions of high-energy tritons with shell material produce high-energy beta-emitters. We show that mix between the DT fuel and the shell material enhances high-energy prompt beta emission from these reactions by more than an order of magnitude over that expected in the absence of mix. We further show how a mix signal could be detectable in an ignition failure regime corresponding to yields greater than about 2 kJ. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Hayes, AC (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM anna_hayes@lanl.gov NR 11 TC 10 Z9 10 U1 1 U2 4 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0217-7323 J9 MOD PHYS LETT A JI Mod. Phys. Lett. A PD APR 30 PY 2006 VL 21 IS 13 BP 1029 EP 1040 DI 10.1142/S0217732306020317 PG 12 WC Physics, Nuclear; Physics, Particles & Fields; Physics, Mathematical SC Physics GA 043YJ UT WOS:000237638700003 ER PT J AU Zhou, CX Li, ZX Diao, HL Yu, YK Zhu, W Dai, YY Chen, FF Yang, J AF Zhou, CX Li, ZX Diao, HL Yu, YK Zhu, W Dai, YY Chen, FF Yang, J TI DNA damage evaluated by gamma H2AX foci formation by a selective group of chemical/physical stressors SO MUTATION RESEARCH-GENETIC TOXICOLOGY AND ENVIRONMENTAL MUTAGENESIS LA English DT Article DE gamma H2AX; genotoxin; double strand breaks; cytotoxicity ID DOUBLE-STRAND BREAKS; PHOSPHORYLATED HISTONE H2AX; MURINE KIDNEY-CELLS; IONIZING-RADIATION; HEAT-SHOCK; EPITHELIAL-CELLS; REPAIR-DEFICIENT; TOPOISOMERASE-I; EXPRESSION; INDUCTION AB It has been reported that the phosphorylated form of histone variant H2AX (gamma H2AX) plays an important role in the recruitment of DNA repair and checkpoint proteins to sites of DNA damage, particularly at double strand breaks (DSBs). Using gamma H2AX foci formation as an indicator for DNA damage, several chemical s/stress factors were chosen to assess their ability to induce gamma H2AX foci in a 24 It time frame in a human amnion FL cell line. Two direct-acting genotoxins, methyl methanesulfonate (MMS) and N-ethyl-N-nitrosourea (ENU), can induce gamma H2AX foci formation in a time- and dose-dependent manner. Similarly, an indirect-acting genotoxin, benzo[a]pyrene (BP), also induced the formation of gamma H2AX foci in a time- and dose-dependent manner. Another indirect genotoxin, 2-acetyl-aminofluorene (AAF), did not induce gamma H2AX foci formation in FL cells; however, AAF can induce gamma H2AX foci formation in Chinese hamster CHL cells. Neutral comet assays also revealed the induction of DNA strand breaks by these agents. In contrast, epigenetic carcinogens azathioprine and cyclosporine A, as well as non-carcinogen dimethyl sulfoxide, did not induce gamma H2AX foci fort-nation in FL cells. In addition, heat shock and hypertonic saline did not induce gamma H2AX foci. Cell survival analyses indicated that the induction of gamma H2AX is not correlated with the cytotoxic effects of these agents/factors. Taken together, these results suggest that gamma H2AX foci formation could be used for evaluating DNA damage; however, the different cell types used may play an important role in determining gamma H2AX foci formation induced by a specific agent. (c) 2005 Elsevier B.V. All rights reserved. C1 Zhejiang Univ, Sch Med, Inst Toxicol, Dept Publ Hlth, Zhejiang 310031, Peoples R China. Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94210 USA. RP Yang, J (reprint author), Zhejiang Univ, Sch Med, Inst Toxicol, Dept Publ Hlth, 353 Yan An Rd, Zhejiang 310031, Peoples R China. EM gastate@zju.edu.cn FU NCI NIH HHS [R21 CA095393, U54 CA112970-05, P50 CA112970, U54 CA112970, CA95393-01] NR 47 TC 76 Z9 85 U1 0 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1383-5718 J9 MUTAT RES-GEN TOX EN JI Mutat. Res. Genet. Toxicol. Environ. Mutagen. PD APR 30 PY 2006 VL 604 IS 1-2 BP 8 EP 18 DI 10.1016/j.mrgentox.2005.12.004 PG 11 WC Biotechnology & Applied Microbiology; Genetics & Heredity; Toxicology SC Biotechnology & Applied Microbiology; Genetics & Heredity; Toxicology GA 035IQ UT WOS:000236994700002 PM 16423555 ER PT J AU Wang, YL Elphic, RC Lavraud, B Taylor, MGGT Birn, J Russell, CT Raeder, J Kawano, H Zhang, XX AF Wang, YL Elphic, RC Lavraud, B Taylor, MGGT Birn, J Russell, CT Raeder, J Kawano, H Zhang, XX TI Dependence of flux transfer events on solar wind conditions from 3 years of Cluster observations SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID HIGH-LATITUDE MAGNETOPAUSE; INTERPLANETARY MAGNETIC-FIELD; DAYSIDE MAGNETOSPHERE; CUSP; IONOSPHERE; SPACECRAFT; RADAR; IMF; RECONNECTION; MAGNETOMETER AB We investigate the dependence of Cluster high-latitude magnetopause and low-latitude flank flux transfer events (FTEs) on solar wind conditions using measurements from Cluster FGM and CIS and ACE MFI and SWEPAM between February 2001 and June 2003. We find that there are strong dependences of Cluster FTE occurrence on the IMF B(xgsm), B(ygsm), and B(zgsm) components but not on the IMF magnitude. There are strong dependences of Cluster FTE occurrence on the IMF clock, tilt, spiral, and cone angles. However, some patterns are significantly different from previous results. The solar wind density, speed, Beta, V(x)B(z), dynamic pressure, and magnetosonic Mach number have different degrees of control on FTE occurrence. FTE separation time is found to be clearly controlled by IMF B(ygsm), B(zgsm), and magnitude, and the IMF clock, tilt, spiral, and cone angles, and weakly controlled by the solar wind V(x)B(z) and magnetosonic Mach number. There is no obvious control of it by other IMF and solar wind parameters. FTE peak-peak magnitude is found to be controlled by IMF B(ygsm), B(zgsm), and magnitude and by the solar wind density and dynamic pressure but not by other IMF and solar wind parameters. The FTE dawn-dusk asymmetry is not likely caused by the Parker spiral IMF. Some FTE statistical patterns are strongly dependent on FTE locations. Finally, we see similar to 4% of the FTEs corresponding to a single change in IMF B(zgsm) from positive to negative, similar to 4% corresponding to a single change from negative to positive, and similar to 43% corresponding to multiple changes in the sign of IMF B(zgsm), all within the 10-min interval preceding the FTEs. There is still no evidence for a direct correlation between IMF B(zgsm) changing sign and FTEs. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. UCL, Mullard Space Sci Lab, London, England. Univ Calif Los Angeles, Inst Geophys & Planetary Phys, Los Angeles, CA 90095 USA. Univ New Hampshire, Ctr Space Sci, Durham, NH 03824 USA. Kyushu Univ, Dept Earth & Planetary Sci, Higashi Ku, Fukuoka 8128581, Japan. Ctr Space Sci & Appl Res, Key Lab Space Weather, Beijing 100080, Peoples R China. RP Wang, YL (reprint author), Los Alamos Natl Lab, POB 1663,MS D466, Los Alamos, NM 87545 USA. EM yongli.wang@nasa.gov; relphic@lanl.gov; lavraud@lanl.gov; mggt@mssl.ucl.ac.uk; jbirn@lanl.gov; ctrussel@igpp.ucla.edu; j.raeder@unh.edu; hkawano@geo.kyushu-u.ac.jp; xxzhang@spaceweather.ac.cn NR 42 TC 24 Z9 24 U1 2 U2 8 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0148-0227 J9 J GEOPHYS RES-SPACE JI J. Geophys. Res-Space Phys. PD APR 29 PY 2006 VL 111 IS A4 AR A04224 DI 10.1029/2005JA011342 PG 13 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 040XF UT WOS:000237413600003 ER PT J AU Pike, J Chan, SW Zhang, F Wang, XQ Hanson, J AF Pike, J Chan, SW Zhang, F Wang, XQ Hanson, J TI Formation of stable Cu2O from reduction of CuO nanoparticles SO APPLIED CATALYSIS A-GENERAL LA English DT Article DE copper oxide; nanoparticles; reduction of oxides; X-ray diffraction ID GAS SHIFT REACTION; SURFACE SCIENCE; COPPER-OXIDE; NANOCRYSTALS; CATALYSTS; WATER AB In situ time-resolved X-ray diffraction (TR-XRD) using synchrotron radiation has been used to capture the dynamics of the reduction of nanocrystalline CuO using a normal supply of CO gas. Copper(II) oxide nanoparticles 4-16 nm in width, as measured by XRD peak broadening, are synthesized using an aqueous organic-nitrate method and reduced in isothermal and temperature ramping reduction experiments. Temperature-programmed reduction of CuO nanoparticles using a ramping heating profile was observed to result in the sequential reduction process CuO -> Cu2O -> Cu, with CuO reducing completely to the intermediate Cu2O phase before further reduction to metallic copper. Isothermal reduction experiments at 250 degrees C show that CuO nanoparticles completely reduce to Cu2O, and this phase remains stable without further reduction with continued exposure to CO. In contrast to what is typically observed in bulk CuO in both isothermal and ramping reduction conditions, nanocrystalline CuO reduces to a stable Cu2O phase rather than forming metallic copper directly. The behavior of the CuO nanoparticles in temperature ramping reducing conditions is controlled by the particle size, with the smaller CuO nanoparticles exhibiting a greater stability and withstanding a higher temperature before their reduction to Cu2O and then to metallic copper nanoparticles. (c) 2006 Elsevier B.V. All rights reserved. C1 Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Chan, SW (reprint author), Columbia Univ, Dept Appl Phys & Appl Math, 200 SW Mudd Bldg,500 W 120th St, New York, NY 10027 USA. EM jmp2112@columbia.edu; sc174@columbia.edu; feng.zhang@headway.com; xiawang@bnl.gov; hanson1@bnl.gov RI Hanson, jonathan/E-3517-2010 NR 17 TC 70 Z9 70 U1 4 U2 52 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0926-860X J9 APPL CATAL A-GEN JI Appl. Catal. A-Gen. PD APR 28 PY 2006 VL 303 IS 2 BP 273 EP 277 DI 10.1016/j.apcata.2006.02.008 PG 5 WC Chemistry, Physical; Environmental Sciences SC Chemistry; Environmental Sciences & Ecology GA 035OM UT WOS:000237011000017 ER PT J AU Chiang, DY Nix, DA Shultzaberger, RK Gasch, AP Eisen, MB AF Chiang, Derek Y. Nix, David A. Shultzaberger, Ryan K. Gasch, Audrey P. Eisen, Michael B. TI Flexible promoter architecture requirements for coactivator recruitment SO BMC MOLECULAR BIOLOGY LA English DT Article ID FACTOR-BINDING SITES; TRANSCRIPTION-FACTOR; GENE-EXPRESSION; DNA-BINDING; SACCHAROMYCES-CEREVISIAE; REGULATORY ELEMENTS; IN-VIVO; YEAST; SEQUENCE; COMPLEXES AB Background: The spatial organization of transcription factor binding sites in regulatory DNA, and the composition of intersite sequences, influences the assembly of the multiprotein complexes that regulate RNA polymerase recruitment and thereby affects transcription. We have developed a genetic approach to investigate how reporter gene transcription is affected by varying the spacing between transcription factor binding sites. We characterized the components of promoter architecture that govern the yeast transcription factors Cbf1 and Met31/32, which bind independently, but collaboratively recruit the coactivator Met4. Results: A Cbf1 binding site was required upstream of a Met31/32 binding site for full reporter gene expression. Distance constraints on coactivator recruitment were more flexible than those for cooperatively binding transcription factors. Distances from 18 to 50 bp between binding sites support efficient recruitment of Met4, with only slight modulation by helical phasing. Intriguingly, we found that certain sequences located between the binding sites abolished gene expression. Conclusion: These results yield insight to the influence of both binding site architecture and local DNA flexibility on gene expression, and can be used to refine computational predictions of gene expression from promoter sequences. In addition, our approach can be applied to survey promoter architecture requirements for arbitrary combinations of transcription factor binding sites. C1 Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. Ernest Orlando Lawrence Berkeley Natl Lab, Dept Genome Sci, Div Life Sci, Berkeley, CA 94720 USA. Univ Wisconsin, Dept Genet, Madison, WI 53706 USA. MIT, Broad Inst, Cambridge, MA 02141 USA. Affymetrix, Santa Clara, CA 95051 USA. RP Eisen, MB (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. EM dchiang@ocf.berkeley.edu; nix@bioroot.org; shultzab@hotmail.com; agasch@wisc.edu; mbeisen@lbl.gov OI Eisen, Michael/0000-0002-7528-738X NR 50 TC 17 Z9 17 U1 2 U2 3 PU BIOMED CENTRAL LTD PI LONDON PA MIDDLESEX HOUSE, 34-42 CLEVELAND ST, LONDON W1T 4LB, ENGLAND SN 1471-2199 J9 BMC MOL BIOL JI BMC Mol. Biol. PD APR 28 PY 2006 VL 7 AR 16 DI 10.1186/1471-2199-7-16 PG 18 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 060UR UT WOS:000238827600001 PM 16646957 ER PT J AU Dutoi, AD Head-Gordon, M AF Dutoi, AD Head-Gordon, M TI Self-interaction error of local density functionals for alkali-halide dissociation SO CHEMICAL PHYSICS LETTERS LA English DT Article ID EXCHANGE-CORRELATION POTENTIALS; EXCITED-STATES; SYSTEMS; MOLECULES; CHARGE AB We document the effect of self-interaction error in local density functionals for the dissociation of alkali-halide salts. The dissociated species have energies which are below the sums of atomic energies. There is a dramatic effect on the density itself, leaving unphysical partial charges on the atoms at dissociation. Unlike the cation-dimer paradigm, this manifestation of self interaction occurs in an overall neutral system with an even number of electrons. The reason why salts draw out this error is discussed in terms of electronegativity. (c) 2006 Elsevier B.V. All rights reserved. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Head-Gordon, M (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM t_dutoi@bastille.cchem.berkeley.edu; mhg@bastille.cchem.berkeley.edu NR 26 TC 63 Z9 63 U1 0 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2614 J9 CHEM PHYS LETT JI Chem. Phys. Lett. PD APR 28 PY 2006 VL 422 IS 1-3 BP 230 EP 233 DI 10.1016/jcplett.2006.02.025 PG 4 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 037WD UT WOS:000237177500043 ER PT J AU Becker, CA Asta, M Hoyt, JJ Foiles, SM AF Becker, CA Asta, M Hoyt, JJ Foiles, SM TI Equilibrium adsorption at crystal-melt interfaces in Lennard-Jones alloys SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID DENSITY-FUNCTIONAL THEORY; SOLID-LIQUID INTERFACES; ATOMIC-SCALE STRUCTURE; FREE-ENERGY; MOLECULAR-DYNAMICS; CERAMIC/METAL INTERFACES; FLUID INTERFACE; MGO/CU AG; SIMULATION; MIXTURES AB Although the properties of crystal-melt interfaces have been extensively studied in pure materials, effects of alloying on the interfacial free energy remain relatively poorly understood. In this work we make use of Monte Carlo computer simulations for model binary Lennard-Jones alloys to explore the effects which variations in atomic-size mismatch and the chemical contributions to mixing energies have upon density and composition profiles, as well as the resulting magnitudes of equilibrium adsorption coefficients in concentrated alloys. We study four different model systems covering a range of chemical and size mismatch, finding relatively small adsorption values which are nevertheless statistically different from zero. (c) 2006 American Institute of Physics. C1 Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. Univ Calif Davis, Ctr Computat Sci & Engn, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Becker, CA (reprint author), Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. EM c-becker@northwestern.edu OI Foiles, Stephen/0000-0002-1907-454X NR 40 TC 20 Z9 20 U1 2 U2 7 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 28 PY 2006 VL 124 IS 16 AR 164708 DI 10.1063/1.2185628 PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 037HC UT WOS:000237136700038 PM 16674158 ER PT J AU Furuhama, A Dupuis, M Hirao, K AF Furuhama, A Dupuis, M Hirao, K TI Reactions associated with ionization in water: A direct ab initio dynamics study of ionization in (H2O)(17) SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID LIQUID WATER; MOLECULAR-DYNAMICS; 1ST-ROW ELEMENTS; BASIS-SETS; CLUSTERS; (H2O)(2)(+); SIMULATION; RADIOLYSIS; SOLVATION; RADIATION AB Quasiclassical ab initio simulations of the ionization dynamics in a (H2O)(17) cluster, the first water cluster that includes a fourfold coordinated (internally solvated) water molecule, have been carried out to obtain a detailed picture of the elementary processes and energy redistribution induced by ionization in a model of aqueous water. General features observable from the simulations are the following: (i) well within 100 fs following the ionization, one or more proton transfers are seen to take place from the "ionized molecule" to neighboring molecules and beyond, forming a hydronium ion and a hydroxyl radical; (ii) two water molecules close to the ionized water molecule play an important role in the reaction, in what we term a "reactive trimer." The reaction time is gated by the encounter of the ionized water molecule with these two neighboring molecules, and this occurs anytime between 10 and 50 fs after the ionization. The distances of approach between the ionized molecule and the neighboring molecules indeed display best the time characteristics of the transfer of a proton, and thus of the formation of a hydronium ion and a OH radical. These findings are consistent with those for smaller cyclic clusters, albeit the dynamics of the proton transfer displays more varieties in the larger cluster than in the small cyclic clusters. We used a partitioning scheme for the kinetic energy in the (H2O)(17) system that distinguishes between the reactive trimer and the surrounding "medium." The analysis of the simulations indicates that the kinetic energy of the surrounding medium increases markedly right after the event of ionization, a manifestation of the local heating of the medium. The increase in kinetic energy is consistent with a reorganization of the surrounding medium, electrostatically forced in a very short time by the water cation and in a longer time by the formation of the hydronium ion. (c) 2006 American Institute of Physics. C1 Univ Tokyo, Sch Engn, Dept Appl Chem, Tokyo 1138656, Japan. Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. RP Furuhama, A (reprint author), Univ Tokyo, Sch Engn, Dept Appl Chem, Tokyo 1138656, Japan. EM furuhama@qcl.t.u-tokyo.ac.jp RI Hirao, Kimihiko/N-5483-2015 NR 38 TC 29 Z9 29 U1 1 U2 7 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 28 PY 2006 VL 124 IS 16 AR 164310 DI 10.1063/1.2194904 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 037HC UT WOS:000237136700018 PM 16674138 ER PT J AU Jeon, JH Sung, W Ree, FH AF Jeon, JH Sung, W Ree, FH TI A semiflexible chain model of local denaturation in double-stranded DNA SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID SINGLE-MOLECULE; STATISTICAL-MECHANICS; THERMAL-DENATURATION; PHASE-TRANSITION; NONLINEAR MODEL; DYNAMICS; POLYMER; THERMODYNAMICS; BUBBLES; ORDER AB Double-stranded DNA (dsDNA) is known to form a locally denatured structure ("bubble") below its denaturation temperature (T-c). We have investigated the physical behavior of the bubbles using a model of dsDNA as two wormlike chains containing interacting complementary base pairs. The model incorporates two biologically relevant features, i.e., semiflexibility of the strand and overdamping nature of aqueous background. Computer simulations using the Langevin equation are performed to examine the size distribution and dynamics of bubbles. The results show that the entropy associated with semiflexibility of DNA sensitively affects the size distribution and lifetime of bubble. In particular, the lifetime grows with bubble size m as m(2.7) at temperature close to T-c, which is consistent with our analysis based on a stochastic model of bubble size dynamics. (c) 2006 American Institute of Physics. C1 Pohang Univ Sci & Technol, Dept Phys, Pohang 790784, South Korea. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Jeon, JH (reprint author), Pohang Univ Sci & Technol, Dept Phys, Pohang 790784, South Korea. EM jsbach@postech.ac.kr; wsung@postech.ac.kr; ree1@llnl.gov RI Jeon, Jae-Hyung/B-6413-2008 NR 48 TC 21 Z9 21 U1 0 U2 8 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 28 PY 2006 VL 124 IS 16 AR 164905 DI 10.1063/1.2192774 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 037HC UT WOS:000237136700048 PM 16674168 ER PT J AU Puzder, A Dion, M Langreth, DC AF Puzder, A Dion, M Langreth, DC TI Binding energies in benzene dimers: Nonlocal density functional calculations SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID GENERALIZED GRADIENT APPROXIMATION; KOHN-SHAM ORBITALS; PI-PI INTERACTIONS; INTERMOLECULAR INTERACTIONS; PERTURBATION-THEORY; COMPLEXES; DIRECTIONALITY; CONFIGURATIONS; ATTRACTION; MOLECULES AB The interaction energy and minimum energy structure for different geometries of the benzene dimer have been calculated using the recently developed nonlocal correlation energy functional for calculating dispersion interactions. The comparison of this straightforward and relatively quick density functional based method with recent calculations provides a promising first step to elucidate how the former, quicker method might be exploited in larger more complicated biological, organic, aromatic, and even infinite systems such as molecules physisorbed on surfaces and van der Waals crystals. (c) 2006 American Institute of Physics. C1 Rutgers State Univ, Dept Phys & Astron, Ctr Mat Theory, Piscataway, NJ 08854 USA. RP Puzder, A (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM puzder1@lln1.gov NR 45 TC 120 Z9 120 U1 0 U2 9 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 28 PY 2006 VL 124 IS 16 AR 164105 DI 10.1063/1.2189229 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 037HC UT WOS:000237136700007 PM 16674127 ER PT J AU Tikhonov, AM AF Tikhonov, AM TI X-ray study of the electric double layer at the n-hexane/nanocolloidal silica interface SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID ELECTROLYTE INTERFACE; WATER DENSITY; REFLECTIVITY AB The spatial structure of the transition region between an insulator and an electrolyte solution was studied with x-ray scattering. The electron-density profile across the n-hexane/silica sol interface (solutions with 5, 7, and 12 nm colloidal particles) agrees with the theory of the electrical double layer and shows separation of positive and negative charges. The interface consists of three layers, i.e., a compact layer of Na+, a loose monolayer of nanocolloidal particles as part of a thick diffuse layer, and a low-density layer sandwiched between them. Its structure is described by a model in which the potential gradient at the interface reflects the difference in the potentials of "image forces" between the cationic Na+ and anionic nanoparticles and the specific adsorption of surface charge. The density of water in the large electric field (similar to 10(9)-10(10) V/m) of the transition region and the layering of silica in the diffuse layer is discussed. (c) 2006 American Institute of Physics. C1 Univ Chicago, Consortium Adv Radiat Sources, Chicago, IL 60637 USA. Natl Synchrotron Light, Brookhaven Natl Lab, Upton, NY 11973 USA. RP Tikhonov, AM (reprint author), Univ Chicago, Consortium Adv Radiat Sources, Chicago, IL 60637 USA. EM tikhonov@bnl.gov RI Tikhonov, Aleksey/N-1111-2016 NR 31 TC 10 Z9 10 U1 0 U2 10 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 28 PY 2006 VL 124 IS 16 AR 164704 DI 10.1063/1.2189848 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 037HC UT WOS:000237136700034 PM 16674154 ER PT J AU Mihlbachler, K De Jesus, MA Kaczmarski, K Sepaniak, MJ Seidel-Morgenstern, A Guiochon, G AF Mihlbachler, K De Jesus, MA Kaczmarski, K Sepaniak, MJ Seidel-Morgenstern, A Guiochon, G TI Adsorption behavior of the (+/-)-Troger's base enantiomers in the phase system of a silica-based packing coated with amylose tri(3,5-dimethyl carbamate) and 2-propanol and molecular modeling interpretation SO JOURNAL OF CHROMATOGRAPHY A LA English DT Article DE Troger's based enantioseparation; adsorption energy; adsorption isotherm; multi-layer adsorption; equilibrium-dispersive model; molecular modeling; molecular mechanics and molecular dynamics ID CHIRAL STATIONARY PHASES; CELLULOSE TRIACETATE; CHROMATOGRAPHY; SEPARATION; PROTEINS; ENANTIOSELECTION; THERMODYNAMICS; DISCRIMINATION; SIMULATION; MIXTURES AB The binary adsorption isotherms of the enantiomers of Troger's base in the phase system made of Chiral Technologies ChiralPak AD [a silica-based packing coated with amylose tri(3,5-dimethyl carbamate)] as the chiral stationary phase (CSP) and 2-propanol as the mobile phase were measured by the perturbation method. The more retained enantiomer exhibits a S-shaped adsorption isotherm with a clear inflection point, the concentration of the less retained enantiomer having practically no competitive influence on this isotherm: In the entire range of concentrations studied, dq(2)/dC(1) approximate to 0. By contrast, the less retained enantiomer has a Langmuir adsorption isotherm when pure. At constant mobile phase concentrations, however, its equilibrium concentration in the adsorbed phase increases with increasing concentration of the more retained enantiomer and dq(1)/dC(2) > 0. This cooperative adsorption behavior, opposed to the classical competitive behavior, is exceedingly rare but was clearly demonstrated in this case. Two adsorption isotherm equations that account for these physical observations were derived. They are based on the formation of an adsorbed multi-layer, as suggested by the isotherm data. The excellent agreement between the experimental overloaded elution profiles of binary mixtures and the profiles calculated with the equilibrium-dispersive model validates this binary isotherm model. The adsorption energies calculated by molecular mechanics (MM) and by molecular dynamics (MD) indicate that the chiral recognition arising from the different interactions between the functional groups of the CSP and the molecules of the Troger's base enantiomers are mainly driven by their Van der Waals interactions. The MD data suggest that the interactions of the (-)-Troger's base with the CSP are more favored by 8 +/- (5) kJ/mol than those of (+)-Troger's base. This difference seems to be a contributing factor to the increased retention of the - enantiomer on this chromatographic system. The modeling of the data also indicates that both enantiomers can form high stoichiometry complexes while binding onto the stationary phase, in agreement with the results of the equilibrium isotherm studies. (c) 2006 Elsevier B.V. All rights reserved. C1 Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN USA. OvGuericke Univ, Dept Chem Engn, Magdeburg, Germany. Rzeszow Univ Technol, Rzeszow, Poland. RP Guiochon, G (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. EM guiochon@utk.edu OI Seidel-Morgenstern, Andreas/0000-0001-8595-7810 NR 54 TC 19 Z9 19 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0021-9673 J9 J CHROMATOGR A JI J. Chromatogr. A PD APR 28 PY 2006 VL 1113 IS 1-2 BP 148 EP 161 DI 10.1016/j.chroma.2006.02.001 PG 14 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 034RF UT WOS:000236947600019 PM 16516901 ER PT J AU Taccetti, JM Shurter, RP Roberts, JP Benage, JF Graden, B Haberle, B Murillo, MS Vigil, B Wysocki, FJ AF Taccetti, J. M. Shurter, R. P. Roberts, J. P. Benage, J. F. Graden, B. Haberle, B. Murillo, M. S. Vigil, B. Wysocki, F. J. TI An experiment to measure the electron-ion thermal equilibration rate in a strongly coupled plasma SO JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL LA English DT Article; Proceedings Paper CT International Conference on Strongly Coupled Coulomb Systems CY JUN 20-24, 2005 CL Moscow, RUSSIA ID DENSITY; RELAXATION AB We present the most recent results from an experiment aimed at obtaining the temperature equilibration rate between ions and electrons in a strongly coupled plasma by directly measuring the temperature of each component. The plasma is formed by heating a sonic gas jet with a 10 ps laser pulse. The electrons are preferentially heated by the short pulse laser (we are aiming for T-e similar to 100 eV), while the ions, after undergoing very rapid (sub-ps timescale) disorder-induced heating, should only reach a temperature of 10-15 eV. This results in a strongly coupled ion plasma with a Gamma(ii) similar to 3-5. We plan to measure the electron and ion temperatures of the resulting plasma independently during and after heating, using collective Thomson scattering for electrons and a high-resolution x-ray spectrometer for the ions (measuring Doppler-broadened absorption lines). Theory indicates that the equilibration rate could be significantly lower than that given by the usual weakly coupled model (Landau-Spitzer) due to coupled collective modes present in the dense plasma. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Taccetti, JM (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM taccetti@lanl.gov NR 11 TC 5 Z9 5 U1 1 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0305-4470 J9 J PHYS A-MATH GEN JI J. Phys. A-Math. Gen. PD APR 28 PY 2006 VL 39 IS 17 BP 4347 EP 4351 DI 10.1088/0305-4470/39/17/S06 PG 5 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA 048TP UT WOS:000237969700007 ER PT J AU Clerouin, J Laudernet, Y Recoules, V Mazevet, S AF Clerouin, Jean Laudernet, Yann Recoules, Vanina Mazevet, Stephane TI Ab initio study of optical properties of shock compressed silica and lithium fluoride SO JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL LA English DT Article; Proceedings Paper CT International Conference on Strongly Coupled Coulomb Systems CY JUN 20-24, 2005 CL Moscow, RUSSIA ID ELECTRON-GAS; STATE AB The equation of state and optical properties of shocked compressed silica and LiF are investigated using quantum molecular dynamics in a wide range of pressures and temperatures along the principal Hugoniot. For silica, the increase in reflectivity occurs at about 100 Gpa and saturates around 40%. For LiF, a pressure of 600 GPa is needed to observe a significant reflectivity, but no saturation is observed. Our results are in close agreement with the experimental measurements (Hicks D G, Celliers P M, Collins G W, Eggert J H and Moon S J 2003 Phys. Rev. Lett. 91 035502) and a simple fit of the optical index of LiF versus compression is provided. C1 CEA, Dept Phys Theor & Appl, DAM, F-91680 Bruyeres Le Chatel, France. Los Alamos Natl Lab, Theoret Div T4, Los Alamos, NM 87545 USA. RP Clerouin, J (reprint author), CEA, Dept Phys Theor & Appl, DAM, Ile France BP12, F-91680 Bruyeres Le Chatel, France. RI Clerouin, jean/D-8528-2015 OI Clerouin, jean/0000-0003-2144-2759 NR 12 TC 6 Z9 6 U1 2 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0305-4470 J9 J PHYS A-MATH GEN JI J. Phys. A-Math. Gen. PD APR 28 PY 2006 VL 39 IS 17 BP 4387 EP 4391 DI 10.1088/0305-4470/39/17/S12 PG 5 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA 048TP UT WOS:000237969700013 ER PT J AU Chabrier, G Saumon, D Potekhin, AY AF Chabrier, G. Saumon, D. Potekhin, A. Y. TI Dense plasmas in astrophysics: from giant planets to neutron stars SO JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL LA English DT Article; Proceedings Paper CT International Conference on Strongly Coupled Coulomb Systems CY JUN 20-24, 2005 CL Moscow, RUSSIA ID EQUATION-OF-STATE; STRONG MAGNETIC-FIELDS; COMPRESSED LIQUID DEUTERIUM; PHASE-TRANSITION; SHOCK-COMPRESSION; FLUID HYDROGEN; PRESSURE-IONIZATION; MOLECULAR-HYDROGEN; SOLID DEUTERIUM; DISSOCIATION AB We briefly examine the properties of the dense plasmas characteristic of the interior of giant planets and of the atmospheres of neutron stars. Special attention is devoted to the equation of state of hydrogen and helium at high density and to the effect of magnetic fields on the properties of dense matter. C1 Ecole Normale Super Lyon, CNRS, CRAL, UMR 5574, F-69364 Lyon, France. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. AF Ioffe Phys Tech Inst, St Petersburg, Russia. RP Chabrier, G (reprint author), Ecole Normale Super Lyon, CNRS, CRAL, UMR 5574, F-69364 Lyon, France. RI Potekhin, Alexander/B-9747-2014 OI Potekhin, Alexander/0000-0001-9955-4684 NR 45 TC 89 Z9 90 U1 1 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0305-4470 J9 J PHYS A-MATH GEN JI J. Phys. A-Math. Gen. PD APR 28 PY 2006 VL 39 IS 17 BP 4411 EP 4419 DI 10.1088/0305-4470/39/17/S16 PG 9 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA 048TP UT WOS:000237969700017 ER PT J AU Brown, LS Dooling, DC Preston, DL AF Brown, LS Dooling, DC Preston, DL TI Rigorous theory of nuclear fusion rates in a plasma SO JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL LA English DT Article; Proceedings Paper CT International Conference on Strongly Coupled Coulomb Systems CY JUN 20-24, 2005 CL Moscow, RUSSIA AB Real-time thermal field theory is used to reveal the structure of plasma corrections to nuclear reactions. Previous results are recovered in a fashion that clarifies their nature and new extensions are made. Brown and Yaffe have introduced the methods of effective quantum field theory into plasma physics. They are used here to treat the interesting limiting case of dilute but very highly charged particles reacting in a dilute, one-component plasma. The highly charged particles are very strongly coupled to this background plasma. The effective field theory proves that the mean field solution plus the one-loop term dominates; higher loop corrections are negligible even though the problem involves strong coupling. Such analytic results for very strong coupling are rarely available, and they can serve as benchmarks for testing computer models. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Brown, LS (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM brownl@lanl.gov; dcd@lanl.gov; dean@lanl.gov NR 7 TC 3 Z9 3 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0305-4470 J9 J PHYS A-MATH GEN JI J. Phys. A-Math. Gen. PD APR 28 PY 2006 VL 39 IS 17 BP 4475 EP 4478 DI 10.1088/0305-4470/39/17/S25 PG 4 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA 048TP UT WOS:000237969700026 ER PT J AU Brown, LS Preston, DL Singleton, RL AF Brown, LS Preston, DL Singleton, RL TI Plasma stopping power including subleading order SO JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL LA English DT Article; Proceedings Paper CT International Conference on Strongly Coupled Coulomb Systems CY JUN 20-24, 2005 CL Moscow, RUSSIA AB Dimensional continuation is employed to compute the energy loss rate for a non-relativistic particle moving through a highly ionized plasma. No restriction is made on the charge, mass, or speed of this particle, but it is assumed that the plasma is not strongly coupled in that the dimensionless plasma coupling parameter g = e(2)kappa(D)/4 pi T is small, where kappa(D) is the Debye wave number. To leading order in this coupling, dE/dx is of the generic form g(2) ln[g(2)C]. The prefactor of the logarithm is well known. We compute the constant C under the logarithm exactly. Our result differs from approximations given in the literature, with differences in the range of about 20% for cases relevant to inertial confinement fusion experiments. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Brown, LS (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM brownl@lanl.gov; dean@lanl.gov; bobs1@lanl.gov NR 2 TC 1 Z9 1 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0305-4470 J9 J PHYS A-MATH GEN JI J. Phys. A-Math. Gen. PD APR 28 PY 2006 VL 39 IS 17 BP 4667 EP 4670 DI 10.1088/0305-4470/39/17/S54 PG 4 WC Physics, Multidisciplinary; Physics, Mathematical SC Physics GA 048TP UT WOS:000237969700055 ER PT J AU Colgan, J Pindzola, MS AF Colgan, J Pindzola, MS TI Energy differential cross sections for the triple photoionization of lithium SO JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS LA English DT Article ID PHOTO-DOUBLE-IONIZATION; HELIUM; ATOM AB Energy differential cross sections from the triple photoionization of lithium are calculated using the non-perturbative time-dependent close-coupling method. Collision probabilities are found by projection of the time-evolved nine-dimensional coordinate space wavefunction onto a fully antisymmetric product of spatial and spin functions representing three outgoing Coulomb waves. We then derive a differential cross section that is a function of the energy sharing between all three ejected electrons moving in the Coulomb field of the nucleus; i.e. four-body Coulomb break-up. At an incident photon energy of 300 eV, the energy differential cross section for lithium is bowl shaped with magnitudes generally below 10(-3) barns/(eV)(2); certainly a challenge for future advanced light source experiments. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Auburn Univ, Dept Phys, Auburn, AL 36849 USA. RP Colgan, J (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. OI Colgan, James/0000-0003-1045-3858 NR 15 TC 13 Z9 13 U1 0 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0953-4075 J9 J PHYS B-AT MOL OPT JI J. Phys. B-At. Mol. Opt. Phys. PD APR 28 PY 2006 VL 39 IS 8 BP 1879 EP 1887 DI 10.1088/0953-4075/39/8/006 PG 9 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 046UK UT WOS:000237836400010 ER PT J AU Angstmann, EJ Dzuba, VA Flambaum, VV Nevsky, AY Karshenboim, SG AF Angstmann, E. J. Dzuba, V. A. Flambaum, V. V. Nevsky, A. Yu Karshenboim, S. G. TI Narrow atomic transitions with enhanced sensitivity to variation of the fine structure constant SO JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS LA English DT Article ID ABSOLUTE FREQUENCY-MEASUREMENT; MODE-LOCKED LASER; FEMTOSECOND LASER; FUNDAMENTAL CONSTANTS; LATTICE CLOCK; OPTICAL CLOCK; SPECTROSCOPY; MICROWAVE; COMB AB To study the possible variation of the fine structure constant, a, in laboratory experiments, we propose using narrow lines that correspond to atomic transitions between close lying, long-lived atomic states of different configurations. The small transition frequency, coupled with differences in the electron structure ensures a strong enhancement of the relative frequency change compared to a possible change in alpha. The small linewidth makes it possible to perform very accurate measurements. These two features, when combined, make the measurements very sensitive to any variation of alpha. C1 Univ New S Wales, Sch Phys, Sydney, NSW 2052, Australia. Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. Univ Dusseldorf, Inst Expt Phys, D-40225 Dusseldorf, Germany. VNIIM, DI Mendeleev Inst Metrol, St Petersburg 198005, Russia. Max Planck Inst Quantum Opt, D-85748 Garching, Germany. RP Angstmann, EJ (reprint author), Univ New S Wales, Sch Phys, Sydney, NSW 2052, Australia. EM lizb@phys.unsw.edu.au RI Karshenboim, Savely/C-1456-2011 NR 39 TC 25 Z9 25 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0953-4075 J9 J PHYS B-AT MOL OPT JI J. Phys. B-At. Mol. Opt. Phys. PD APR 28 PY 2006 VL 39 IS 8 BP 1937 EP 1944 DI 10.1088/0953-4075/39/8/011 PG 8 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 046UK UT WOS:000237836400015 ER PT J AU Hu, SX Collins, LA AF Hu, S. X. Collins, L. A. TI Generating a single attosecond pulse from dissociated molecules driven by a few-cycle pulse SO JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS LA English DT Article ID ORDER HARMONIC-GENERATION; INTENSE LASER FIELDS; ALIGNED MOLECULES; DYNAMICS; IONIZATION; LIGHT; NM AB Through solving the three-dimensional (3D) time-dependent Schrodinger equation, we have investigated how an intense, circularly/elliptically-polarized, few-cycle pulse rotates the electronic wave packets of a dissociated diatomic molecule. When such rotating wave packets from one atomic core sweep quickly through the other nucleus, recombination occurs and generates a supercontinuum radiation spectrum. The numerical solution of the Maxwell equation for the 3D propagation of such supercontinuum radiation in realistic molecular gases has confirmed the generation of a single attosecond (as) pulse, with a duration of similar to 186 as. Moreover, the proposed scheme can push the extreme ultraviolet (EUV) pulse generation down to the sub-100-attosecond regime. As an example, we have shown a single EUV pulse of similar to 90 as, using an elliptical driving pulse. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Hu, SX (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RI Hu, Suxing/A-1265-2007 OI Hu, Suxing/0000-0003-2465-3818 NR 38 TC 8 Z9 8 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-4075 EI 1361-6455 J9 J PHYS B-AT MOL OPT JI J. Phys. B-At. Mol. Opt. Phys. PD APR 28 PY 2006 VL 39 IS 8 BP L185 EP L193 DI 10.1088/0953-4075/39/8/L01 PG 9 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 046UK UT WOS:000237836400001 ER PT J AU Marinova, M Baleva, M Sutter, E AF Marinova, M Baleva, M Sutter, E TI Structural and optical characterization of the formation of beta-FeSi2 nanocrystallites in an n-type (100) Si matrix SO NANOTECHNOLOGY LA English DT Article ID ION-BEAM SYNTHESIS; SINGLE-CRYSTALS; LAYERS AB Ion-beam synthesized (IBS) samples, prepared with a low dose of iron ions and subjected to rapid thermal annealing (RTA) were studied. The samples were characterized with cross-sectional transmission electron microscopy (XTEM), including high-resolution electron microscopy (HREM) and far infrared transmittance (FIRT) spectroscopy. The formation of beta-FeSi2 nanocrystallites, with various shapes and sizes, in the Si matrix was revealed. The optical constants dispersions of the samples were obtained from the reflectance ( R) and transmittance ( T) spectra, taken between 0.38 and 1.2 eV. From these dispersions, the energy band diagram of the interface beta-FeSi2/Si was determined, and compared to those reported by other authors. C1 Univ Sofia, Fac Phys, Sofia 1164, Bulgaria. Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Marinova, M (reprint author), Univ Sofia, Fac Phys, 5 J Boucher Blvd, Sofia 1164, Bulgaria. EM m_marinova@phys.uni-sofia.bg NR 16 TC 10 Z9 10 U1 0 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0957-4484 J9 NANOTECHNOLOGY JI Nanotechnology PD APR 28 PY 2006 VL 17 IS 8 BP 1969 EP 1974 DI 10.1088/0957-4484/17/8/029 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA 046LL UT WOS:000237813000030 ER PT J AU Fletcher, BL McKnight, TE Melechko, AV Simpson, ML Doktycz, MJ AF Fletcher, BL McKnight, TE Melechko, AV Simpson, ML Doktycz, MJ TI Biochemical functionalization of vertically aligned carbon nanofibres SO NANOTECHNOLOGY LA English DT Article ID COVALENT FUNCTIONALIZATION; BIOMOLECULAR RECOGNITION; NANOTUBES; NANOSTRUCTURES; MICROARRAYS; ELECTRODES; CHEMISTRY; GROWTH; ARRAYS; CELLS AB Because of their unique physical and chemical properties, vertically aligned carbon nanofibres (VACNFs) show promise in improving current analytical measurement techniques. Chemical functionalization schemes will be necessary to fully realize this promise. Functionalization of the VACNFs with biomolecules or other species can impart specific chemical or physical properties. We report on two methods for immobilizing biomolecules on the surface of VACNFs. One attachment scheme makes use of a class of heterocyclic aromatic dye compounds to specifically adsorb onto VACNFs. The second scheme involves covalently coupling biomolecules through cross-linking to carboxylic acid sites on the sidewalls of the carbon nanofibres. The observed adsorption and covalent coupling properties are consistent with the physical structure and chemical characteristics of the VACNFs. C1 Univ Tennessee, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Engn Sci & Technol Div, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Div Life Sci, Oak Ridge, TN 37831 USA. RP Fletcher, BL (reprint author), Univ Tennessee, Knoxville, TN 37996 USA. EM doktyczmj@ornl.gov RI Melechko, Anatoli/B-8820-2008; Doktycz, Mitchel/A-7499-2011; Simpson, Michael/A-8410-2011; McKnight, Tim/H-3087-2011 OI Doktycz, Mitchel/0000-0003-4856-8343; Simpson, Michael/0000-0002-3933-3457; McKnight, Tim/0000-0003-4326-9117 NR 22 TC 27 Z9 28 U1 1 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0957-4484 J9 NANOTECHNOLOGY JI Nanotechnology PD APR 28 PY 2006 VL 17 IS 8 BP 2032 EP 2039 DI 10.1088/0957-4484/17/8/041 PG 8 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA 046LL UT WOS:000237813000042 ER PT J AU Airapetian, A Akopov, N Akopov, Z Amarian, M Andrus, A Aschenauer, EC Augustyniak, W Avakian, R Avetissian, A Avetissian, E Bailey, P Belostotski, S Bianchi, N Blok, HP Bottcher, H Borissov, A Borysenko, A Brull, A Bryzgalov, V Capiluppi, M Capitani, GP Ciullo, G Contalbrigo, M Dalpiaz, PF Deconinck, W De Leo, R Demey, M De Nardo, L De Sanctis, E Devitsin, E Diefenthaler, M Di Nezza, P Dreschler, J Duren, M Ehrenfried, M Elalaoui-Moulay, A Elbakian, G Ellinghaus, F Elschenbroich, U Fabbri, R Fantoni, A Felawka, L Frullani, S Funel, A Gapienko, G Gapienko, V Garibaldi, F Garrow, K Gavrilov, G Gharibyan, V Giordano, F Grebeniouk, O Gregor, IM Griffioen, K Guler, H Hadjidakis, C Hartig, M Hasch, D Hasegawa, T Hesselink, WH Hillenbrand, A Hoek, M Holler, Y Hommez, B Hristova, I Iarygin, G Ivanilov, A Izotov, A Jackson, HE Jgoun, A Kaiser, R Keri, T Kinney, E Kisselev, A Kobayashi, T Kopytin, M Korotkov, V Kozlov, V Krauss, B Kravchenko, P Krivokhijine, VG Lagamba, L Lapikas, L Lenisa, P Liebing, P Linden-Levy, LA Lorenzon, W Lu, J Lu, S Ma, BQ Maiheu, B Makins, NCR Mao, Y Marianski, B Marukyan, H Masoli, F Mexner, V Meyners, N Michler, T Mikloukho, O Miller, CA Miyachi, Y Muccifora, V Murray, M Nagaitsev, A Nappi, E Naryshkin, Y Negodaev, M Nowak, WD Ohsuga, H Osborne, A Perez-Benito, R Pickert, N Raithel, M Reggiani, D Reimer, PE Reischl, A Roelon, AR Riedl, C Rith, K Rosner, G Rostomyan, A Rubacek, L Rubin, J Ryckbosch, D Salomatin, Y Sanjiev, I Savin, I Schafer, A Schnell, G Schuler, KP Seele, J Seidl, R Seitz, B Shearer, C Shibata, TA Shutov, V Sinram, K Stancari, M Statera, M Steffens, E Steijger, JJM Stenzel, H Stewart, J Stinzing, F Streit, J Tait, P Tanaka, H Taroian, S Tchuiko, B Terkulov, A Trzcinski, A Tytgat, M Vandenbroucke, A van der Nat, PB van der Steenhoven, G van Haarlem, Y Veretennikov, D Vikhrov, V Vogel, C Wang, S Ye, Y Ye, Z Yen, S Zihlmann, B Zupranski, P AF Airapetian, A Akopov, N Akopov, Z Amarian, M Andrus, A Aschenauer, EC Augustyniak, W Avakian, R Avetissian, A Avetissian, E Bailey, P Belostotski, S Bianchi, N Blok, HP Bottcher, H Borissov, A Borysenko, A Brull, A Bryzgalov, V Capiluppi, M Capitani, GP Ciullo, G Contalbrigo, M Dalpiaz, PF Deconinck, W De Leo, R Demey, M De Nardo, L De Sanctis, E Devitsin, E Diefenthaler, M Di Nezza, P Dreschler, J Duren, M Ehrenfried, M Elalaoui-Moulay, A Elbakian, G Ellinghaus, F Elschenbroich, U Fabbri, R Fantoni, A Felawka, L Frullani, S Funel, A Gapienko, G Gapienko, V Garibaldi, F Garrow, K Gavrilov, G Gharibyan, V Giordano, F Grebeniouk, O Gregor, IM Griffioen, K Guler, H Hadjidakis, C Hartig, M Hasch, D Hasegawa, T Hesselink, WH Hillenbrand, A Hoek, M Holler, Y Hommez, B Hristova, I Iarygin, G Ivanilov, A Izotov, A Jackson, HE Jgoun, A Kaiser, R Keri, T Kinney, E Kisselev, A Kobayashi, T Kopytin, M Korotkov, V Kozlov, V Krauss, B Kravchenko, P Krivokhijine, VG Lagamba, L Lapikas, L Lenisa, P Liebing, P Linden-Levy, LA Lorenzon, W Lu, J Lu, S Ma, BQ Maiheu, B Makins, NCR Mao, Y Marianski, B Marukyan, H Masoli, F Mexner, V Meyners, N Michler, T Mikloukho, O Miller, CA Miyachi, Y Muccifora, V Murray, M Nagaitsev, A Nappi, E Naryshkin, Y Negodaev, M Nowak, WD Ohsuga, H Osborne, A Perez-Benito, R Pickert, N Raithel, M Reggiani, D Reimer, PE Reischl, A Roelon, AR Riedl, C Rith, K Rosner, G Rostomyan, A Rubacek, L Rubin, J Ryckbosch, D Salomatin, Y Sanjiev, I Savin, I Schafer, A Schnell, G Schuler, KP Seele, J Seidl, R Seitz, B Shearer, C Shibata, TA Shutov, V Sinram, K Stancari, M Statera, M Steffens, E Steijger, JJM Stenzel, H Stewart, J Stinzing, F Streit, J Tait, P Tanaka, H Taroian, S Tchuiko, B Terkulov, A Trzcinski, A Tytgat, M Vandenbroucke, A van der Nat, PB van der Steenhoven, G van Haarlem, Y Veretennikov, D Vikhrov, V Vogel, C Wang, S Ye, Y Ye, Z Yen, S Zihlmann, B Zupranski, P TI Double-hadron leptoproduction in the nuclear medium SO PHYSICAL REVIEW LETTERS LA English DT Article ID PARTON ENERGY-LOSS; ELECTROMAGNETIC CORRECTIONS; SCATTERING; FRAGMENTATION; COLLISIONS; HERMES; MATTER; ENVIRONMENT; ATTENUATION; TIME AB The first measurements of double-hadron production in deep-inelastic scattering within the nuclear medium were made with the HERMES spectrometer at DESY HERA using a 27.6 GeV positron beam. By comparing data for deuterium, nitrogen, krypton, and xenon nuclei, the influence of the nuclear medium on the ratio of double-hadron to single-hadron yields was investigated. Nuclear effects on the additional hadron are clearly observed, but with little or no difference among nitrogen, krypton, or xenon, and with smaller magnitude than effects seen on previously measured single-hadron multiplicities. The data are compared with models based on partonic energy loss or prehadronic scattering and with a model based on a purely absorptive treatment of the final-state interactions. Thus, the double-hadron ratio provides an additional tool for studying modifications of hadronization in nuclear matter. C1 Univ Michigan, Randall Lab Phys, Ann Arbor, MI 48109 USA. Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. Ist Nazl Fis Nucl, I-70124 Bari, Italy. Peking Univ, Sch Phys, Beijing 100871, Peoples R China. Univ Sci & Technol China, Dept Modern Phys, Hefei 230026, Anhui, Peoples R China. Univ Colorado, Nucl Phys Lab, Boulder, CO 80309 USA. DESY, D-22603 Hamburg, Germany. DESY, D-15738 Zeuthen, Germany. Joint Inst Nucl Res, Dubna 141980, Russia. Univ Erlangen Nurnberg, Inst Phys, D-91058 Erlangen, Germany. Univ Ferrara, Dipartmento Fis, I-44100 Ferrara, Italy. Ist Nazl Fis Nucl, Sez Ferrara, I-44100 Ferrara, Italy. Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. Univ Ghent, Dept Subatom & Radiat Phys, B-9000 Ghent, Belgium. Univ Giessen, Inst Phys, D-35392 Giessen, Germany. Univ Glasgow, Dept Phys & Astron, Glasgow G12 8QQ, Lanark, Scotland. Univ Illinois, Dept Phys, Urbana, IL 61801 USA. PN Lebedev Phys Inst, Moscow 117924, Russia. NIKHEF, NL-1009 DB Amsterdam, Netherlands. Petersburg Nucl Phys Inst, Gatchina 188350, Russia. Inst High Energy Phys, Protvino 142281, Moscow Region, Russia. Univ Regensburg, Inst Theoret Phys, D-93040 Regensburg, Germany. Ist Super Sanita, Phys Lab, I-00161 Rome, Italy. Ist Nazl Fis Nucl, Sez Roma 1, Grp Sanita, I-00161 Rome, Italy. TRIUMF, Vancouver, BC V6T 2A3, Canada. Tokyo Inst Technol, Dept Phys, Tokyo 152, Japan. Vrije Univ Amsterdam, Dept Phys & Astron, NL-1081 HV Amsterdam, Netherlands. Andrzej Soltan Inst Nucl Studies, PL-00689 Warsaw, Poland. Yerevan Phys Inst, Yerevan 375036, Armenia. Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. Coll William & Mary, Williamsburg, VA 23187 USA. RP Airapetian, A (reprint author), Univ Michigan, Randall Lab Phys, Ann Arbor, MI 48109 USA. RI Deconinck, Wouter/F-4054-2012; Gavrilov, Gennady/C-6260-2013; Reimer, Paul/E-2223-2013; Negodaev, Mikhail/A-7026-2014; Taroian, Sarkis/E-1668-2014; El Alaoui, Ahmed/B-4638-2015; Kozlov, Valentin/M-8000-2015; Terkulov, Adel/M-8581-2015; OI Hoek, Matthias/0000-0002-1893-8764; Lagamba, Luigi/0000-0002-0233-9812; Deconinck, Wouter/0000-0003-4033-6716 NR 44 TC 20 Z9 21 U1 2 U2 7 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 28 PY 2006 VL 96 IS 16 AR 162301 DI 10.1103/PhysRevLett.96.162301 PG 5 WC Physics, Multidisciplinary SC Physics GA 037OP UT WOS:000237156700012 PM 16712217 ER PT J AU Byrd, JM Hao, Z Martin, MC Robin, DS Sannibale, F Schoenlein, RW Zholents, AA Zolotorev, MS AF Byrd, JM Hao, Z Martin, MC Robin, DS Sannibale, F Schoenlein, RW Zholents, AA Zolotorev, MS TI Tailored terahertz pulses from a laser-modulated electron beam SO PHYSICAL REVIEW LETTERS LA English DT Article ID SYNCHROTRON-RADIATION AB We present a new method to generate steady and tunable, coherent, broadband terahertz radiation from a relativistic electron beam modulated by a femtosecond laser. We have demonstrated this in the electron storage ring at the Advanced Light Source. Interaction of an electron beam with a femtosecond laser pulse copropagating through a wiggler modulates the electron energies within a short slice of the electron bunch with about the same duration of the laser pulse. The bunch develops a longitudinal density perturbation due to the dispersion of electron trajectories, and the resulting hole emits short pulses of temporally and spatially coherent terahertz pulses synchronized to the laser. We present measurements of the intensity and spectra of these pulses. This technique allows tremendous flexibility in shaping the terahertz pulse by appropriate modulation of the laser pulse. C1 Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Byrd, JM (reprint author), Ernest Orlando Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. RI Schoenlein, Robert/D-1301-2014; Hao, Zhao/G-2391-2015 OI Schoenlein, Robert/0000-0002-6066-7566; Hao, Zhao/0000-0003-0677-8529 NR 12 TC 29 Z9 29 U1 0 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 28 PY 2006 VL 96 IS 16 AR 164801 DI 10.1103/PhysRevLett.96.164801 PG 4 WC Physics, Multidisciplinary SC Physics GA 037OP UT WOS:000237156700034 PM 16712239 ER PT J AU Laver, M Forgan, EM Brown, SP Charalambous, D Fort, D Bowell, C Ramos, S Lycett, RJ Christen, DK Kohlbrecher, J Dewhurst, CD Cubitt, R AF Laver, M Forgan, EM Brown, SP Charalambous, D Fort, D Bowell, C Ramos, S Lycett, RJ Christen, DK Kohlbrecher, J Dewhurst, CD Cubitt, R TI Spontaneous symmetry-breaking vortex lattice transitions in pure niobium SO PHYSICAL REVIEW LETTERS LA English DT Article ID ANGLE NEUTRON-DIFFRACTION; D-WAVE SUPERCONDUCTORS; MAGNETIC PROPERTIES; II SUPERCONDUCTORS; ANISOTROPY; FIELD; DEPENDENCE; VORTICES AB We report an extensive investigation of magnetic vortex lattice (VL) structures in single crystals of pure niobium with the magnetic field applied parallel to a fourfold symmetry axis, so as to induce frustration between the cubic crystal symmetry and hexagonal VL coordination expected in an isotropic situation. We observe new VL structures and phase transitions; all the VL phases observed (including those with an exactly square unit cell) spontaneously break some crystal symmetry. One phase even has the lowest possible symmetry of a two-dimensional Bravais lattice. This is quite unlike the situation in high-T-c or borocarbide superconductors, where VL structures orient along particular directions of high crystal symmetry. The causes of this behavior are discussed. C1 Inst Max Von Laue Paul Langevin, F-38042 Grenoble, France. Univ Birmingham, Sch Phys & Astron, Birmingham B15 2TT, W Midlands, England. Minist Agr, Meteorol Serv, CY-1086 Nicosia, Cyprus. Oak Ridge Natl Lab, Div Solid State, Oak Ridge, TN 37831 USA. Paul Scherrer Inst, CH-5232 Villigen, Switzerland. RP Laver, M (reprint author), Inst Max Von Laue Paul Langevin, BP 156, F-38042 Grenoble, France. RI cubitt, robert/B-9408-2008; Kohlbrecher, Joachim/C-8790-2011 OI Kohlbrecher, Joachim/0000-0001-5879-6943 NR 30 TC 34 Z9 34 U1 0 U2 2 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 28 PY 2006 VL 96 IS 16 AR 167002 DI 10.1103/PhysRevLett.96.167002 PG 4 WC Physics, Multidisciplinary SC Physics GA 037OP UT WOS:000237156700056 PM 16712261 ER PT J AU King, AW Gunderson, CA Post, WM Weston, DJ Wullschleger, SD AF King, AW Gunderson, CA Post, WM Weston, DJ Wullschleger, SD TI Atmosphere - Plant respiration in a warmer world SO SCIENCE LA English DT Editorial Material ID CARBON-CYCLE; TEMPERATURE; CLIMATE; ACCLIMATION; Q(10); MODEL C1 Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP King, AW (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM kingaw@ornl.gov RI Weston, David/A-9116-2011; Wullschleger, Stan/B-8297-2012; Post, Wilfred/B-8959-2012 OI Weston, David/0000-0002-4794-9913; Wullschleger, Stan/0000-0002-9869-0446; NR 12 TC 75 Z9 78 U1 5 U2 32 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD APR 28 PY 2006 VL 312 IS 5773 BP 536 EP 537 DI 10.1126/science.1114166 PG 2 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 039HN UT WOS:000237296700030 PM 16645083 ER PT J AU Sfeir, MY Beetz, T Wang, F Huang, LM Huang, XMH Huang, MY Hone, J O'Brien, S Misewich, JA Heinz, TF Wu, LJ Zhu, YM Brus, LE AF Sfeir, MY Beetz, T Wang, F Huang, LM Huang, XMH Huang, MY Hone, J O'Brien, S Misewich, JA Heinz, TF Wu, LJ Zhu, YM Brus, LE TI Optical spectroscopy of individual single-walled carbon nanotubes of defined chiral structure SO SCIENCE LA English DT Article ID DENSITY-OF-STATES; RAMAN-SCATTERING; TRANSITIONS; DEPENDENCE; EXCITONS AB We simultaneously determined the physical structure and optical transition energies of individual single-walled carbon nanotubes by combining electron diffraction with Rayleigh scattering spectroscopy. These results test fundamental features of the excited electronic states of carbon nanotubes. We directly verified the systematic changes in transition energies of semiconducting nanotubes as a function of their chirality and observed predicted energy splittings of optical transitions in metallic nanotubes. C1 Columbia Univ, Dept Chem, New York, NY 10027 USA. Columbia Univ, Dept Phys & Elect Engn, New York, NY 10027 USA. Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. Columbia Univ, Dept Mech Engn, New York, NY 10027 USA. Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Sfeir, MY (reprint author), Columbia Univ, Dept Chem, 3000 Broadway, New York, NY 10027 USA. EM msfeir@bnl.gov RI Huang, Mingyuan/B-4424-2011; bartelsdoe, ludwig/F-8008-2011; O'Brien, Stephen/D-7682-2013; Huang, Limin/J-6211-2014; Hone, James/E-1879-2011; Heinz, Tony/K-7797-2015; wang, Feng/I-5727-2015; OI Hone, James/0000-0002-8084-3301; Heinz, Tony/0000-0003-1365-9464; Sfeir, Matthew/0000-0001-5619-5722 NR 29 TC 149 Z9 150 U1 8 U2 88 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD APR 28 PY 2006 VL 312 IS 5773 BP 554 EP 556 DI 10.1126/science.1124602 PG 3 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 039HN UT WOS:000237296700038 PM 16645089 ER PT J AU Mao, WL Mao, HK Sturhahn, W Zhao, JY Prakapenka, VB Meng, Y Shu, JF Fei, YW Hemley, RJ AF Mao, WL Mao, HK Sturhahn, W Zhao, JY Prakapenka, VB Meng, Y Shu, JF Fei, YW Hemley, RJ TI Iron-rich post-perovskite and the origin of ultralow-velocity zones SO SCIENCE LA English DT Article ID CORE-MANTLE BOUNDARY; SEISMIC EVIDENCE; EARTHS MANTLE; PHASE-TRANSITION; CONSTRAINTS; DENSITY; MGSIO3; LAYER; BASE AB The boundary layer between the crystalline silicate lower mantle and the liquid iron core contains regions with ultralow seismic velocities. Such low compressional and shear wave velocities and high Poisson's ratio are also observed experimentally in post-perovskite silicate phase containing up to 40 mol% FeSiO3 endmember. The iron-rich post-perovskite silicate is stable at the pressure-temperature and chemical environment of the core-mantle boundary and can be formed by core-mantle reaction. Mantle dynamics may lead to further accumulation of this material into the ultralow-velocity patches that are observable by seismology. C1 Los Alamos Natl Lab, Lujan Neutron Scattering Ctr, Los Alamos, NM 87545 USA. Carnegie Inst Washington, Geophys Lab, Washington, DC 20015 USA. Argonne Natl Lab, Adv Photon Source, Xray Operat & Res, Argonne, IL 60439 USA. Argonne Natl Lab, High Pressure Collaborat Access Team, Argonne, IL 60439 USA. Univ Chicago, Chicago, IL 60637 USA. RP Mao, WL (reprint author), Los Alamos Natl Lab, Lujan Neutron Scattering Ctr, POB 1663, Los Alamos, NM 87545 USA. EM wmao@lanl.gov RI Mao, Wendy/D-1885-2009; Fei, Yingwei/F-3709-2011 OI Fei, Yingwei/0000-0001-9955-5353 NR 21 TC 119 Z9 122 U1 2 U2 30 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD APR 28 PY 2006 VL 312 IS 5773 BP 564 EP 565 DI 10.1126/science.1123442 PG 2 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 039HN UT WOS:000237296700041 PM 16645091 ER PT J AU Anders, A AF Anders, A TI Physics of arcing, and implications to sputter deposition SO THIN SOLID FILMS LA English DT Article; Proceedings Paper CT 5th International Conference on Coating on Glass CY JUL 04-08, 2004 CL Saarbrucken, GERMANY DE 444 : sputtering; 373 : plasma processing and deposition; arcing; target poisoning ID ALUMINUM-OXIDE; VACUUM ARCS; POWER DENSITIES; CATHODE SPOTS; PULSED DC; MAGNETRON; FILMS; PLASMA; GENERATION; BREAKDOWN AB Arc and glow discharges are defined based on their cathode processes. Arcs are characterized by collective electron emission, which can be stationary with hot cathodes (thermionic arcs), or non-stationary with cold cathodes (cathodic arcs). A brief review on cathodic arc properties serves as the starting point to better understand arcing phenomena in sputtering. Although arcing occurs in both metal and reactive sputtering, it is more of an issue in the reactive case. Arcing occurs if sufficiently high field strength leads to thermal runaway of an electron emission site. The role of insulating layers and surface potential adjustment through current leakage is highlighted. In the situation of magnetron sputtering with "racetrack", the need for a model with two spatial dimensions is shown. In many cases, arcing is initiated by breakdown of dielectric layers and inclusions. It is most efficiently prevented if formation and excessive charge-up of dielectric layers and inclusions can be avoided. (c) 2005 Elsevier B.V. All rights reserved. C1 Lawrence Berkeley Natl Lab, Berkeley, CA 94706 USA. RP Anders, A (reprint author), Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94706 USA. EM aanders@lbl.gov RI Anders, Andre/B-8580-2009 OI Anders, Andre/0000-0002-5313-6505 NR 50 TC 41 Z9 43 U1 5 U2 31 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0040-6090 J9 THIN SOLID FILMS JI Thin Solid Films PD APR 28 PY 2006 VL 502 IS 1-2 BP 22 EP 28 DI 10.1016/j.tsf.2005.07.228 PG 7 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 026AN UT WOS:000236309200006 ER PT J AU van Mol, AMB Chae, Y McDaniel, AH Allendorf, MD AF van Mol, AMB Chae, Y McDaniel, AH Allendorf, MD TI Chemical vapor deposition of tin oxide: Fundamentals and applications SO THIN SOLID FILMS LA English DT Article; Proceedings Paper CT 5th International Conference on Coating on Glass CY JUL 04-08, 2004 CL Saarbruecken, GERMANY DE tin oxide; CVD; solar cell; low-E windows ID MONOBUTYLTIN TRICHLORIDE; CVD; GLASS; OXYGEN; FILMS; LINE AB Tin oxide thin layers have very beneficial properties such as a high transparency for visible light and electrical conductivity making these coatings suitable for a wide variety of applications, such as solar cells, and low-emissivity coatings for architectural glass windows. Each application requires different properties of the tin oxide layer. These properties can be tuned by adjusting the parameters of the chemical vapor deposition (CVD) process, the main technique used for applying the tin oxide layer to the substrate. This paper discusses the state of the art of the kinetic models for tin oxide CVD. In the case of organometallic precursors the gas-phase chemistry may be initiated by cleavage of the tin-carbon bond, followed by radical-driven chain reactions that enhance the overall decomposition rate. However, in commercial tin oxide CVD reactors the gas-phase temperature may be too low or the residence time too short for these reactions to occur, thereby favoring surface chemistry. Preliminary investigations of the MBTC-H2O-O-2 chemistry indicate that a mechanism comprising the reaction between gaseous oxygen and an adsorbed MBTC-H2O complex is a plausible model. (c) 2005 Elsevier B.V. All rights reserved. C1 TNO Sci & Ind, Eindhoven, Netherlands. Sandia Natl Labs, Livermore, CA USA. RP van Mol, AMB (reprint author), TNO Sci & Ind, Eindhoven, Netherlands. EM ton.vanmol@tno.nl NR 24 TC 36 Z9 36 U1 1 U2 21 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0040-6090 J9 THIN SOLID FILMS JI Thin Solid Films PD APR 28 PY 2006 VL 502 IS 1-2 BP 72 EP 78 DI 10.1016/j.tsf.2005.07.247 PG 7 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 026AN UT WOS:000236309200016 ER PT J AU Bacic, Z Gray, SK AF Bacic, Z Gray, SK TI Tribute to John C. Light SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Biographical-Item C1 NYU, New York, NY 10012 USA. Argonne Natl Lab, Argonne, IL 60439 USA. RP Bacic, Z (reprint author), NYU, New York, NY 10012 USA. NR 0 TC 1 Z9 1 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD APR 27 PY 2006 VL 110 IS 16 BP 5225 EP + DI 10.1021/jp068016k PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 037QZ UT WOS:000237163300001 ER PT J AU Davis, MJ AF Davis, MJ TI Low-dimensional manifolds in reaction-diffusion equations. 1. Fundamental aspects SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID PARTIAL-DIFFERENTIAL EQUATIONS; STEADY-STATE APPROXIMATION; REACTION-MECHANISMS; INERTIAL MANIFOLDS; CHEMICAL-KINETICS; ENZYME-KINETICS; SYSTEMS; FLAMES; PERTURBATION; EQUILIBRIUM AB The approach to equilibrium for systems of reaction-diffusion equations on bounded domains is studied geometrically. It is shown that equilibrium is approached via low-dimensional manifolds in the infinite-dimensional function space for these dissipative, parabolic systems. The fundamental aspects of this process are mapped Out in some detail for single species cases and for two-species cases where there is an exact solution. It is shown how the manifolds reduce the dimensionality of the system from infinite dimensions to only a few dimensions. C1 Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RP Davis, MJ (reprint author), Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. EM davis@tcg.anl.gov NR 64 TC 22 Z9 22 U1 0 U2 3 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD APR 27 PY 2006 VL 110 IS 16 BP 5235 EP 5256 DI 10.1021/jp055592s PG 22 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 037QZ UT WOS:000237163300003 PM 16623450 ER PT J AU Davis, MJ AF Davis, MJ TI Low-dimensional manifolds in reaction-diffusion equations. 2. Numerical analysis and method development SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID STEADY-STATE; DIFFERENTIAL-EQUATIONS; REACTION-MECHANISMS; CHEMICAL-KINETICS; ENZYME-KINETICS; SYSTEMS; FLAMES; APPROXIMATIONS; PERTURBATION; EQUILIBRIUM AB Calculations are undertaken to study the approach to equilibrium for systems of reaction-diffusion equations on bounded domains. It is demonstrated that a number of systems approach equilibrium along attractive low-dimensional manifolds over significant ranges of parameter space. Numerical methods for generating the manifolds are adapted from methods that were developed for systems of ordinary differential equations. The truncation of the infinite spectrum of the partial differential equations makes it necessary to devise a new version of one of these methods, the well-known algorithm of Maas and Pope. C1 Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RP Davis, MJ (reprint author), Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. EM davis@tcg.anl.gov NR 58 TC 12 Z9 12 U1 0 U2 2 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD APR 27 PY 2006 VL 110 IS 16 BP 5257 EP 5272 DI 10.1021/jp055593k PG 16 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 037QZ UT WOS:000237163300004 PM 16623451 ER PT J AU Yu, HG Muckerman, JT AF Yu, HG Muckerman, JT TI Quantum molecular dynamics study of the reaction of O-2 with HOCO SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID POTENTIAL-ENERGY SURFACE; CO REACTANT COMPLEX; HIGH-PRESSURE RANGE; AB-INITIO DYNAMICS; REACTION OH PLUS; RATE CONSTANTS; TRANS-HOCO; VIBRATIONAL FREQUENCIES; TRAJECTORY CALCULATIONS; INFRARED-SPECTROSCOPY AB The reaction of O-2 with HOCO has been studied by using an ab initio direct dynamics method based on the UB3PW91 density functional theory. Results show that the reaction can occur via two mechanisms: direct hydrogen abstraction and an addition reaction through a short-lived HOC(O)O-2 intermediate. The lifetime of the intermediate is predicted to be 660 +/- 30 fs. Although it is an activated reaction, the activation energy is only 0.71 kcal/mol. At room temperature, the obtained thermal rate coefficient is 2.1 X 10(-12) cm(3) molecule(-1) s(-1), which is in good agreement with the experimental results. C1 Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Yu, HG (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM hgy@bnl.gov RI Muckerman, James/D-8752-2013; Yu, Hua-Gen/N-7339-2015 NR 55 TC 18 Z9 18 U1 0 U2 6 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD APR 27 PY 2006 VL 110 IS 16 BP 5312 EP 5316 DI 10.1021/jp055623j PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 037QZ UT WOS:000237163300010 PM 16623457 ER PT J AU Schrier, J Whaley, KB AF Schrier, J Whaley, KB TI Hyperfine coupling constants of the azafullerenes C19N, C59N, C69N, and C75N SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID DENSITY; C-60; (C59N)(2); ESR AB The isomers of the nitro-en-substituted fullerenes (azafullerenes) C19N, C59N, C69N, and C75N are examined using all-electron Gaussian atomic orbital basis density functional theory, to determine the doublet radical geometries and hyperfine coupling constants. We find that the inaccuracy of previously calculated hyperfine coupling constants of C59N resulted from a poor treatment of the geometry optimization. We find that UB3LYP minimization of the radical geometry in the 6-31G* basis, followed by single-point evaluation of the hyperfine constants in which an expanded basis is used on the atomic sites of interest, forms an efficient compromise between computational cost and accuracy with respect to experimental hyperfine constants. Using this approach, we assign the hyperfine signals observed in experiments on the C69N radical by calculating the hyperfine coupling constants for all five of the isomers and examine the electron spin density distribution. Finally, we present predicted hyperfine coupling constants for the isomers of C19N and C75N for use in the interpretation of future experiments. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Pitzer Ctr Theoret Chem, Berkeley, CA 94720 USA. RP Schrier, J (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA. RI Schrier, Joshua/B-6838-2009 NR 28 TC 11 Z9 11 U1 0 U2 6 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD APR 27 PY 2006 VL 110 IS 16 BP 5386 EP 5390 DI 10.1021/jp056462m PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 037QZ UT WOS:000237163300019 PM 16623466 ER PT J AU Scribano, Y Goldman, N Saykally, RJ Leforestier, C AF Scribano, Y Goldman, N Saykally, RJ Leforestier, C TI Water dimers in the atmosphere III: Equilibrium constant from a flexible potential SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID DISCRETE VARIABLE REPRESENTATION; COUPLED 6-DIMENSIONAL CALCULATIONS; ROTATION-TUNNELING STATES; TRIATOMIC-MOLECULES; INTERACTION ENERGY; PARTITION-FUNCTION; SOLAR-RADIATION; ABSORPTION; SURFACE; APPROXIMATION AB We present new results for the water dimer equilibrium constant K-p(7) in the range 190-390 K, using a flexible potential energy surface fitted to spectroscopical data. The increased numerical complexity due to explicit consideration of the monomer vibrations is handled via an adiabatic (6 + 6)d decoupling between intra- and intermolecular modes. The convergence of the canonical partition function of the dimer is ensured by computing all energy levels up to dissociation for total angular momentum values J = 0-5 and using an extrapolation scheme to higher values. The newly calculated value., for Kp(7) are in very good agreement with available experimental data at room temperature. At higher temperatures, an analysis of the convergence of the partition function reveals that quasi-bound states are likely to contribute to the equilibrium constant. Additional thermodynamical quantities (Delta G, Delta H, Delta S, and C-p) have also been determined and fit to quadratic expressions a + bT + cT(2). C1 Univ Montpellier 2, CNRS, UMR 5636, F-34095 Montpellier, France. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Univ Montpellier 2, CNRS, UMR 5636, CC 014, F-34095 Montpellier, France. EM Claude.Leforestier@univ-montp2.fr NR 53 TC 87 Z9 91 U1 3 U2 20 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD APR 27 PY 2006 VL 110 IS 16 BP 5411 EP 5419 DI 10.1021/jp056759k PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 037QZ UT WOS:000237163300022 PM 16623469 ER PT J AU Cerjan, C AF Cerjan, C TI Bessel-Zernike discrete variable representation basis SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID COMPUTATION; ALGORITHM AB The connection between the Bessel discrete variable basis expansion and a specific form of an orthogonal set of Jacobi polynomials is demonstrated. These so-called Zernike polynomials provide alternative series expansions of suitable functions over the unit interval. Expressing a Bessel function in a Zernike expansion provides a straightforward method of generating series identities. Furthermore, the Zernike polynomials may also be used to efficiently evaluate the Hankel transform for rapidly decaying functions or functions with finite support. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Cerjan, C (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. NR 16 TC 1 Z9 1 U1 0 U2 1 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD APR 27 PY 2006 VL 110 IS 16 BP 5495 EP 5498 DI 10.1021/jp056468b PG 4 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 037QZ UT WOS:000237163300034 PM 16623481 ER PT J AU Mayneris, J Saracibar, A Goldfield, EM Gonzalez, M Garcia, E Gray, SK AF Mayneris, J Saracibar, A Goldfield, EM Gonzalez, M Garcia, E Gray, SK TI Theoretical study of the complex-forming CH+H-2 -> CH2+H reaction SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID PHASE-SPACE THEORY; REAL WAVE-PACKETS; QUANTUM DYNAMICS; TRAJECTORY CALCULATIONS; CHEMICAL KINETICS; RATE CONSTANTS; TEMPERATURE; DECOMPOSITION; PROBABILITIES; MECHANISMS AB The complex-forming CH + H-2 -> CH2 + H reaction is studied employing a recently developed global potential energy function. The reaction probability in the total angular momentum J = 0 limit is estimated with a four-atom quantum wave packet method and compared with classical trajectory and statistical theory results. The formation of complexes from different reactant internal states is also determined with wave packet calculations. While there is no barrier to reaction along the minimum energy path, we find that there are angular constraints to complex formation. Trajectory-based estimates of the low-pressure rate constants are made and compared with experimental results. We find that zero-point energy violation in the trajectories is a particularly severe problem for this reaction. C1 Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. Univ Barcelona, Dept Quim Fis, E-08028 Barcelona, Spain. Univ Barcelona, Ctr Rec Quim Teor, E-08028 Barcelona, Spain. Wayne State Univ, Dept Chem, Detroit, MI 48202 USA. Univ Basque Country, Dept Quim Fis, Vitoria 01006, Spain. RP Gray, SK (reprint author), Argonne Natl Lab, Div Chem, 9700 S Cass Ave, Argonne, IL 60439 USA. EM gray@anchim.chm.anl.gov RI Garcia, Ernesto/A-2635-2015 OI Garcia, Ernesto/0000-0001-8778-8141 NR 32 TC 12 Z9 12 U1 1 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD APR 27 PY 2006 VL 110 IS 16 BP 5542 EP 5548 DI 10.1021/jp056936h PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 037QZ UT WOS:000237163300041 PM 16623488 ER PT J AU Culp, JT Matranga, C Smith, M Bittner, EW Bockrath, B AF Culp, JT Matranga, C Smith, M Bittner, EW Bockrath, B TI Hydrogen storage properties of metal nitroprussides M[Fe(CN)(5)NO], (M = Co, Ni) SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID ORGANIC FRAMEWORKS; SORPTION PROPERTIES; ADSORPTION; ZN AB The volumetric hydrogen adsorption isotherms of two isostructural dehydrated cubic metal nitroprussides M[Fe(CN)(5)NO] (M = Co2+, Ni2+) have been measured up to a pressure of 760 Torr at 77 and 87 K. These materials are among the most efficient H-2 sorbents based on porous coordination polymers reported to date. The H-2 uptake in both materials is similar to 1.6 wt % at 77 K and 760 torr. These H-2 capacities match those reported recently in the structurally related M-3[Co(CN)(6)](2) compounds and are approximately 25% higher than those reported for Zn4O(1,4-benzenedicarboxylate)(3) under the same conditions of temperature and pressure. The isosteric heats of H-2 adsorption calculated from the 77 and 87 K isotherms for both materials were found to vary from similar to 7.5 kJ/mol at 0.40 wt % coverage to similar to 5.5 kJ/mol at 1.2 wt % coverage. The N-2 BET surface areas were determined to be 634 m(2)/g and 523 m(2)/g for M = Ni and M = Co, respectively. C1 US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Culp, JT (reprint author), US DOE, Natl Energy Technol Lab, POB 10940, Pittsburgh, PA 15236 USA. EM Jeffrey.Culp@or.netl.doe.gov RI Culp, Jeffrey/B-1219-2010; Matranga, Christopher/E-4741-2015 OI Culp, Jeffrey/0000-0002-7422-052X; Matranga, Christopher/0000-0001-7082-5938 NR 22 TC 46 Z9 47 U1 0 U2 8 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD APR 27 PY 2006 VL 110 IS 16 BP 8325 EP 8328 DI 10.1021/jp056955r PG 4 WC Chemistry, Physical SC Chemistry GA 037RD UT WOS:000237163700026 PM 16623516 ER PT J AU Redfern, PC Zapol, P Sternberg, M Adiga, SP Zygmunt, SA Curtiss, LA AF Redfern, PC Zapol, P Sternberg, M Adiga, SP Zygmunt, SA Curtiss, LA TI Quantum chemical study of mechanisms for oxidative dehydrogenation of propane on vanadium oxide SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID DENSITY-FUNCTIONAL THEORY; MINIMUM ENERGY PATHS; ELASTIC BAND METHOD; SADDLE-POINTS; 3RD-ROW ATOMS; GAS-PHASE; CATALYSTS; FORMALDEHYDE; REACTIVITY; METHANOL AB We have carried out a hybrid density functional study of mechanisms for oxidative dehydrogenation of propane on the (010) surface of V2O5. The surface was modeled using both vanadium oxide clusters and a periodic slab. We have investigated a Mars-van Krevelen mechanism that involves stepwise adsorption of the propane at an oxygen site followed by desorption of a water molecule and propene, and subsequent adsorption of an oxygen molecule to complete the catalytic cycle. The potential energy surface is found to have large barriers, which are lowered somewhat when the possibility of a triplet state is considered. The barriers for propane adsorption and propene elimination are 45-60 kcal/mol. The highest energy on the potential energy Surface at the B3LYP/6-31G(*) level of theory is about 80 kcal/mol above the energy of the reactants and corresponds to formation of an oxygen vacancy after water elimination. Subsequent addition of an oxygen molecule to fill the vacancy is predicted to be energetically downhill. The reactions of propane at a bridging oxygen site and at a vanadyl site have similar energetics. The key results of the cluster calculations are confirmed by periodic calculations. Factors that may lower the barriers on the potential energy surface, including, the interaction of vanadium oxide clusters with a support material and a concerted reaction with O-2, are discussed. C1 Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. Valparaiso Univ, Dept Phys & Astron, Valparaiso, IN 46383 USA. RP Curtiss, LA (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Adiga, Shashishekar/A-8353-2008; Zapol, Peter/G-1810-2012 OI Zapol, Peter/0000-0003-0570-9169 NR 45 TC 34 Z9 34 U1 1 U2 24 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD APR 27 PY 2006 VL 110 IS 16 BP 8363 EP 8371 DI 10.1021/jp056228w PG 9 WC Chemistry, Physical SC Chemistry GA 037RD UT WOS:000237163700031 PM 16623521 ER PT J AU Liu, J Groves, JT Chakraborty, AK AF Liu, J Groves, JT Chakraborty, AK TI Kinetic pathways of phase ordering in lipid raft model systems SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID MEMBRANES; CHOLESTEROL; DOMAINS; FLUCTUATIONS; TRANSITIONS; MONOLAYERS; PATTERNS; VESICLES AB We studied kinetic pathways of order-order transitions in bilayer lipid mixtures using a time-dependent Ginzburg-Landau (TDGL) approach. During the stripe-to-hexagonal phase transition in an incompressible two-component system, the stripe phase first develops a pearl-like instability along the phase boundaries, which grows and drives the stripes to break up into droplets that arrange into a hexagonal pattern. These dynamic features are consistent with recent experimental observations. During the disorder-to-hexagonal phase transition in an incompressible three-component system, the disordered state first passes through a transient stripelike structure, which eventually breaks up into a hexagonal droplet phase. Our results suggest experiments with synthetic vesicles where the stripelike patterns could be observed. C1 Univ Calif Berkeley, Dept Chem, Dept Chem Engn, Biophys Grad Grp, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Phys Biosci & Mat Sci Div, Berkeley, CA 94720 USA. RP Chakraborty, AK (reprint author), Univ Calif Berkeley, Dept Chem, Dept Chem Engn, Biophys Grad Grp, Berkeley, CA 94720 USA. EM arup@uclink.berkeley.edu RI Liu, Jian/C-6755-2011 NR 30 TC 3 Z9 3 U1 0 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD APR 27 PY 2006 VL 110 IS 16 BP 8416 EP 8421 DI 10.1021/jp054855f PG 6 WC Chemistry, Physical SC Chemistry GA 037RD UT WOS:000237163700037 PM 16623527 ER PT J AU Reznik, D Pintschovius, L Ito, M Iikubo, S Sato, M Goka, H Fujita, M Yamada, K Gu, GD Tranquada, JM AF Reznik, D Pintschovius, L Ito, M Iikubo, S Sato, M Goka, H Fujita, M Yamada, K Gu, GD Tranquada, JM TI Electron-phonon coupling reflecting dynamic charge inhomogeneity in copper oxide superconductors SO NATURE LA English DT Article ID HIGH-TEMPERATURE SUPERCONDUCTORS; DISPERSION; MAGNETISM; YBA2CU3O7; STRIPES AB The attempt to understand copper oxide superconductors is complicated by the presence of multiple strong interactions in these systems. Many believe that antiferromagnetism is important for superconductivity, but there has been renewed interest in the possible role of electron-lattice coupling(1-4). The conventional superconductor MgB2 has a very strong electron-lattice coupling, involving a particular vibrational mode (phonon) that was predicted by standard theory and confirmed quantitatively by experiment(5). Here we present inelastic scattering measurements that show a similarly strong anomaly in the Cu-O bond-stretching phonon in the copper oxide superconductors La2-xSrxCuO4 (with x=0.07, 0.15). Conventional theory does not predict such behaviour. The anomaly is strongest in La1.875Ba0.125CuO4 and La1.48Nd0.4Sr0.12CuO4, compounds that exhibit spatially modulated charge and magnetic order, often called stripe order(6); it occurs at a wave vector corresponding to the charge order. These results suggest that this giant electron-phonon anomaly, which is absent in undoped and over-doped non-superconductors, is associated with charge inhomogeneity. It follows that electron-phonon coupling may be important to our understanding of superconductivity, although its contribution is likely to be indirect. C1 Forschungszentrum Karlsruhe, Inst Festkorperphys, D-76021 Karlsruhe, Germany. Ctr Etud Saclay, Leon Brillouin Lab, F-91191 Gif Sur Yvette, France. Nagoya Univ, Dept Phys, Div Sci Mat, Chikusa Ku, Nagoya, Aichi 4648602, Japan. Tohoku Univ, Inst Mat Res, Aoba Ku, Sendai, Miyagi 9808577, Japan. Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci, Upton, NY 11973 USA. RP Forschungszentrum Karlsruhe, Inst Festkorperphys, POB 3640, D-76021 Karlsruhe, Germany. EM Reznik@llb.saclay.cea.fr RI Tranquada, John/A-9832-2009; Yamada, Kazuyoshi/C-2728-2009; Gu, Genda/D-5410-2013; Fujita, Masaki/D-8430-2013 OI Tranquada, John/0000-0003-4984-8857; Gu, Genda/0000-0002-9886-3255; NR 30 TC 199 Z9 199 U1 5 U2 43 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 EI 1476-4687 J9 NATURE JI Nature PD APR 27 PY 2006 VL 440 IS 7088 BP 1170 EP 1173 DI 10.1038/nature04704 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 036OG UT WOS:000237080000040 PM 16641991 ER PT J AU Bulatov, VV Hsiung, LL Tang, M Arsenlis, A Bartelt, MC Cai, W Florando, JN Hiratani, M Rhee, M Hommes, G Pierce, TG de la Rubia, TD AF Bulatov, VV Hsiung, LL Tang, M Arsenlis, A Bartelt, MC Cai, W Florando, JN Hiratani, M Rhee, M Hommes, G Pierce, TG de la Rubia, TD TI Dislocation multi-junctions and strain hardening SO NATURE LA English DT Article ID SINGLE-CRYSTALS; CELL STRUCTURES; ALUMINUM AB At the microscopic scale, the strength of a crystal derives from the motion, multiplication and interaction of distinctive line defects called dislocations. First proposed theoretically in 1934 (refs 1-3) to explain low magnitudes of crystal strength observed experimentally, the existence of dislocations was confirmed two decades later(4,5). Much of the research in dislocation physics has since focused on dislocation interactions and their role in strain hardening, a common phenomenon in which continued deformation increases a crystal's strength. The existing theory relates strain hardening to pair-wise dislocation reactions in which two intersecting dislocations form junctions that tie the dislocations together(6,7). Here we report that interactions among three dislocations result in the formation of unusual elements of dislocation network topology, termed 'multi-junctions'. We first predict the existence of multi-junctions using dislocation dynamics and atomistic simulations and then confirm their existence by transmission electron microscopy experiments in single-crystal molybdenum. In large-scale dislocation dynamics simulations, multi-junctions present very strong, nearly indestructible, obstacles to dislocation motion and furnish new sources for dislocation multiplication, thereby playing an essential role in the evolution of dislocation microstructure and strength of deforming crystals(8). Simulation analyses conclude that multi-junctions are responsible for the strong orientation dependence of strain hardening in body-centred cubic crystals. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Stanford Univ, Dept Mech Engn, Stanford, CA 94305 USA. RP Bulatov, VV (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM bulatov1@llnl.gov OI Cai, Wei/0000-0001-5919-8734 NR 20 TC 117 Z9 119 U1 8 U2 78 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 J9 NATURE JI Nature PD APR 27 PY 2006 VL 440 IS 7088 BP 1174 EP 1178 DI 10.1038/nature04658 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 036OG UT WOS:000237080000041 PM 16641992 ER PT J AU Evans, AO Paul, ES Boston, AJ Chantler, HJ Chiara, CJ Devlin, M Fletcher, AM Fossan, DB LaFosse, DR Lane, GJ Lee, IY Macchiavelli, AO Nolan, PJ Sarantites, DG Sears, JM Semple, AT Smith, JF Starosta, K Vaman, C Afanasjev, AV Ragnarsson, I AF Evans, AO Paul, ES Boston, AJ Chantler, HJ Chiara, CJ Devlin, M Fletcher, AM Fossan, DB LaFosse, DR Lane, GJ Lee, IY Macchiavelli, AO Nolan, PJ Sarantites, DG Sears, JM Semple, AT Smith, JF Starosta, K Vaman, C Afanasjev, AV Ragnarsson, I TI Magnetic properties of smooth terminating dipole bands in Te-110,Te-112 SO PHYSICS LETTERS B LA English DT Article ID COINCIDENCE DATA SETS; ROTATIONAL BANDS; A-SIMILAR-TO-110 REGION; SUPERDEFORMED BAND; SHEARS MECHANISM; COLLECTIVITY; NUCLEI; LIFETIMES; STATES AB Three strongly coupled sequences have been established in Te-110,Te-112 up to high spins. They are interpreted in terms of deformed structures built on proton 1-particle-1-hole excitations that reach termination at I similar to 40h. This is the first observation of smooth terminating dipole structures in this mass region. Lifetime measurements have allowed the extraction of experimental B(M 1; 1 -> I - 1) and B(E2; I -> I - 2) reduced transition rates for one of the dipole bands in Te-110. The results support the deformed interpretation. (c) 2006 Elsevier B.V. All rights reserved. C1 Univ Liverpool, Oliver Lodge Lab, Liverpool L69 7ZE, Merseyside, England. SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. Washington Univ, Dept Chem, St Louis, MO 63130 USA. Univ Manchester, Schuster Lab, Manchester M13 9PL, Lancs, England. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Nucl Sci, Berkeley, CA 94720 USA. Lund Univ, Dept Math Phys, S-22100 Lund, Sweden. Mississippi State Univ, Dept Phys & Astron, Mississippi State, MS 39762 USA. Latvian State Univ, Inst Solid State Phys, Lab Radiat Phys, LV-2169 Salaspils, Latvia. RP Paul, ES (reprint author), Univ Liverpool, Oliver Lodge Lab, Liverpool L69 7ZE, Merseyside, England. EM esp@ns.ph.liv.ac.uk RI Lane, Gregory/A-7570-2011; Devlin, Matthew/B-5089-2013 OI Lane, Gregory/0000-0003-2244-182X; Devlin, Matthew/0000-0002-6948-2154 NR 35 TC 7 Z9 7 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD APR 27 PY 2006 VL 636 IS 1 BP 25 EP 30 DI 10.1016/j.physletb.2006.03.020 PG 6 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 038EH UT WOS:000237201100005 ER PT J AU Pascalutsa, V Vanderhaeghen, M AF Pascalutsa, V Vanderhaeghen, M TI The nucleon and Delta-resonance masses in relativistic chiral effective-field theory SO PHYSICS LETTERS B LA English DT Article ID PERTURBATION-THEORY; SPECTROSCOPY AB We study the chiral behavior of the nucleon and Delta-isobar masses within a manifestly covariant chiral effective-field theory, consistent with the analyticity principle. We compute the pi N and pi Delta one-loop contributions to the mass and field-normalization constant, and find that they can be described in terms of universal relativistic loop functions, multiplied by appropriate spin, isospin and coupling constants. We show that these manifestly relativistic one-loop corrections, when properly renormalized, obey the chiral power-counting and vanish in the chiral limit. The results including only the pi N-loop corrections compare favorably with the lattice QCD data for the pion-mass dependence of the nucleon and Delta masses, while inclusion of the pi Delta loops tends to spoil this agreement. (c) 2006 Published by Elsevier B.V. C1 Coll William & Mary, Dept Phys, Williamsburg, VA 23187 USA. Jefferson Lab, Theory Grp, Newport News, VA 23606 USA. RP Pascalutsa, V (reprint author), Coll William & Mary, Dept Phys, Williamsburg, VA 23187 USA. EM vlad@jlab.org; marcvdh@jlab.org NR 37 TC 36 Z9 39 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD APR 27 PY 2006 VL 636 IS 1 BP 31 EP 39 DI 10.1016/j.physletb.2006.03.023 PG 9 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 038EH UT WOS:000237201100006 ER PT J AU Stevenson, DS Dentener, FJ Schultz, MG Ellingsen, K van Noije, TPC Wild, O Zeng, G Amann, M Atherton, CS Bell, N Bergmann, DJ Bey, I Butler, T Cofala, J Collins, WJ Derwent, RG Doherty, RM Drevet, J Eskes, HJ Fiore, AM Gauss, M Hauglustaine, DA Horowitz, LW Isaksen, ISA Krol, MC Lamarque, JF Lawrence, MG Montanaro, V Muller, JF Pitari, G Prather, MJ Pyle, JA Rast, S Rodriguez, JM Sanderson, MG Savage, NH Shindell, DT Strahan, SE Sudo, K Szopa, S AF Stevenson, DS Dentener, FJ Schultz, MG Ellingsen, K van Noije, TPC Wild, O Zeng, G Amann, M Atherton, CS Bell, N Bergmann, DJ Bey, I Butler, T Cofala, J Collins, WJ Derwent, RG Doherty, RM Drevet, J Eskes, HJ Fiore, AM Gauss, M Hauglustaine, DA Horowitz, LW Isaksen, ISA Krol, MC Lamarque, JF Lawrence, MG Montanaro, V Muller, JF Pitari, G Prather, MJ Pyle, JA Rast, S Rodriguez, JM Sanderson, MG Savage, NH Shindell, DT Strahan, SE Sudo, K Szopa, S TI Multimodel ensemble simulations of present-day and near-future tropospheric ozone SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Review ID CHEMISTRY TRANSPORT MODELS; GENERAL-CIRCULATION MODEL; BIOGENIC NOX EMISSIONS; GLOBAL CHEMICAL-MODEL; AIRCRAFT MOZAIC DATA; CLIMATE-CHANGE; NONMETHANE HYDROCARBONS; METHANE EMISSIONS; SURFACE OZONE; ATMOSPHERIC CHEMISTRY AB Global tropospheric ozone distributions, budgets, and radiative forcings from an ensemble of 26 state-of-the-art atmospheric chemistry models have been intercompared and synthesized as part of a wider study into both the air quality and climate roles of ozone. Results from three 2030 emissions scenarios, broadly representing "optimistic,'' "likely,'' and "pessimistic'' options, are compared to a base year 2000 simulation. This base case realistically represents the current global distribution of tropospheric ozone. A further set of simulations considers the influence of climate change over the same time period by forcing the central emissions scenario with a surface warming of around 0.7K. The use of a large multimodel ensemble allows us to identify key areas of uncertainty and improves the robustness of the results. Ensemble mean changes in tropospheric ozone burden between 2000 and 2030 for the 3 scenarios range from a 5% decrease, through a 6% increase, to a 15% increase. The intermodel uncertainty (+/-1 standard deviation) associated with these values is about +/-25%. Model outliers have no significant influence on the ensemble mean results. Combining ozone and methane changes, the three scenarios produce radiative forcings of -50, 180, and 300 mW m(-2), compared to a CO2 forcing over the same time period of 800-1100 mW m(-2). These values indicate the importance of air pollution emissions in short-to medium-term climate forcing and the potential for stringent/lax control measures to improve/worsen future climate forcing. The model sensitivity of ozone to imposed climate change varies between models but modulates zonal mean mixing ratios by +/-5 ppbv via a variety of feedback mechanisms, in particular those involving water vapor and stratosphere-troposphere exchange. This level of climate change also reduces the methane lifetime by around 4%. The ensemble mean year 2000 tropospheric ozone budget indicates chemical production, chemical destruction, dry deposition and stratospheric input fluxes of 5100, 4650, 1000, and 550 Tg(O-3) yr(-1), respectively. These values are significantly different to the mean budget documented by the Intergovernmental Panel on Climate Change (IPCC) Third Assessment Report (TAR). The mean ozone burden (340 Tg(O-3)) is 10% larger than the IPCC TAR estimate, while the mean ozone lifetime (22 days) is 10% shorter. Results from individual models show a correlation between ozone burden and lifetime, and each model's ozone burden and lifetime respond in similar ways across the emissions scenarios. The response to climate change is much less consistent. Models show more variability in the tropics compared to midlatitudes. Some of the most uncertain areas of the models include treatments of deep tropical convection, including lightning NOx production; isoprene emissions from vegetation and isoprene's degradation chemistry; stratosphere-troposphere exchange; biomass burning; and water vapor concentrations. C1 Univ Edinburgh, Sch Geosci, Edinburgh EH9 3J9, Midlothian, Scotland. Joint Res Ctr, Inst Environm & Sustainabil, I-21020 Ispra, Italy. Max Planck Inst Meteorol, D-20146 Hamburg, Germany. Univ Oslo, Dept Geosci, N-0316 Oslo, Norway. Royal Netherlands Meteorol Inst, De Bilt, Netherlands. Japan Marine Sci & Technol Ctr, Frontier Res Ctr Global Change, Kanazawa Ku, Yokohama, Kanagawa 2360001, Japan. Univ Cambridge, Ctr Atmospher Sci, Cambridge CB2 1EW, England. Int Inst Appl Syst Anal, A-2361 Laxenburg, Austria. Lawrence Livermore Natl Lab, Div Atmospher Sci, Livermore, CA 94550 USA. NASA, Goddard Inst Space Studies, New York, NY 10025 USA. Ecole Polytech Fed Lausanne, CH-1015 Lausanne, Switzerland. Max Planck Inst Chem, D-55128 Mainz, Germany. Hadley Ctr Climate Predict & Res, Met Off, Exeter EX1 3PB, Devon, England. rdscientific, Newbury RG14 6LH, Berks, England. NOAA, Geophys Fluid Dynam Lab, Princeton, NJ 08540 USA. Lab Sci Climat & Environm, F-91191 Gif Sur Yvette, France. Natl Ctr Atmospher Res, Div Atmospher Chem, Boulder, CO 80307 USA. Univ Aquila, Dipartimento Fis, I-67010 Laquila, Italy. Belgian Inst Space Aeron, B-1180 Brussels, Belgium. Univ Calif Irvine, Dept Earth Syst Sci, Irvine, CA 92697 USA. Univ Miami, Rosenstiel Sch Marine & Atmospher Sci, Miami, FL 33149 USA. NASA, Goddard Space Flight Ctr, Greenbelt, MD USA. RP Univ Edinburgh, Sch Geosci, Crew Bldg,Kings Bldg, Edinburgh EH9 3J9, Midlothian, Scotland. EM dstevens@staffmail.ed.ac.uk RI Horowitz, Larry/D-8048-2014; Lamarque, Jean-Francois/L-2313-2014; Unger, Nadine/M-9360-2015; Pitari, Giovanni/O-7458-2016; Schultz, Martin/I-9512-2012; Wild, Oliver/A-4909-2009; Collins, William/A-5895-2010; Szopa, Sophie/F-8984-2010; Krol, Maarten/B-3597-2010; Bergmann, Daniel/F-9801-2011; Butler, Tim/G-1139-2011; Stevenson, David/C-8089-2012; Rodriguez, Jose/G-3751-2013; Krol, Maarten/E-3414-2013; Shindell, Drew/D-4636-2012; Strahan, Susan/H-1965-2012; Magana, Felipe/B-6966-2013 OI Horowitz, Larry/0000-0002-5886-3314; Lamarque, Jean-Francois/0000-0002-4225-5074; Pitari, Giovanni/0000-0001-7051-9578; Schultz, Martin/0000-0003-3455-774X; Savage, Nicholas/0000-0001-9391-5100; Derwent, Richard/0000-0003-4498-645X; Wild, Oliver/0000-0002-6227-7035; Collins, William/0000-0002-7419-0850; Szopa, Sophie/0000-0002-8641-1737; Bergmann, Daniel/0000-0003-4357-6301; Stevenson, David/0000-0002-4745-5673; Rodriguez, Jose/0000-0002-1902-4649; NR 155 TC 402 Z9 405 U1 12 U2 110 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X EI 2169-8996 J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD APR 26 PY 2006 VL 111 IS D8 AR D08301 DI 10.1029/2005JD006338 PG 23 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 040WQ UT WOS:000237412100003 ER PT J AU Ritter, C Magen, C Morellon, L Algarabel, PA Ibarra, MR Pecharsky, VK Tsokol, AO Gschneidner, KA AF Ritter, C Magen, C Morellon, L Algarabel, PA Ibarra, MR Pecharsky, VK Tsokol, AO Gschneidner, KA TI Magnetic and crystal structures of Er-5(SixGe1-x)(4) SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID NEUTRON POWDER DIFFRACTION; PHASE-TRANSITION; GIANT MAGNETORESISTANCE; GD-5(SI2GE2); GD-5(SI1.8GE2.2); BEHAVIOR; SILICON; ALLOYS; FIELD AB The magnetic and crystallographic structures in the Er-5(SixGe1-x)(4) System have been investigated for x = 1, 0.875 and 0 using macroscopic magnetic measurements and neutron powder diffraction. The existence of a first-order structural transformation from a high-temperature orthorhombic 0(1) structure to a low-temperature monoclinic M polymorph in the ternperature range 160-220 K has been confirmed for Er5Si4. In contrast, compounds with x = 0.875 and 0 retain their room-temperature crystallographic phases-M and 0(11), respectively-on cooling down to 2 K. Both Si-containing alloys adopt canted ferromagnetic structures below T-C congruent to 30 K with an easy magnetization direction along the b-axis and a weak anti ferro magnetic coupling in the (010) plane. The Er5Ge4 compound orders anti ferromagnetically at T-N = 14 K in a complex incommensurate structure. C1 Univ Zaragoza, Inst Ciencia Mat Aragon, E-50009 Zaragoza, Spain. CSIC, E-50009 Zaragoza, Spain. Inst Max Von Laue Paul Langevin, F-38042 Grenoble, France. Univ Zaragoza, Inst Nanociencia Aragon, E-50009 Zaragoza, Spain. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Morellon, L (reprint author), Univ Zaragoza, Inst Ciencia Mat Aragon, E-50009 Zaragoza, Spain. EM morellon@unizar.es RI D2B, Instrument/F-1072-2012; Magen, Cesar/A-2825-2013; Algarabel, Pedro/K-8583-2014; Ibarra, Manuel Ricardo/K-1150-2014; OI Algarabel, Pedro/0000-0002-4698-3378; Ibarra, Manuel Ricardo/0000-0003-0681-8260; /0000-0003-3724-508X NR 28 TC 21 Z9 21 U1 1 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD APR 26 PY 2006 VL 18 IS 16 BP 3937 EP 3950 DI 10.1088/0953-8984/18/16/004 PG 14 WC Physics, Condensed Matter SC Physics GA 045NO UT WOS:000237749000012 ER PT J AU Demsar, J Sarrao, JL Taylor, AJ AF Demsar, Jure Sarrao, John L. Taylor, Antoinette J. TI Dynamics of photoexcited quasiparticles in heavy electron compounds SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Review ID FEMTOSECOND SPECTROSCOPY; RELAXATION DYNAMICS; SUPERCONDUCTORS; TIME; YBA2CU3O7-DELTA; YBIN1-XAGXCU4; CONDUCTIVITY; EXCITATIONS; LIFETIMES; YBAGCU4 AB Fermosecond real-time spectroscopy is an emerging new tool for studying low energy electronic structure in correlated electron systems. Motivated by recent advances in understanding the nature of relaxation phenomena in various correlated electron systems (superconductors, density wave systems) the technique has been applied to heavy electron compounds in comparison with their non-magnetic counterparts. While the dynamics in their non-magnetic analogues are similar to the dynamics observed in noble metals (only weak temperature dependences are observed) and can be treated with a simple two-temperature model, the photoexcited carrier dynamics in heavy electron systems show dramatic changes as a function of temperature and excitation level. In particular, below some characteristic temperature the relaxation rate starts to decrease, dropping by more than two orders of magnitude upon cooling down to liquid He temperatures. This behaviour has been consistently observed in various heavy fermion metals as well as Kondo insulators, and is believed to be quite general. In order to account for the experimental observations, two theoretical models have been proposed. The first treats the heavy electron systems as simple metals with very flat electron dispersion near the Fermi level. An electron-phonon thermalization scenario can account for the observed slowing down of the relaxation provided that there exists a mechanism for suppression of electron-phonon scattering when both the initial and final electronic states lie in the region of flat dispersion. An alternative scenario argues that the relaxation dynamics in heavy electron systems are governed by the Rothwarf-Taylor bottleneck, where the dynamics are governed by the presence of a narrow gap in the density of states near the Fermi level. The so-called hybridization gap results from hybridization between localized moments and the conduction electron background. Remarkable agreement with the model suggests that carrier relaxation in a broad class of heavy electron systems (both metals and insulators) is governed by the presence of a (weakly temperature dependent) indirect hybridization gap. C1 Jozef Stefan Inst, SI-1000 Ljubljana, Slovenia. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Demsar, J (reprint author), Jozef Stefan Inst, Jamova 39, SI-1000 Ljubljana, Slovenia. RI Demsar, Jure/B-5578-2008; Demsar, Jure/F-7243-2016 OI Demsar, Jure/0000-0003-4551-7444; NR 55 TC 29 Z9 30 U1 2 U2 17 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 EI 1361-648X J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD APR 26 PY 2006 VL 18 IS 16 BP R281 EP R314 DI 10.1088/0953-8984/18/16/R01 PG 34 WC Physics, Condensed Matter SC Physics GA 045NO UT WOS:000237749000008 PM 21690740 ER PT J AU Peng, HS Tang, J Yang, L Pang, JB Ashbaugh, HS Brinker, CJ Yang, ZZ Lu, YF AF Peng, HS Tang, J Yang, L Pang, JB Ashbaugh, HS Brinker, CJ Yang, ZZ Lu, YF TI Responsive periodic mesoporous polydiacetylene/silica nanocomposites SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID ORGANIC GROUPS; CHANNEL WALLS; SILICA C1 Tulane Univ, Dept Chem & Biomol Engn, New Orleans, LA 70118 USA. Chinese Acad Sci, Inst Chem, State Key Lab Polymer Phys & Chem, Beijing 100080, Peoples R China. Univ New Mexico, Albuquerque, NM 87106 USA. Sandia Natl Labs, Albuquerque, NM 87106 USA. RP Lu, YF (reprint author), Tulane Univ, Dept Chem & Biomol Engn, New Orleans, LA 70118 USA. EM ylu@tulane.edu RI Yang, Lu/A-5446-2010; Ashbaugh, Henry/C-9767-2011; 杨, 振忠/B-5929-2015; Peng, Huisheng/G-8867-2011 NR 19 TC 112 Z9 113 U1 3 U2 59 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD APR 26 PY 2006 VL 128 IS 16 BP 5304 EP 5305 DI 10.1021/ja0575732 PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 037CU UT WOS:000237125100002 PM 16620077 ER PT J AU Liang, CD Dai, S AF Liang, CD Dai, S TI Synthesis of mesoporous carbon materials via enhanced hydrogen-bonding interaction SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID PHENOLIC RESIN; TRANSFORMATION; FRAMEWORKS; COPOLYMER; TEMPLATES; POLYMERS C1 Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Dai, S (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM dais@ornl.gov RI Liang, Chengdu/G-5685-2013; Dai, Sheng/K-8411-2015 OI Dai, Sheng/0000-0002-8046-3931 NR 17 TC 474 Z9 487 U1 23 U2 283 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD APR 26 PY 2006 VL 128 IS 16 BP 5316 EP 5317 DI 10.1021/ja060242k PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 037CU UT WOS:000237125100008 PM 16620083 ER PT J AU Botar, B Kogerler, P Hill, CL AF Botar, B Kogerler, P Hill, CL TI A nanoring-nanosphere molecule, {Mo214V30}: Pushing the boundaries of controllable inorganic structural organization at the molecular level SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID OXIDE-BASED NANOOBJECT; MOLYBDENUM; KEPLERATE; SPHERES; COMPLEX; CLUSTER; MAGNETS; BLOCKS; BLUES C1 Emory Univ, Dept Chem, Atlanta, GA 30322 USA. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Hill, CL (reprint author), Emory Univ, Dept Chem, 1515 Pierce Dr, Atlanta, GA 30322 USA. EM chill@emory.edu RI Kogerler, Paul/H-5866-2013 OI Kogerler, Paul/0000-0001-7831-3953 NR 23 TC 46 Z9 46 U1 0 U2 8 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD APR 26 PY 2006 VL 128 IS 16 BP 5336 EP 5337 DI 10.1021/ja060886s PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 037CU UT WOS:000237125100018 PM 16620093 ER PT J AU Velmurugan, D Rajakannan, V Gayathri, D Banumathi, S Yamane, T Dauter, Z Dauter, M Sekar, K AF Velmurugan, D Rajakannan, V Gayathri, D Banumathi, S Yamane, T Dauter, Z Dauter, M Sekar, K TI Ab initio structure determination of the triple mutant (K53,56,121M) of bovine pancreatic phospholipase A(2) at atomic and high resolution using ACORN SO CURRENT SCIENCE LA English DT Article DE ab initio phasing; ACORN; bovine pancreatic phospholipase A(2); triple mutant ID X-RAY; MACROMOLECULAR STRUCTURES; ANOMALOUS SCATTERING; CRYSTAL-STRUCTURE; SMALL PROTEIN; REFINEMENT; SUBSTRUCTURE; ROLES; SNB AB Atomic resolution (0.97 angstrom) data were collected for the triple mutant (K53,56,121M) of bovine pancreatic phospholipase A(2) at 100 K and data extending to LOA resolution were used for the present study. Accuracy of the data at high resolution allowed the structure to be solved using the program ACORN, with a random single-atom start in an ab initio manner. The phases obtained from ACORN are of good quality and revealed most of the amino acid residues. Single wavelength Anomalous Diffraction (SAD) data were also used to locate the position of the sulphurs and ACORN was run with these atomic positions as a source of phasing in- formation. The effect of truncating the data to 1.4 and 1.45 angstrom for input to ACORN is also examined. Larger fragments are required to trigger successful phase refinement at these lower resolutions. C1 Indian Inst Sci, Bioinformat Ctr, Bangalore 560012, Karnataka, India. Indian Inst Sci, Supercomp Educ & Res Ctr, Bangalore 560012, Karnataka, India. Univ Madras, Dept Crystallog & Biophys, Madras 600025, Tamil Nadu, India. NCI, Synchrotron Radiat Res Sect, Upton, NY 11973 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. Nagoya Univ, Dept Biotechnol & Biomat Sci, Grad Sch Engn, Nagoya, Aichi 4648603, Japan. Brookhaven Natl Lab, Basic Res Program, SAIC Frederick Inc, Upton, NY 11973 USA. RP Sekar, K (reprint author), Indian Inst Sci, Bioinformat Ctr, Bangalore 560012, Karnataka, India. EM sekar@physics.iisc.ernet.in NR 26 TC 2 Z9 2 U1 0 U2 2 PU INDIAN ACAD SCIENCES PI BANGALORE PA C V RAMAN AVENUE, SADASHIVANAGAR, P B #8005, BANGALORE 560 080, INDIA SN 0011-3891 J9 CURR SCI INDIA JI Curr. Sci. PD APR 25 PY 2006 VL 90 IS 8 BP 1091 EP 1099 PG 9 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 039XN UT WOS:000237341800016 ER PT J AU Berryman, JG AF Berryman, JG TI Geomechanical analysis with rigorous error estimates for a double-porosity reservoir model SO INTERNATIONAL JOURNAL FOR NUMERICAL AND ANALYTICAL METHODS IN GEOMECHANICS LA English DT Article DE double-porosity; up-scaling; multiscale modelling; semi-analytical methods ID TETRAGONAL SYMMETRIES; RANDOM POLYCRYSTALS; ELASTIC-CONSTANTS; BOUNDS; MODULI AB A model of random polycrystals of porous laminates is introduced to provide a means for studying geomechanical properties of double-porosity reservoirs having one class of possible microstructures. Calculations on the resulting earth reservoir model can proceed semi-analytically for studies of either the poroelastic or transport coefficients, but the poroclastic coefficients are emphasized here. Rigorous bounds of the Hashin-Shtrikman type provide estimates of overall bulk and shear moduli, and thereby also provide rigorous error estimates for geomechanical constants obtained from up-scaling based on a self-consistent effective medium method. The influence of hidden (or presumed unknown) microstructure on the final results can then be evaluated quantitatively. Detailed descriptions of the use of the model and some numerical examples showing typical results for the double-porosity poroelastic coefficients for the type of heterogeneous reservoir being considered are presented. Copyright (c) 2005 John Wiley & Sons, Ltd. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Lawrence Livermore Natl Lab, POB 808 L-200, Livermore, CA 94551 USA. EM berryman1@llnl.gov RI Berryman, James/A-9712-2008 NR 30 TC 0 Z9 0 U1 1 U2 3 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0363-9061 EI 1096-9853 J9 INT J NUMER ANAL MET JI Int. J. Numer. Anal. Methods Geomech. PD APR 25 PY 2006 VL 30 IS 5 BP 441 EP 453 DI 10.1002/nag.489 PG 13 WC Engineering, Geological; Materials Science, Multidisciplinary; Mechanics SC Engineering; Materials Science; Mechanics GA 038NN UT WOS:000237229600004 ER PT J AU Li, F Balastre, M Schorr, P Argillier, JF Yang, JC Mays, JW Tirrell, M AF Li, F Balastre, M Schorr, P Argillier, JF Yang, JC Mays, JW Tirrell, M TI Differences between tethered polyelectrolyte chains on bare mica and hydrophobically modified mica SO LANGMUIR LA English DT Article ID AMPHIPHILIC DIBLOCK COPOLYMERS; SELF-ASSEMBLED MONOLAYERS; SURFACE FORCES APPARATUS; BLOCK-COPOLYMERS; POLYMER BRUSHES; COUNTERION CONDENSATION; ADSORPTION; MICELLIZATION; ELECTROLYTE; SILICA AB This study investigates the structures of layers of amphiphilic diblock copolymers of poly(t-butyl styrene)(-)poly(styrene sulfonate) (PtBS-PSS) adsorbed on both the bare mica surface (hydrophilic) and an octadecyltriethoxysilane (OTE)-modified mica surface (hydrophobic). When the surface is rendered hydrophobic, the nonsoluble block exhibits stronger interaction with the surface and higher adsorbed masses are achieved. Interaction forces between two such adsorbed layers on both substrates were measured using the surface forces apparatus. The effect of salt concentration (C-s) and molecular weight (N) on the height of the self-assembled layers (L-0) was examined in each case. The resulting scaling relationship is in good agreement with predictions of the brush model, L-0 proportional to N-1.0 in the low-salt limit and L0N-1 proportional to (C-s/sigma)(-0.32) in the salted regime, when adsorption takes place onto the hydrophobized mica surface. For adsorption on the bare mica surface, L0N-0-7 proportional to C-s(-0.17) agrees with the scaling prediction of the sparse tethering model. The results suggest that, on the hydrophilic bare mica surface, the adsorbed amount is not high enough to form a brush structure and only very little intermolecular stretching of the tethered chains occurs; in contrast, the presence of the hydrophobic OTE layer increases the tethering density such that the polyelectrolyte chains adopt a brush conformation. C1 Univ Calif Santa Barbara, Dept Chem Engn, Santa Barbara, CA 93106 USA. Univ Calif Santa Barbara, Mat Res Lab, Santa Barbara, CA 93106 USA. Inst Francais Petr, F-92582 Rueil Malmaison, France. Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Tirrell, M (reprint author), Univ Calif Santa Barbara, Dept Chem Engn, Santa Barbara, CA 93106 USA. EM tirrell@engineering.ucsb.edu RI IFPEN, Publications/A-8028-2008; Physico chimie, Direction Physico /C-1380-2013 NR 51 TC 23 Z9 23 U1 2 U2 17 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD APR 25 PY 2006 VL 22 IS 9 BP 4084 EP 4091 DI 10.1021/la0522931 PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 035GR UT WOS:000236989300020 PM 16618148 ER PT J AU Zhao, XC Leng, YS Cummings, PT AF Zhao, XC Leng, YS Cummings, PT TI Self-assembly of 1,4-benzenedithiolate/tetrahydrofuranon a gold surface: A Monte Carlo simulation study SO LANGMUIR LA English DT Article ID AU(111) SURFACE; SILVER SURFACES; FORCE-FIELD; ALKANETHIOL MONOLAYERS; MOLECULAR SIMULATION; TRANSPORT-PROPERTIES; ADSORPTION; CONDUCTANCE; THIOL; TETRAHYDROFURAN AB We report a Monte Carlo simulation study of the self-assembly of 1,4-benzenedithiolate (BDT), tetrahydrofuran (THF), and their mixtures on a Au (111) surface. We use the grand canonical Monte Carlo method to obtain the equilibrium adsorption coverage. Canonical ensemble (NVT) simulation is then used to explore further the structural information of the equilibrated systems. Our results indicate that BDT molecules adsorb onto the Au (111) surface with one of the sulfur atoms bonded to Au atoms. THF molecules form clusters on the surface. For BDT-THF mixtures, BDT can selectively adsorb on Au (111) to form a monolayer, whereas the solvent THF molecules either float above BDT monolayer or occupy vacancies on the surface that are not covered by BDT molecules. BDT molecules adsorb on a Au (111) surface with an average tilt angle of about 18-35 degrees to the surface normal. The tilting angle decreases as the coverage increases. In addition, the BDT monolayer constitutes an ordered herringbone structure on the Au (111) surface, and the ordering pattern is insensitive to the BDT coverage. In comparison, the THF molecules exhibit amorphous structure on the Au surface. Interestingly, simulations indicate that the bonding behavior of BDT molecules on Au (111) is coverage-dependent. BDT bonds preferably on the Au top site when the surface coverage is low. As coverage increases, most BDT molecules bond on the bridge and fcc hollow sites. C1 Oak Ridge Natl Lab, Nanomat Theory Inst, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. Vanderbilt Univ, Dept Chem Engn, Nashville, TN 37235 USA. RP Zhao, XC (reprint author), Oak Ridge Natl Lab, Nanomat Theory Inst, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM zhaox@oml.gov RI Cummings, Peter/B-8762-2013 OI Cummings, Peter/0000-0002-9766-2216 NR 62 TC 27 Z9 27 U1 1 U2 22 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD APR 25 PY 2006 VL 22 IS 9 BP 4116 EP 4124 DI 10.1021/la0532252 PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 035GR UT WOS:000236989300025 PM 16618153 ER PT J AU Park, HY Li, HW Yeung, ES Porter, MD AF Park, HY Li, HW Yeung, ES Porter, MD TI Single molecule adsorption at compositionally patterned self-assembled monolayers on gold: Role of domain boundaries SO LANGMUIR LA English DT Article ID QUARTZ-CRYSTAL MICROBALANCE; THIOL MONOLAYERS; CELL ATTACHMENT; DNA-MOLECULES; SURFACES; BIOPOLYMER; SAMS; SPECTROSCOPY; DESORPTION; INTERFACES AB This paper examines the single-molecule adsorption of YOYO-I-labeled lambda-DNA at compositionally patterned self-assembled monolayers (SAMs). The interactions of fluorescently labeled lambda-DNA molecule with the patterned SAMs, which are comprised of different functional groups (i.e., amine-, alcohol-, and acid-terminated thiolates), were monitored at optically transparent gold films using total internal reflection fluorescence microscopy. The role of solution pH, A-DNA concentration, and domain size was investigated. In addition to delineation of the relative adsorption strength as a function of terminal group identity (NH2 > COOH > OH), the potential importance of structural defects was also revealed. The latter result, found both at the disordered boundaries between domains and at adlayers in which structural order was affected by the length of the alkyl chain, points to the subtle but preferential adsorption of the "sticky ends" of lambda-DNA. These experiments also detected an intriguing dependence of adsorption with respect to domain size. C1 Iowa State Univ, Ames Lab, USDOE, Ames, IA 50011 USA. Iowa State Univ, Dept Chem, Ames, IA 50011 USA. Iowa State Univ, Ames Lab, USDOE, Dept Chem, Ames, IA 50011 USA. Iowa State Univ, Dept Biol & Chem Engn, Ames, IA 50011 USA. Iowa State Univ, Inst Combinatorial Discovery, Ames, IA 50011 USA. RP Porter, MD (reprint author), Iowa State Univ, Ames Lab, USDOE, Ames, IA 50011 USA. EM mporter@alan.ameslab.gov OI Li, Hung Wing/0000-0003-4840-1965 NR 37 TC 10 Z9 10 U1 0 U2 9 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD APR 25 PY 2006 VL 22 IS 9 BP 4244 EP 4249 DI 10.1021/la053100x PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 035GR UT WOS:000236989300043 PM 16618171 ER PT J AU Subramaniam, A Koch, CT Cannon, RM Ruhle, M AF Subramaniam, A Koch, CT Cannon, RM Ruhle, M TI Intergranular glassy films: An overview SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Review DE intergranular glassy film; amorphous structure; equilibrium thickness; partial ordering; diffuse interface; transmission electron microscopy; colloidal behaviour ID SILICON-NITRIDE CERAMICS; GRAIN-BOUNDARY PHASE; MOLECULAR-DYNAMICS SIMULATIONS; ZINC-OXIDE VARISTOR; AMORPHOUS FILMS; ELECTRON-MICROSCOPY; POLYCRYSTALLINE CERAMICS; THERMODYNAMIC STABILITY; EQUILIBRIUM-THICKNESS; ATOMISTIC STRUCTURE AB In certain ceramics like Si3N4, SiC, SrTiO3, Al2O3, etc., the grain boundary (GB) region can have an amorphous film of about 1-2 nm thickness. These inter-ranular glassy films (IGFs) are characterized by a nearly constant thickness which is basically independent of the orientation of the bounding grains, but is dependent on the composition of the ceramic. The IGF is resistant to crystallization and is thought to represent an equilibrium configuration. The presence of the IGF, along with its structure, plays an important role in determining the properties of the ceramic as a whole. Important amongst these properties, keeping in mind the system based specificities, are fracture, creep, oxidation and electrical behaviour. Depending on the system, various synthetic routes like liquid phase sintering, solid-state activated sintering, crystallization of glass surrounding the crystal. etc., have led to the formation of IGFs. Equilibrium thickness amorphous films on surfaces have also been synthesized which are considered to be the surface analogue of IGFs. Important advances in the microscopy techniques have provided invaluable insights into the structure of IGFs, along with its interface with the bounding crystals. These techniques include: high-resolution microscopy, Fresnel contrast imaging, diffuse dark field imaging. diffraction analysis, electron holography, high-angle annular dark field imaging, energy-dispersive X-ray analysis and electron energy loss spectroscopy. It is now being progressively realized that the composition and structure within the IGF is graded, i.e., it has a diffuse interface with the bounding crystals and that the amorphous material in the IGF is different from the bulk glass forming in that system. The order induced by the bounding crystals on the IGF is seen as a contributing factor to the gradation. In spite of the achievements, a lot of open questions remain regarding the formation of IGFs, its behaviour with temperature, its dependence on crystallography of the bounding grains, etc. This overview aims at introducing IGFs to a non-specialist audience, summarizing the important advances in the field and outlining the outstanding issues. (c) 2006 Elsevier B.V. All rights reserved. C1 Indian Inst Technol, New Delhi 110016, India. Max Planck Inst Met Res, D-70569 Stuttgart, Germany. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Subramaniam, A (reprint author), Indian Inst Technol, New Delhi 110016, India. EM anandh333@rediffmail.com RI Koch, Christoph/E-9689-2011 OI Koch, Christoph/0000-0002-3984-1523 NR 122 TC 45 Z9 46 U1 2 U2 41 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD APR 25 PY 2006 VL 422 IS 1-2 BP 3 EP 18 DI 10.1016/j.msea.2006.01.004 PG 16 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 048LE UT WOS:000237947800002 ER PT J AU Luo, J Tang, M Cannon, RM Carter, WC Chiang, YM AF Luo, J Tang, M Cannon, RM Carter, WC Chiang, YM TI Pressure-balance and diffuse-interface models for surficial amorphous films SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE surficial amorphous films; intergranular amorphous films; multilayer adsorption; prewetting; premelting; diffuse interface ID PHASE FIELD MODEL; EQUILIBRIUM-THICKNESS; INTERGRANULAR FILMS; GRAIN-BOUNDARIES; POLYCRYSTALLINE CERAMICS; BI2O3-DOPED ZNO; SILICON-NITRIDE; CRITICAL-POINT; ZINC-OXIDE; STABILITY AB Recent observations of nanoscale surficial amorphous films in Bi2O3-doped ZnO are briefly reviewed. The experimental results are modeled with two approaches. A pressure-balance model with the volumetric free energy being the dominant temperature-dependent interaction extended from Clarke's intergranular films model is proposed and numerically evaluated. This quantitative model predicts thicknesses versus temperature behavior for subeutectic films consistent with experimental results. Alternatively, the sequence of adsorption and wetting events as a function of temperature and composition is interpreted as a case of combined surface prewetting and premelting in a two-component system with a bulk eutectic reaction as a generalization of Cahn's critical point wetting model. In this second approach that better represents the through-thickness gradients, diffuse-interface formulation is proposed and analyzed for assessing surficial film stability as well as associated drying and complete wetting transitions. The observation made for Bi2O3 on ZnO can be represented by one of the possible surface prewetting/premelting phase diagrams. (c) 2006 Elsevier B.V. All rights reserved. C1 MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. Clemson Univ, Sch Mat Sci & Engn, Clemson, SC USA. Clemson Univ, Ctr Opt Mat Sci & Engn Technol, Clemson, SC USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA USA. RP Chiang, YM (reprint author), MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. EM ychiang@mit.edu RI Luo, Jian/A-4777-2008; Carter, W/K-2406-2012 NR 37 TC 32 Z9 32 U1 1 U2 7 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD APR 25 PY 2006 VL 422 IS 1-2 BP 19 EP 28 DI 10.1016/j.msea.2006.01.001 PG 10 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 048LE UT WOS:000237947800003 ER PT J AU Gu, H Cannon, RM Tanaka, I Ruhle, M AF Gu, Hui Cannon, Rowland M. Tanaka, Isao Ruehle, Manfred TI Calcia partition in phase-separated intergranular glass and interfaces in doped silicon nitride produced by hot isostatic pressing SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE silicon nitride; intergranular glass; interface; phase separation; analytical electron microscopy; electron energy-loss spectroscopy ID O-N GLASSES; SPATIALLY-RESOLVED ANALYSIS; ENERGY-LOSS SPECTROSCOPY; GRAIN-BOUNDARY FILMS; ELECTRON-MICROSCOPY; POLYCRYSTALLINE CERAMICS; EQUILIBRIUM THICKNESS; OXYNITRIDE GLASSES; ELNES SEPARATION; ZINC-OXIDE AB It was previously found that CaO additives in Si(3)N(4) containing SiO(2) segregate to the similar to 1 nm thin amorphous grain boundaries in preference to dissolving in the interior of the SiO(2) rich glass pockets. Moreover, Ca was detected at some of the beta-Si(3)N(4)/Silica interfaces. Using sensitive imaging and analytical methods available from modern transmission electron microscopy (TEM) and scanning transmission electron microscopy (STEM), the Ca distribution was accurately mapped with a resolution approaching I run. Liquid-liquid phase separation occurs at the liquid (now glass) triple pockets at higher Ca levels. Electron energy-loss spectrometry provides compositions of the separated phases, one being nearly pure SiO(2) and the other containing significant Ca and N, and also insights about their bonding nature. The Ca and N containing liquid tends to reside in the tips of the liquid pockets with re-entrant geometries. The two beta-Si(3)N(4)/liquid interfaces and the actual triple line regions were also assessed. Evidence emerged that these entities are diffuse spanning well more than a nanometer in width and having high N levels; Ca also often adsorbs to these. The beta-Si(3)N(4)/liquid interfaces for the two liquids have different compositions, and that of the grain boundary film is intermediate between these values. Thus, this chemical information yields a comprehensive picture of this phase separation and of the various interfaces in this system. (c) 2006 Elsevier B.V. All rights reserved. C1 Shanghai Inst Ceram, State Key Lab High Performance Ceram & Superfine, Shanghai 200050, Peoples R China. Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. Kyoto Univ, Dept Mat Sci & Engn, Kyoto 6068501, Japan. Max Planck Inst Met Res, D-70174 Stuttgart, Germany. RP Gu, H (reprint author), Shanghai Inst Ceram, State Key Lab High Performance Ceram & Superfine, Shanghai 200050, Peoples R China. EM gu@mail.sic.ac.cn RI Tanaka, Isao/B-5941-2009 NR 76 TC 10 Z9 10 U1 0 U2 8 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD APR 25 PY 2006 VL 422 IS 1-2 BP 51 EP 65 DI 10.1016/j.msea.2006.01.012 PG 15 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 048LE UT WOS:000237947800006 ER PT J AU Satet, RL Hoffmann, MJ Cannon, RM AF Satet, Raphaaelle L. Hoffmann, Michael J. Cannon, Rowland M. TI Experimental evidence of the impact of rare-earth elements on particle growth and mechanical behaviour of silicon nitride SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE silicon nitride; rare-earth; mechanical behaviour; grain growth anisotropy ID IMPROVED FRACTURE-TOUGHNESS; HOT-PRESSED SI3N4; GRAIN-GROWTH; MICROSTRUCTURAL DESIGN; OXYNITRIDE GLASSES; CRACK DEFLECTION; TOUGHENED CERAMICS; BETA-SI3N4; PHASE; STRENGTH AB The impact of various rare-earth and related doping elements (R = Lu, Sc, Yb, Y, Sin, La) on the grain growth anisotropy and the mechanical properties of polycrystalline beta-silicon nitride ceramics has been studied. Model experiments, in which Si(3)N(4) Particles can grow freely in an R-Si-Mg-oxynitride glass matrix, show that, with increasing ionic radius of the additive, grain anisotropy increases due to non-linear growth kinetics. Toughness and strength are affected by the rare-earth element. Samples of equivalent grain sizes and morphologies yield an increasing toughness with increasing ion size of the R(3+), reflecting an increasingly intergranular crack path. These samples are also strong and flaw tolerant, but the trends of strength and toughness do not exactly match. The choice of the rare-earth is essential to tailor microstructure, interfacial strength and mechanical properties. However, somewhat different trends for properties from IIIb and lanthanide additives indicate that more than the R3(+) size (i.e., purely ionic bond strength between R(3+) and its neighbours) is important. The electronic structure of the R-element is responsible for the type of dopant adsorption and the properties of the interface. (c) 2006 Published by Elsevier B.V. C1 Univ Karlsruhe, Inst Keramik Maschinenbau, D-76131 Karlsruhe, Germany. Lawrence Berkeley Natl Lab, Div Sci Mat, Berkeley, CA 94720 USA. RP Satet, RL (reprint author), Univ Karlsruhe, Inst Keramik Maschinenbau, Haid Und Neu Str 7, D-76131 Karlsruhe, Germany. EM raphaelle.satet@ikm.uka.de NR 54 TC 47 Z9 48 U1 4 U2 14 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD APR 25 PY 2006 VL 422 IS 1-2 BP 66 EP 76 DI 10.1016/j.msea.2006.01.015 PG 11 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 048LE UT WOS:000237947800007 ER PT J AU Becher, PF Painter, GS Shibata, N Satet, RL Hoffmann, MJ Pennycook, SJ AF Becher, P. F. Painter, G. S. Shibata, N. Satet, R. L. Hoffmann, M. J. Pennycook, S. J. TI Influence of additives on anisotropic grain growth in silicon nitride ceramics SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE grain growth; silicon nitride; rare earths; segregation; atomic adsorption ID BETA-SI3N4 CRYSTAL MORPHOLOGY; IMPROVED FRACTURE-TOUGHNESS; ALPHA-BETA-TRANSFORMATION; MICROSTRUCTURAL DESIGN; OXYNITRIDE GLASSES; SIALON; MECHANISM; LIQUID; PHASE; SI3N4 AB Tailoring microstructure and composition are critical components for obtaining high-performance silicon nitride (Si(3)N(4)) ceramics. Anisotropic growth behavior of Si(3)N(4) grains can be used to form very elongated grains, which serve to reinforce the matrix analogous to whisker-reinforcement of ceramics. The Si(3)N(4) grain morphology is known to be very sensitive to the particular additive used, especially in the case of the oxides of the rare earths (RE) and Group III elements. However, the atomistic mechanisms by which this occurs has not been understood until now. A first-principles model, the differential binding energy, has been developed to characterize the competition between RE and Si for migrating to the beta-Si(3)N(4) grain surfaces. The theory predicts that, of the RE, La should have the strongest and Lu the weakest preferential segregation to the grain surfaces. Additional calculations define the adsorption sites and their binding strengths for each of the REs on the prismatic plane of the Si(3)N(4) grains. These predictions are confirmed by unique atomic-resolution images obtained by aberration-corrected Z-contrast scanning transmission electron microscopy (STEM). The combined theoretical and STEM studies reveal that the elements that induce the greatest observed grain anisotropy are those with the strongest preferential segregation plus high binding strength to the prismatic grain surface. Advances now allow one to use first principles calculations to determine the chemical affinity and bonding of the rare earths, as well as other elements, at the grain interfaces; atomistic factors that actually control the growth anisotropy as opposed to the commonly considered ion size, which at best, only provides a trend. (c) 2006 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. Univ Tokyo, Inst Engn Innovat, Tokyo, Japan. Univ Karlsruhe, Inst Ceram Mech Engn, Karlsruhe, Germany. Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN USA. RP Becher, PF (reprint author), Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. EM becherpf@ornl.gov RI Shibata, Naoya/E-5327-2013 NR 38 TC 45 Z9 46 U1 0 U2 21 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD APR 25 PY 2006 VL 422 IS 1-2 BP 85 EP 91 DI 10.1016/j.msea.2006.01.006 PG 7 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 048LE UT WOS:000237947800009 ER PT J AU Bhattacharyya, S Subramaniam, A Koch, CT Cannon, RM Ruhle, M AF Bhattacharyya, S Subramaniam, A Koch, CT Cannon, RM Ruhle, M TI The evolution of amorphous grain boundaries during in-situ heating experiments in Lu-Mg doped Si3N4 SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE intergranular glassy film; equilibrium thickness; in-situ heating; high-resolution microscopy; fresnel fringes ID TRANSMISSION ELECTRON-MICROSCOPY; INTERGRANULAR GLASSY FILMS; SILICON-NITRIDE CERAMICS; PHASE-TRANSITIONS; THICKNESS; MICROSTRUCTURE; PARTICLES; BEHAVIOR AB The presence of 1-2 nm wide intergranular glassy films (IGFs) found in ceramics such as Si3N4 and SiC strongly influences the properties of the material, including its fracture and creep behaviour. It is therefore important to know the evolution of the film as a function of temperature. Experiments, wherein liquid phase sintered Si3N4 samples were quenched from high temperatures, have been carried out before and shown intriguing results. In the current investigation, in-situ heating experiments have been conducted in 120 kV and 400 kV microscopes, in order to separate beam irradiation from temperature effects. Based on the literature, it was expected that no changes would occur to the IGF below 1000 degrees C. However, it was surprising to note that the thickness measured at 950 degrees C was higher than that at room temperature. The correlation in trends observed in both microscopes shows that electron radiation has a minimal contribution to the change in IGF width at 950 degrees C. No change to the thickness was observed when heating up to 650 degrees C. After cooling back to room temperature there is a reduction in the thickness and thus a tendency to regain the original value of the thickness before heating. We conclude from these observations that certain material transport processes could be active at rather low temperatures (for Si3N4). Possible mechanisms and sources of artifacts are also discussed. (c) 2006 Elsevier B.V. All rights reserved. C1 Max Planck Inst Met Res, D-70569 Stuttgart, Germany. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Bhattacharyya, S (reprint author), Max Planck Inst Met Res, HeisenbergStr 3, D-70569 Stuttgart, Germany. EM somnath@mf.mpg.de RI Koch, Christoph/E-9689-2011; Bhattacharyya, Somnath/E-5469-2011 OI Koch, Christoph/0000-0002-3984-1523; Bhattacharyya, Somnath/0000-0001-5976-3289 NR 27 TC 6 Z9 6 U1 0 U2 3 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD APR 25 PY 2006 VL 422 IS 1-2 BP 92 EP 101 DI 10.1016/j.msea.2006.01.002 PG 10 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 048LE UT WOS:000237947800010 ER PT J AU Bishop, CM Tang, M Cannon, RM Carter, WC AF Bishop, Catherine M. Tang, Ming Cannon, Rowland M. Carter, W. Craig TI Continuum modelling and representations of interfaces and their transitions in materials SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Review DE phase-field model; grain boundary wetting; thermodynamics; ceramics; interface structure ID SILICON-NITRIDE CERAMICS; PHASE-FIELD MODEL; GRAIN-BOUNDARY SEGREGATION; INTERGRANULAR FILM THICKNESS; LATTICE-GAS MODEL; EQUILIBRIUM-THICKNESS; MOLECULAR-DYNAMICS; AMORPHOUS FILMS; BI2O3-DOPED ZNO; BI SEGREGATION AB Evidence for internal and external interface transitions in ceramics and metals is copious. The work described here lays out a framework for predicting interface transitions and including them on bulk phase diagrams. Advances in understanding possible grain boundary transitions in single- and binary-component materials have been made with energetics modelled with the phase-field model due to Kobayashi, Warren and Carter. Analyses inspired by Cahn's critical point wetting work allowed the exploration of the stable, metastable, and unstable grain boundary compositions and structures. A general phase-field model has also been developed that allows the couplings between chemistry, structure, and electrostatics to be explored. This model has been applied to grain boundaries in silicon nitride and indicates that intergranular films can be stabilized below the eutectic temperature. Predictive information from the models presented here could be used to inform material processing routes in order to design for interface structures and so bulk properties. (c) 2006 Elsevier B.V. All rights reserved. C1 Univ Oxford, Dept Mat, Oxford OX1 3PH, England. MIT, Dept Mat Sci & Engn, Cambridge, MA 02193 USA. Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Bishop, CM (reprint author), Univ Oxford, Dept Mat, Parks Rd, Oxford OX1 3PH, England. EM catherine.bishop@materials.ox.ac.uk RI Carter, W/K-2406-2012; OI Bishop, Catherine/0000-0002-0001-7115 NR 113 TC 24 Z9 26 U1 2 U2 17 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD APR 25 PY 2006 VL 422 IS 1-2 BP 102 EP 114 DI 10.1016/j.msea.2006.01.013 PG 13 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 048LE UT WOS:000237947800011 ER PT J AU Breault, RW AF Breault, RW TI A review of gas-solid dispersion and mass transfer coefficient correlations in circulating fluidized beds SO POWDER TECHNOLOGY LA English DT Article; Proceedings Paper CT Annual Meeting of the American-Institute-of-Chemical-Engineers CY NOV, 2004 CL Austin, TX SP Amer Inst Chem Engineers DE gas-solid dispersion coefficient; mass transfer coefficient; circulating fluidized bed ID PARTICLES; DENSITY; REACTOR; UPFLOW; REGION; RISER AB It is increasingly more important to be able to predict the conversion and yield of reactant species given the ever rising cost of the reactants and the ever decreasing acceptable level of effluent contaminants. As such, the development and use of predictive models for the reactors is necessary for most processes today. These models all take into account in some manner the relative movement of the gas and of the solid species as well as the interphase mass transfer. The model developer, unless equipped with specific experimentally based empirical correlations for the reactor system under consideration, is required to go to the open literature to obtain correlations for the axial and radial gas dispersion coefficients, the solids axial and radial dispersion coefficients and the interphase mass transfer coefficient between the solid phase and the gas phase. This is a difficult task at present since these values differ by up to 7 orders of magnitude for the mass transfer coefficient and up to 5 orders of magnitude for dispersion coefficients. This paper presents a summary of the work in these areas as found in the literature dating back to 1949 and provides a critical review to guide the selection of the best correlation (s) in circulating fluidized bed reactors. The driver for this paper is the uncertainties due to hydrodynamics that effect conversion in CFBs and as such only reviews the mass transfer coefficient and the gas and solids dispersion coefficients. A comparison of heat transfer coefficients is therefore not included. (C) 2006 Elsevier B.V. All rights reserved. C1 US DOE, Natl Energy Technol Ctr, Morgantown, WV 26507 USA. RP Breault, RW (reprint author), US DOE, Natl Energy Technol Ctr, 3610 Collins Ferry Rd, Morgantown, WV 26507 USA. EM Ronald.Breault@NETL.DOE.GOV OI Breault, Ronald/0000-0002-5552-4050 NR 44 TC 57 Z9 59 U1 2 U2 34 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0032-5910 J9 POWDER TECHNOL JI Powder Technol. PD APR 25 PY 2006 VL 163 IS 1-2 BP 9 EP 17 DI 10.1016/j.powtec.2006.01.009 PG 9 WC Engineering, Chemical SC Engineering GA 049LM UT WOS:000238017800003 ER PT J AU Huang, Y Turton, R Park, J Famouri, P Boyle, EJ AF Huang, Y Turton, R Park, J Famouri, P Boyle, EJ TI Dynamic model of the riser in circulating fluidized bed SO POWDER TECHNOLOGY LA English DT Article; Proceedings Paper CT Annual Meeting of the American-Institute-of-Chemical-Engineers CY NOV, 2004 CL Austin, TX SP Amer Inst Chem Engineers DE circulating fluidized bed; dynamic model; pressure drop; cluster ID NEAR-WALL REGION; GAS-SOLID FLOW; PARTICLE MOTION; VELOCITY; VOIDAGE; PROFILES; PRESSURE AB Optimization and control of CFB is very important and requires an accurate, real time, dynamic model to describe and quantify the process. The present work focuses on modeling the transient behavior of large CFB units, whose flow characteristics were shown to yield C-shaped voidage profiles using cork as the fluidizing material and air at ambient conditions. The riser is modeled in two ways: 1) as a set of well-mixed tanks connected in series; 2) as a 1-D axisymetric cluster flow. The tanks-in-series model visualizes the riser as consisting of a series of well-mixed vessels. When the gas flow rate is constant and solids flow rate changes as a sine wave function, the voidages along the riser indicate a family of sine waves with significant phase shifts. Using this method, the dynamic response time at different locations along the riser was estimated successfully. The cluster flow model assumes that gas and solids flows are unidirectional with no mixing in the axial direction, and the solids move upward in the riser as clusters. This model can be used to predict the smooth changes in voidage profiles for transient processes. (C) 2006 Elsevier B.V. All rights reserved. C1 W Virginia Univ, Dept Chem Engn, Morgantown, WV 26506 USA. W Virginia Univ, Lane Dept Comp Sci & Elect Engn, Morgantown, WV 26506 USA. Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Turton, R (reprint author), W Virginia Univ, Dept Chem Engn, Morgantown, WV 26506 USA. EM Richard.Turton@mail.wvu.edu NR 33 TC 10 Z9 11 U1 0 U2 2 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0032-5910 J9 POWDER TECHNOL JI Powder Technol. PD APR 25 PY 2006 VL 163 IS 1-2 BP 23 EP 31 DI 10.1016/j.powtec.2006.01.003 PG 9 WC Engineering, Chemical SC Engineering GA 049LM UT WOS:000238017800005 ER PT J AU Hafeman, DG Harkins, JB Witkowski, CE Lewis, NS Warmack, RJ Brown, GM Thundat, T AF Hafeman, DG Harkins, JB Witkowski, CE Lewis, NS Warmack, RJ Brown, GM Thundat, T TI Optically directed molecular transport and 3D isoelectric positioning of amphoteric biomolecules SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE electrophoresis; light; mass spectrometry; protein transport; proteomics ID MANIPULATION; MICROPARTICLES; WATER AB We demonstrate the formation of charged molecular packets and their transport within optically created electrical force-field traps in a pH-buffered electrolyte. We call this process photoelectrophoretic localization and transport (PELT). The electrolyte is in contact with a photoconductive semiconductor electrode and a counterelectrode that are connected through an external circuit. A light beam directed to coordinates on the photoconductive electrode surface produces a photocurrent within the circuit and electrolyte. Within the electrolyte, the photocurrent creates localized force-field traps centered at the illuminated coordinates. Charged molecules, including polypeptides and proteins, electrophoretically accumulate into the traps and subsequently can be transported in the electrolyte by moving the traps over the photoconductive electrode in response to movement of the light beam. The molecules in a single trap can be divided into aliquots, and the aliquots can be directed along multiple routes simultaneously by using multiple light beams. This photoelectrophoretic transport of charged molecules by PELT resembles the electrostatic transport of electrons within force-field wells of solid-state charge-coupled devices. The molecules, however, travel in a liquid electrolyte rather than a solid. Furthermore, we have used PELT to position amphoteric biomolecules in three dimensions. A 3D pH gradient was created in an electrolyte medium by controlling the illumination position on a photoconductive anode where protons were generated electrolytically. Photoelectrophoretic transport of amphoteric molecules through the pH gradient resulted in accumulation of the molecules at their apparent 3D isoelectric coordinates in the medium. C1 Prot Discovery Inc, Knoxville, TN 37902 USA. CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Hafeman, DG (reprint author), Prot Discovery Inc, 418 S Gay St, Knoxville, TN 37902 USA. EM dean@proteindiscovery.com FU NIDA NIH HHS [N43DA-3-7735] NR 17 TC 7 Z9 7 U1 0 U2 0 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD APR 25 PY 2006 VL 103 IS 17 BP 6436 EP 6441 DI 10.1073/pnas.0509881103 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 037MM UT WOS:000237151000006 PM 16618926 ER PT J AU Apetrei, C Becker, J Metzger, M Gautam, R Engle, J Wales, AK Eyong, M Enyong, P Sama, M Foley, BT Drucker, E Marx, PA AF Apetrei, Cristian Becker, Joseph Metzger, Michael Gautam, Rajeev Engle, John Wales, Anne Katherine Eyong, M. Enyong, Peter Sama, Martyn Foley, Brian T. Drucker, Ernest Marx, Preston A. TI Potential for HIV transmission through unsafe injections SO AIDS LA English DT Article ID HUMAN-IMMUNODEFICIENCY-VIRUS; UNSTERILE INJECTIONS; CENTRAL-AFRICA; SUBTYPE-G; TYPE-1; SEQUENCES; ENV; EMERGENCE AB We tested for HIV in discarded needles and syringe washes from 191 HIV-infected patients receiving injections in rural Cameroon. HIV-1 RNA was amplified from 34 of 103 intravenous injection syringes and two of 88 intramuscular injection syringes. All 36 strains were HIV-1 group M. The majority belonged to the circulating recombinant form CRF02 (IbNg). Our data support a role for unsafe injections in the spread of HIV-1 in Africa, in contrast to recent studies. C1 Tulane Natl Primate Res Ctr, Covington, LA 70433 USA. Tulane Univ, Sch Publ Hlth & Trop Med, Dept Trop Med, New Orleans, LA 70112 USA. Los Alamos Natl Lab, Theoret Biol & Biophys Grp T10, Los Alamos, NM 87545 USA. Med Res Stn, Kumba, Cameroon. Albert Einstein Coll Med, Bronx, NY 10467 USA. RP Apetrei, C (reprint author), Tulane Natl Primate Res Ctr, Covington, LA 70433 USA. RI Metzger, Michael/E-2242-2014; OI Metzger, Michael/0000-0001-7855-1388; Foley, Brian/0000-0002-1086-0296 FU NIAID NIH HHS [R01 AI 44596] NR 18 TC 17 Z9 17 U1 0 U2 2 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0269-9370 J9 AIDS JI Aids PD APR 24 PY 2006 VL 20 IS 7 BP 1074 EP 1076 DI 10.1097/01.aids.0000222085.21540.8a PG 3 WC Immunology; Infectious Diseases; Virology SC Immunology; Infectious Diseases; Virology GA 043BV UT WOS:000237575200020 PM 16603865 ER PT J AU Campbell, IH Crone, BK AF Campbell, IH Crone, BK TI Improving carrier injection in organic diodes by incorporating charge trapping molecules SO APPLIED PHYSICS LETTERS LA English DT Article ID LIGHT-EMITTING-DIODES; HOLE INJECTION; FULLERENES; EFFICIENCY AB We demonstrate improved charge injection in organic diodes by incorporating charge trapping molecules near the injecting electrode that dynamically alter the effective Schottky energy barrier to carrier injection between a metal electrode and the organic electronic material. Hole injection from Al and Cu anodes into the electroluminescent polymer poly[2-methoxy,5-(2'-ethyl-hexyloxy)-1,4-phenylene vinylene] was improved by incorporating C-60 molecules into the polymer near the anode. In operation, electrons injected from the cathode are trapped by the C-60 molecules, creating an induced dipole near the anode. We demonstrate these effects by measuring changes in diode current-voltage characteristics and built-in potentials. (c) 2006 American Institute of Physics. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM campbell@lanl.gov NR 15 TC 10 Z9 10 U1 1 U2 10 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 24 PY 2006 VL 88 IS 17 AR 172113 DI 10.1063/1.2193056 PG 3 WC Physics, Applied SC Physics GA 037HB UT WOS:000237136600043 ER PT J AU Kaplan, A Sajwani, A Li, ZY Palmer, RE Wilcoxon, JP AF Kaplan, A Sajwani, A Li, ZY Palmer, RE Wilcoxon, JP TI Efficient vacuum ultraviolet light frequency downconversion by thin films of CdSe quantum dots SO APPLIED PHYSICS LETTERS LA English DT Article ID SEMICONDUCTOR NANOCRYSTALS; ENERGY-TRANSFER; ELECTRON; IONIZATION; STATE AB Frequency downconversion is an effective method for the detection of ionizing radiation. We demonstrate the utilization of thin films of chemically synthesized CdSe quantum dots for this purpose. A high quantum yield of similar to 0.2 is obtained at room temperature, which does not depend on the excitation wavelength in the range from 32 to 114 nm. The measured decay time is short, in the nanosecond regime, and the visible light output is stable. A significant advantage of such semiconductor quantum dots is the potential to tune the emission wavelength via selection of the nanoparticle size. (c) 2006 American Institute of Physics. C1 Univ Birmingham, Sch Phys & Astron, Nanoscale Phys Res Lab, Birmingham B15 2TT, W Midlands, England. Sandia Natl Labs, Dept 1122, Albuquerque, NM 87185 USA. RP Kaplan, A (reprint author), Univ Birmingham, Sch Phys & Astron, Nanoscale Phys Res Lab, Birmingham B15 2TT, W Midlands, England. EM andrey@nprl.ph.bham.ac.uk RI Palmer, Richard/A-5366-2008; Kaplan, Andrey/D-8804-2011 OI Palmer, Richard/0000-0001-8728-8083; Kaplan, Andrey/0000-0001-6591-0804 NR 19 TC 8 Z9 8 U1 1 U2 6 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 24 PY 2006 VL 88 IS 17 AR 171105 DI 10.1063/1.2195697 PG 3 WC Physics, Applied SC Physics GA 037HB UT WOS:000237136600005 ER PT J AU Sheng, HW Ma, E Liu, HZ Wen, J AF Sheng, HW Ma, E Liu, HZ Wen, J TI Pressure tunes atomic packing in metallic glass SO APPLIED PHYSICS LETTERS LA English DT Article ID AUGMENTED-WAVE METHOD; X-RAY-DIFFRACTION; STRUCTURAL RELAXATION; SIMPLE LIQUIDS; RANGE ORDER; BULK AB By employing the state-of-the-art in situ high-pressure synchrotron x-ray measurements and ab initio modeling, we have resolved atomic-level packing details in a metallic glass as a function of pressure. We demonstrate pronounced changes in atomic size ratio (and correspondingly coordination number) with increasing pressure and the accompanying conversion of prism-type coordination to icosahedral short-range order. (c) 2006 American Institute of Physics. C1 Johns Hopkins Univ, Dept Mat Sci & Engn, Baltimore, MD 21218 USA. Argonne Natl Lab, HPCAT, Adv Photon Source, Argonne, IL 60439 USA. Chinese Acad Sci, SYNL, Met Res Inst, Shenyang 110016, Peoples R China. RP Sheng, HW (reprint author), Johns Hopkins Univ, Dept Mat Sci & Engn, Baltimore, MD 21218 USA. EM hwsheng@jhu.edu RI Ma, En/A-3232-2010; Liu, Haozhe/E-6169-2011; Sheng, Howard/B-2033-2013 NR 33 TC 20 Z9 20 U1 1 U2 16 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 24 PY 2006 VL 88 IS 17 AR 171906 DI 10.1063/1.2197315 PG 3 WC Physics, Applied SC Physics GA 037HB UT WOS:000237136600021 ER PT J AU Vlasko-Vlasov, V Rydh, A Pearson, J Welp, U AF Vlasko-Vlasov, V Rydh, A Pearson, J Welp, U TI Spectroscopy of surface plasmons in metal films with nanostructures SO APPLIED PHYSICS LETTERS LA English DT Article ID FINITE-WIDTH; POLARITONS; MODES; THIN; OPTICS AB The direct measurement of local surface plasmon polariton spectra in micron-sized areas of metal films is implemented through the near-field imaging of two-dimensional plasmon interference patterns. The plasmons are generated at circular nanoslits. The period of their interference yields the plasmon wave vector, and imaging at different excitation wavelengths yields the plasmon dispersion. The dielectric function of the film, retrieved by fitting the measured dispersion curve, differs from published values, underlining the necessity for the in situ determination of the dielectric function of metal films intended for plasmonic circuits, which can be achieved within a few micron areas using our technique. (c) 2006 American Institute of Physics. C1 Argonne Natl Lab, Argonne, IL 60439 USA. Stockholm Univ, Dept Phys, SE-10691 Stockholm, Sweden. RP Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM vlasko-vlasov@anl.gov RI Rydh, Andreas/A-7068-2012 OI Rydh, Andreas/0000-0001-6641-4861 NR 28 TC 4 Z9 4 U1 1 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 24 PY 2006 VL 88 IS 17 AR 173112 DI 10.1063/1.2199460 PG 3 WC Physics, Applied SC Physics GA 037HB UT WOS:000237136600073 ER PT J AU Xiong, G Joly, AG Beck, KM Hess, WP Cai, MD Langford, SC Dickinson, JT AF Xiong, G Joly, AG Beck, KM Hess, WP Cai, MD Langford, SC Dickinson, JT TI Publisher's Note: In situ photoelectron emission microscopy of a thermally induced martensitic transformation in a CuZnAl shape memory alloy [Appl. Phys. Lett. 88, 091910 (2006)] (vol 88, pg 091910, 2006) SO APPLIED PHYSICS LETTERS LA English DT Correction C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Washington State Univ, Dept Phys & Astron, Pullman, WA 99164 USA. RP Dickinson, JT (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM jtd@wsu.edu NR 1 TC 0 Z9 0 U1 1 U2 2 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 24 PY 2006 VL 88 IS 17 AR 179902 DI 10.1063/1.2202239 PG 1 WC Physics, Applied SC Physics GA 037HB UT WOS:000237136600104 ER PT J AU Xu, WZ Ye, ZZ Zeng, YJ Zhu, LP Zhao, BH Jiang, L Lu, JG He, HP Zhang, SB AF Xu, WZ Ye, ZZ Zeng, YJ Zhu, LP Zhao, BH Jiang, L Lu, JG He, HP Zhang, SB TI ZnO light-emitting diode grown by plasma-assisted metal organic chemical vapor deposition SO APPLIED PHYSICS LETTERS LA English DT Article ID P-TYPE ZNO; THIN-FILMS; PHOTOLUMINESCENCE; FABRICATION; EPITAXY; BEAM; NO AB We report a breakthrough in fabricating ZnO homojunction light-emitting diode by metal organic chemical vapor deposition. Using NO plasma, we are able to grow p-type ZnO thin films on n-type bulk ZnO substrates. The as-grown films on glass substrates show hole concentration of 10(16) - 10(17) cm(-3) and mobility of 1-10 cm(2) V-1 s(-1). Room-temperature photoluminescence spectra reveal nitrogen-related emissions. A typical ZnO homojunction shows rectifying behavior with a turn-on voltage of about 2.3 V. Electroluminescence at room temperature has been demonstrated with band-to-band emission at I=40 mA and defect-related emissions in the blue-yellow spectrum range. (c) 2006 American Institute of Physics. C1 Zhejiang Univ, State Key Lab Silicon Mat, Hangzhou 310027, Peoples R China. Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Ye, ZZ (reprint author), Zhejiang Univ, State Key Lab Silicon Mat, Hangzhou 310027, Peoples R China. EM yezz@zju.edu.cn RI Krausnick, Jennifer/D-6291-2013; Zhang, Shengbai/D-4885-2013; Zeng, Yujia/F-5221-2016; OI Zhang, Shengbai/0000-0003-0833-5860; He, Haiping/0000-0001-8246-0286 NR 24 TC 209 Z9 221 U1 7 U2 64 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 24 PY 2006 VL 88 IS 17 AR 173506 DI 10.1063/1.2199588 PG 3 WC Physics, Applied SC Physics GA 037HB UT WOS:000237136600088 ER PT J AU Zhang, X Wang, H Chen, XH Lu, L Lu, K Hoagland, RG Misra, A AF Zhang, X Wang, H Chen, XH Lu, L Lu, K Hoagland, RG Misra, A TI High-strength sputter-deposited Cu foils with preferred orientation of nanoscale growth twins SO APPLIED PHYSICS LETTERS LA English DT Article ID NANOCRYSTALLINE COPPER; DUCTILITY; METALS; SIZE AB Bulk Cu foils have been synthesized via magnetron sputtering with an average twin spacing of 5 nm. Twin interfaces are of {111} type and normal to the growth direction. Growth twins with such high twin density and preferred orientation have never been observed in elemental metals. These Cu foils exhibited tensile strengths of 1.2 GPa, a factor of 3 higher than that reported earlier for nanocrystalline Cu, average uniform elongation of 1%-2%, and ductile dimple fracture surfaces. This work provides a route for the synthesis of ultrahigh-strength, ductile pure metals via control of twin spacing and twin orientation in vapor-deposited materials. (c) 2006 American Institute of Physics. C1 Texas A&M Univ, Dept Engn Mech, College Stn, TX 77843 USA. Texas A&M Univ, Dept Elect Engn, College Stn, TX 77843 USA. Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China. Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. RP Zhang, X (reprint author), Texas A&M Univ, Dept Engn Mech, College Stn, TX 77843 USA. EM zhangx@tamu.edu RI Lu, Lei/E-3864-2012; Hoagland, Richard/G-9821-2012; Misra, Amit/H-1087-2012; Wang, Haiyan/P-3550-2014 OI Wang, Haiyan/0000-0002-7397-1209 NR 20 TC 119 Z9 119 U1 4 U2 64 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 24 PY 2006 VL 88 IS 17 AR 173116 DI 10.1063/1.2198482 PG 3 WC Physics, Applied SC Physics GA 037HB UT WOS:000237136600077 ER PT J AU Moses, AW Ramsahye, NA Raab, C Leifeste, HD Chattopadhyay, S Chmelka, BF Eckert, J Scottt, SL AF Moses, AW Ramsahye, NA Raab, C Leifeste, HD Chattopadhyay, S Chmelka, BF Eckert, J Scottt, SL TI Methyltrioxorhenium interactions with Lewis acid sites of an amorphous silica-alumina SO ORGANOMETALLICS LA English DT Article ID MAIN-GROUP ELEMENTS; X-RAY-ABSORPTION; NUCLEAR-MAGNETIC-RESONANCE; AB-INITIO CALCULATIONS; ALK-EDGE XANES; TRANSITION-METALS; MULTIPLE BONDS; OLEFIN METATHESIS; ORGANOMETALLIC CHEMISTRY; CONDENSATION-REACTIONS AB Deposition of CH3ReO3 onto the dehydrated surface of an amorphous silica-alumina (Si/Al = 4.8) generates a catalyst for olefin metathesis, although CH3ReO3 itself is not active. The nature of the interactions between the silica-alumina surface and the grafted organometallic complex was probed by 1D and 2D H-1, C-13, and Al-21 solid-state NMR, IR, EXAFS, and DFT calculations. The methyl ligand remains bound to Re, but grafting alters its symmetry, as well as the shielding of the C-13 and H-1 nuclei. Chemisorption of the intact molecular complex occurs via interaction of one oxo ligand with an Al site, resulting in significant elongation of this Re=O bond. Comparison of EXAFS- and DFT-derived bond distances suggests that the participating Lewis acid sites of silica-alumina involve five-coordinate Al. A second surface-organometallic interaction arises by coordination of an adjacent bridging oxygen atom (AlOSi) to the Re center. These insights represent a first step toward understanding the role of solid oxide supports in conferring metathesis activity to CH3ReO3 and related heterogeneous catalysts. C1 Univ Calif Santa Barbara, Dept Chem Engn, Santa Barbara, CA 93106 USA. Univ Calif Santa Barbara, Dept Chem, Santa Barbara, CA 93106 USA. Univ Calif Santa Barbara, Mat Res Lab, Santa Barbara, CA 93106 USA. Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, Los Alamos, NM 87545 USA. RP Chmelka, BF (reprint author), Univ Calif Santa Barbara, Dept Chem Engn, Santa Barbara, CA 93106 USA. EM bradc@engineering.ucsb.edu; juergen@mrl.ucsb.edu; sscott@engineering.ucsb.edu NR 65 TC 29 Z9 30 U1 2 U2 20 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0276-7333 J9 ORGANOMETALLICS JI Organometallics PD APR 24 PY 2006 VL 25 IS 9 BP 2157 EP 2165 DI 10.1021/om050962k PG 9 WC Chemistry, Inorganic & Nuclear; Chemistry, Organic SC Chemistry GA 035AZ UT WOS:000236973500009 ER PT J AU Zhang, J Huang, KW Szalda, DJ Bullock, RM AF Zhang, J Huang, KW Szalda, DJ Bullock, RM TI Efficient synthesis of the Os-Os dimers [CP(CO)(2)Os](2), [CP*(CO)(2)Os](2), and [((Pr4C5H)-Pr-i)(CO)(2)Os](2) and computational studies on the relative stabilities of their geometrical isomers SO ORGANOMETALLICS LA English DT Article ID EFFECTIVE CORE POTENTIALS; ALKALINE-EARTH METALLOCENES; TRANSITION-METAL HYDRIDES; MOLECULAR-ORBITAL METHODS; HYDROGEN-ATOM TRANSFER; GAUSSIAN-TYPE BASIS; IRON FE-FE; CRYSTAL-STRUCTURE; ORDINATION COMPLEXES; ORGANIC-MOLECULES AB The Os-Os dimer [Cp(CO)(2)Os](2) was synthesized in good yield by reaction Of Cp(CO)(2)OsI with NaK. The related Cp* dimer [Cp*(CO)(2)Os](2) (Cp* = eta(5)-C5Me5) was prepared by reaction Of Cp*(CO)(2)OsH with 2,2'-azobis(isobutyryinitrile) (AIBN). In contrast to [Cp(CO)(2)Os](2), which has only terminal CO ligands, spectroscopic and crystallographic data indicate that [Cp*(CO)(2)Os](2) has two bridging CO ligands. Reaction of tetraisopropylcyclopentadiene with [(CO)(3)OsI](2) provides ((Pr4C5H)-Pr-i)(CO)(2)OsI, which can be converted to ((Pr4C5H)-Pr-i)(CO)(2)OsH through reduction with NaK followed by treatment with EtOH. Reaction of ((Pr4C5H)-Pr-i)(CO)(2)OsH with AIBN gives [((Pr4C5H)-Pr-i)(CO)Os-2](2), which is much more soluble than [Cp*(CO)Os-2](2). DFT (B3LYP) calculations on these Os-Os dimers reveal the energetics of different geometrical isomers. The anti and gauche isomers Of [Cp(CO)(2)Os](2), with ten significantly more stable than the trans and cis isomers with bridging CO ligands, while the stability of the anti isomer Of [Cp*(CO)Os-2](2) is similar to that of its trans isomer. Computations on the energetics of the isomers with a [C-5(CF3)(5)] ligand suggest that the difference observed for Cp and Cp* complexes is mainly due to electronic rather than steric effects of the Cp groups. C1 Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. Baruch Coll, Dept Nat Sci, New York, NY 10010 USA. RP Bullock, RM (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM bullock@bnl.gov RI Huang, Kuo-Wei/H-2303-2011; Bullock, R. Morris/L-6802-2016 OI Huang, Kuo-Wei/0000-0003-1900-2658; Bullock, R. Morris/0000-0001-6306-4851 NR 47 TC 8 Z9 8 U1 0 U2 3 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0276-7333 J9 ORGANOMETALLICS JI Organometallics PD APR 24 PY 2006 VL 25 IS 9 BP 2209 EP 2215 DI 10.1021/om060075x PG 7 WC Chemistry, Inorganic & Nuclear; Chemistry, Organic SC Chemistry GA 035AZ UT WOS:000236973500015 ER PT J AU Clauer, CR Cai, X Welling, D DeJong, A Henderson, MG AF Clauer, CR Cai, X Welling, D DeJong, A Henderson, MG TI Characterizing the 18 April 2002 storm-time sawtooth events using ground magnetic data SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID MAGNETOSPHERIC SUBSTORMS; FIELD; VARIABILITY; PARAMETERS; CONVECTION; FEATURES; DRIVEN; SYSTEM AB Beginning during the last half of the main phase and extending for over 12 hours, the 18 April 2002 magnetic storm is dominated by sawtooth oscillations. We examine the ground magnetic signatures of these events at both high latitudes and low latitudes. The first immediate observation is that the magnetic signatures from one sawtooth to another can show considerable variation. Thus the current systems associated with these events show considerable variation in location, pattern, and strength from one oscillation to the next. The characteristics of the magnetic disturbance for each sawtooth has little to distinguish it from the typical substorm expansion magnetic disturbance field except that some of the sawteeth disturbance profiles are broader in local time than observed during typical substorms. The injection region determined from the energetic particle flux measurements at geostationary orbit is generally broad, extending across the entire tail and past the terminators into the dayside. The injection region is usually wider than the magnetic disturbance profile at the peak of the dipolarization. There appears to be no relationship between the magnetic disturbance profile and the location and strength of the injection boundary. Finally, sawtooth events appear to be driven by a steady solar wind driver and to develop during a period of already enhanced ring current. C1 Univ Michigan, Space Phys Res Lab, Ann Arbor, MI 48109 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Clauer, CR (reprint author), Univ Michigan, Space Phys Res Lab, 2455 Hayward, Ann Arbor, MI 48109 USA. EM bob.clauer@umich.edu RI Welling, Daniel/C-1970-2013; Henderson, Michael/A-3948-2011 OI Henderson, Michael/0000-0003-4975-9029 NR 19 TC 37 Z9 37 U1 0 U2 3 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-9380 EI 2169-9402 J9 J GEOPHYS RES-SPACE JI J. Geophys. Res-Space Phys. PD APR 22 PY 2006 VL 111 IS A4 AR A04S90 DI 10.1029/2005JA011099 PG 13 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 039NA UT WOS:000237311500002 ER PT J AU Yamauchi, M Iyemori, T Frey, H Henderson, M AF Yamauchi, M Iyemori, T Frey, H Henderson, M TI Unusually quick development of a 4000 nT substorm during the initial 10 min of the 29 October 2003 magnetic storm SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID SOLAR-WIND; PRESSURE PULSE; AURORAL SUBSTORM; ELECTRIC-FIELDS; PLASMA SHEET; B-Y; CURRENTS; ONSET; PRECIPITATION; RECONNECTION AB Global geomagnetic field data, IMAGE FUV data, and many other in situ observations are presented for the initial 10 min of the magnetic storm starting 29 October 2003 at around 0610 UT. Within 1 min after sudden commencement (SC), two independent strong westward ionospheric electrojets (>2000 nT) at the inner magnetospheric region started simultaneously, one in the evening-midnight sector and the other in the morning sector. Both activities expanded and accompanied auroral expansion. The locations (inner magnetosphere), morphologies (expansion), and intensities (>2000 nT) of both activities fall into substorm expansive phases. Having such simultaneous independent 2000 nT level expansions makes this event unique. The interplanetary magnetic field condition before the SC was not favorable in causing an AL<-2000 nT activity. A timing analysis indicates that these strong westward electrojets were most likely triggered by the interplanetary shock, with the triggering location not farther than the geosynchronous distance. They are also probably maintained by the direct energy pumping from the solar wind because cross-tail current derived from the closely located GOES-10 and Polar did not decrease very much during this period. A local but even stronger geomagnetic (nearly 4000 nT) and auroral activity started only 6 min after the start of SC at postmidnight where and when the above two expanding activities met each other, although the relation between the onset of 4000 nT activity and the preceding expansions is not clear. The suddenness of this third activity (3000 nT change within 2 min) is another unique feature. C1 Swedish Inst Space Phys, SE-98128 Kiruna, Sweden. Kyoto Univ, Data Anal Ctr Geomagnetism & Space Magnetism C2, Kyoto 6068502, Japan. Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Yamauchi, M (reprint author), Swedish Inst Space Phys, Box 812, SE-98128 Kiruna, Sweden. EM m.yamauchi@irf.se; iyemori@kugi.kyoto-u.ac.jp; hfrey@ssl.berkeley.edu; mghenderson@lanl.gov RI Henderson, Michael/A-3948-2011; OI Henderson, Michael/0000-0003-4975-9029; Frey, Harald/0000-0001-8955-3282 NR 41 TC 5 Z9 5 U1 0 U2 1 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0148-0227 J9 J GEOPHYS RES-SPACE JI J. Geophys. Res-Space Phys. PD APR 22 PY 2006 VL 111 IS A4 AR A04217 DI 10.1029/2005JA011285 PG 17 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 039NA UT WOS:000237311500003 ER PT J AU Xiao, HY Zu, XT Zhang, YF Gao, F AF Xiao, HY Zu, XT Zhang, YF Gao, F TI Atomic and electronic structures of rubidium adsorption on Si(001)(2 x 1) surface: Comparison with Cs/Si(001) surface SO CHEMICAL PHYSICS LA English DT Article DE first-principles calculations; rubidium; adsorption; silicon ID ADSORBED SI(100) SURFACES; ANGLE-RESOLVED PHOTOEMISSION; POTASSIUM DOUBLE-LAYER; X-RAY-DIFFRACTION; PHOTOELECTRON-SPECTROSCOPY; 2X1-K SURFACE; CS; SI(001)-(2X1); OVERLAYER; CESIUM AB First-principles calculations based on DFT-GGA method have been performed on rubidium adsorption on Si(001)(2 x 1) surface. The atomic and electronic structures of Si(001)(2 x 1)-Rb have been calculated and compared with those of Cs adsorption [H.Y. Xiao, X.T. Zu, Y.F. Zhang, L. Yang, J. Chem. Phys. 122 (2005) 174704]. It turns out that the saturation coverage of Rb is one monolayer rather than half a monolayer, similar to that of Cs adsorption. Comparison of Rb on Si(001)(2 x 1) with Cs adsorption showed that at saturation coverage larger alkali metal (AM) atom leads to stronger AM-AM interaction and weaker AM-Si interaction. However, for low coverage of 0.25 and 0.5 ML the Rb-Si interaction is surprisingly weaker than Cs-Si interaction. Further detailed analysis suggested that this is a consequence of depolarization effect with decreasing AM size below I ML coverage. For the saturation coverage, the dispersion curves show that the surface is of semi-conducting character. This result does not support the direct and inverse angle-resolved photoemission investigation where a metallization is observed at saturation coverage. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China. Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110015, Peoples R China. Fuzhou Univ, Dept Chem, Fuzhou 350002, Peoples R China. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Zu, XT (reprint author), Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China. EM xiaotaozu@yahoo.com RI Xiao, Haiyan/A-1450-2012; Gao, Fei/H-3045-2012 NR 47 TC 3 Z9 3 U1 2 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0301-0104 J9 CHEM PHYS JI Chem. Phys. PD APR 21 PY 2006 VL 323 IS 2-3 BP 383 EP 390 DI 10.1016/j.chemphys.2005.10.003 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 040KT UT WOS:000237378100025 ER PT J AU Chialvo, AA Simonson, JM AF Chialvo, AA Simonson, JM TI Ion association in aqueous LiCl solutions at high concentration: Predicted results via molecular simulation SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID NEUTRON-SCATTERING; LIQUID WATER; DIFFRACTION; SOLVATION; HYDRATION; CHLORIDE; POTENTIALS; DYNAMICS; NICL2; LI+ AB We perform molecular dynamics simulations to study the ionic solvation and association behavior in concentrated aqueous LiCl solutions at ambient conditions, including consideration of expected signatures of ion pairing that might be found in neutron diffraction experiments with isotopic substitution. The ten possible pair radial distribution functions that define the microstructure of the systems are determined and used to assess the first-order difference of the neutron-weighted correlation functions for these solutions in heavy and null water. Then, both sets of correlation functions are applied to the interpretation of the ion's local environment in terms of the location of the relevant peaks and the penetration of ions into the counterion solvation shells as a signature of ion-pair formation. Finally, we illustrate how first-order difference experiments involving null and heavy water might be used to assess the magnitude of the Mv+-Xv- ion-pair formation for a salt Mv+Xnv- in an aqueous solution, provided the significant experimental challenges in these studies could be overcome. C1 Oak Ridge Natl Lab, Div Chem Sci, Aqueous Chem & Geochem Grp, Oak Ridge, TN 37831 USA. RP Chialvo, AA (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Aqueous Chem & Geochem Grp, POB 2008, Oak Ridge, TN 37831 USA. EM chialvoaa@ornl.gov OI Chialvo, Ariel/0000-0002-6091-4563 NR 27 TC 9 Z9 9 U1 1 U2 15 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 21 PY 2006 VL 124 IS 15 AR 154509 DI 10.1063/1.2186641 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 034ZN UT WOS:000236969500034 PM 16674244 ER PT J AU Liu, DJ Evans, JW AF Liu, DJ Evans, JW TI Atomistic lattice-gas modeling of CO oxidation on Pd(100): Temperature-programed spectroscopy and steady-state behavior SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID X ROOT-5)R27-DEGREES-O SURFACE; SCANNING-TUNNELING-MICROSCOPY; SINGLE-CRYSTAL SURFACES; PHASE-TRANSITIONS; CARBON-MONOXIDE; DESORPTION-KINETICS; ADSORPTION; OXYGEN; DIFFUSION; DYNAMICS AB We have developed an atomistic lattice-gas model for the catalytic oxidation of CO on single-crystal Pd(100) surfaces under ultrahigh vacuum conditions. This model necessarily incorporates an detailed description of adlayer ordering and adsorption-desorption kinetics both for CO on Pd(100), and for oxygen on Pd(100). Relevant energetic parameters are determined by comparing model predictions with experiment, together with some guidance from density functional theory calculations. The latter also facilitates description of the interaction and reaction of adsorbed CO and oxygen. Kinetic Monte Carlo simulations of this reaction model are performed to predict temperature-programed reaction spectra, as well as steady-state bifurcation behavior. (c) 2006 American Institute of Physics. C1 Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Math, Ames, IA 50011 USA. RP Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. EM dajiang@fi.ameslab.gov NR 53 TC 36 Z9 36 U1 3 U2 15 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 21 PY 2006 VL 124 IS 15 AR 154705 DI 10.1063/1.2186314 PG 13 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 034ZN UT WOS:000236969500039 PM 16674249 ER PT J AU Zheng, L Luo, SN Thompson, DL AF Zheng, L Luo, SN Thompson, DL TI Molecular dynamics simulations of melting and the glass transition of nitromethane SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID SOLID NITROMETHANE; CRYSTAL NUCLEATION; LIQUID-STATE; PURE THEORY; MODEL; TEMPERATURES; SILICON; PHASES; LINES AB Molecular dynamics simulations have been used to investigate the thermodynamic melting point of the crystalline nitromethane, the melting mechanism of superheated crystalline nitromethane, and the physical properties of crystalline and glassy nitromethane. The maximum superheating and glass transition temperatures of nitromethane are calculated to be 316 and 160 K, respectively, for heating and cooling rates of 8.9x10(9) K/s. Using the hysteresis method [Luo , J. Chem. Phys. 120, 11640 (2004)] and by taking the glass transition temperature as the supercooling temperature, we calculate a value of 251.1 K for the thermodynamic melting point, which is in excellent agreement with the two-phase result [Agrawal , J. Chem. Phys. 119, 9617 (2003)] of 255.5 K and measured value of 244.73 K. In the melting process, the nitromethane molecules begin to rotate about their lattice positions in the crystal, followed by translational freedom of the molecules. A nucleation mechanism for the melting is illustrated by the distribution of the local translational order parameter. The critical values of the Lindemann index for the C and N atoms immediately prior to melting (the Lindemann criterion) are found to be around 0.155 at 1 atm. The intramolecular motions and molecular structure of nitromethane undergo no abrupt changes upon melting, indicating that the intramolecular degrees of freedom have little effect on the melting. The thermal expansion coefficient and bulk modulus are predicted to be about two or three times larger in crystalline nitromethane than in glassy nitromethane. The vibrational density of states is almost identical in both phases. (c) 2006 American Institute of Physics. C1 Univ Missouri, Dept Chem, Columbia, MO 65211 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Zheng, L (reprint author), Univ Missouri, Dept Chem, Columbia, MO 65211 USA. EM thompsondon@missouri.edu RI Zheng, Lianqing/B-4171-2008; Luo, Sheng-Nian /D-2257-2010 OI Luo, Sheng-Nian /0000-0002-7538-0541 NR 54 TC 38 Z9 38 U1 1 U2 11 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 21 PY 2006 VL 124 IS 15 AR 154504 DI 10.1063/1.2174002 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 034ZN UT WOS:000236969500029 PM 16674239 ER PT J AU de Koning, CA Gosling, JT Skoug, RM Steinberg, JT AF de Koning, CA Gosling, JT Skoug, RM Steinberg, JT TI Widths of suprathermal pitch angle distributions during solar electron bursts: ACE observations SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID DISSIPATION RANGE; PROPAGATION; DYNAMICS; EVENTS; ENERGY; WAVES AB [1] Solar active processes frequently produce electron bursts which, as observed at 1 AU, extend down to energies less than 1.4 keV. The characteristics of these solar electron bursts vary considerably from event to event due in part to the physical processes involved in their propagation to Earth. We present a thorough survey of 71 low-energy solar electron bursts that extended down to least 713 eV as observed by ACE/SWEPAM in 2002. This study characterizes properties of these bursts, including the preburst and maximum burst intensity, and the burst duration, as well as properties of the solar electron pitch angle distributions, including preburst strahl width and maximum burst beam width. Approximately 60% of bursts observed down to at least 713 eV have, on average, broader beams than the preceding strahl. Our analysis shows that all bursts in this survey have similar preburst strahl widths and electron intensities. Consequently, we conclude that beam broadening does not depend on preburst conditions. Furthermore, we find preferential associations between bursts that exhibit increased beam widths and several burst characteristics, namely, ( 1) high-intensity bursts, ( 2) bursts observable below 519 eV, and ( 3) long-duration bursts. Broadening of the pitch angle distribution function during solar electron bursts almost certainly results from particle scattering. Since the broadening of the pitch angle distribution function during bursts does not depend on preburst conditions and it does depend on burst characteristics, we suggest that scattering may result from self-generated fluctuations which should increase in magnitude as the energy density of the burst beam increases. Finally, we describe two sources of wave-particle interactions that offer plausible explanations for broadening of the electron pitch angle distribution during solar bursts. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Colorado, Atmospher & Space Phys Lab, Boulder, CO 80303 USA. RP de Koning, CA (reprint author), NOAA, Space Environm Ctr, Mail Code W-NP9,325 Broadway, Boulder, CO 80305 USA. EM curt.a.dekoning@noaa.gov OI Steinberg, John/0000-0003-2491-1661 NR 20 TC 11 Z9 11 U1 0 U2 1 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0148-0227 J9 J GEOPHYS RES-SPACE JI J. Geophys. Res-Space Phys. PD APR 21 PY 2006 VL 111 IS A4 AR A04101 DI 10.1029/2005JA011326 PG 10 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 039MY UT WOS:000237311300001 ER PT J AU Natarajan, K Hicks, A Mans, J Robinson, H Guan, RJ Mariuzza, RA Margulies, DH AF Natarajan, K Hicks, A Mans, J Robinson, H Guan, RJ Mariuzza, RA Margulies, DH TI Crystal structure of the murine cytomegalovirus MHC-I homolog m144 SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE X-ray structure; MHC-Iv; immunoevasin; NK recognition; viral virulence ID NATURAL-KILLER-CELLS; RECEPTOR LY49A; PEPTIDE ANTIGENS; INFECTED CELLS; COMPLEX; MOLECULES; LIGAND; RECOGNITION; GENE; BETA(2)-MICROGLOBULIN AB Large DNA viruses of the herpesvirus family produce proteins that mimic host MHC-I molecules as part of their immunoevasive strategy. The m144 glycoprotein, expressed by murine cytomegalovirus, is thought to be an MHC-I homolog whose expression prolongs viral survival in vivo by preventing natural killer cell activation. To explore the structural basis of this m144 function, we have determined the three-dimensional structure of an m.144/beta 2-microglobulin (beta 2m) complex at 1.9 angstrom resolution. This structure reveals the canonical features of MHC-I molecules including readily identifiable alpha 1, alpha.2, and alpha 3 domains. A unique disulfide bond links the alpha 1 helix to the beta-sheet floor, explaining the known thermal stability of m144. Close juxtaposition of the alpha 1 and alpha 2 helices and the lack of critical residues that normally contribute to anchoring the peptide N and C termini eliminates peptide binding. A region of 13 amino acid residues, corresponding to the amino-terminal portion of the alpha 2 helix, is missing in the electron density map, suggesting an area of structural flexibility that may be involved in ligand binding. Published by Elsevier Ltd. C1 NIAID, Mol Biol Sect, Immunol Lab, NIH, Bethesda, MD 20892 USA. Univ Witwatersrand, ZA-2050 Wits, South Africa. Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. Univ Maryland, Inst Biotechnol, Ctr Adv Res Biotechnol, WM Keck Lab Struct Biol, Rockville, MD 20850 USA. RP Margulies, DH (reprint author), NIAID, Mol Biol Sect, Immunol Lab, NIH, 9000 Rockville Pike, Bethesda, MD 20892 USA. EM dhm@nih.gov RI Margulies, David/H-7089-2013; OI Mans, Janet/0000-0001-6721-1177; Margulies, David/0000-0001-8530-7375 FU Intramural NIH HHS; NIAID NIH HHS [AI 47990, R01 AI047990, R01 AI047990-08] NR 72 TC 27 Z9 27 U1 0 U2 0 PU ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0022-2836 J9 J MOL BIOL JI J. Mol. Biol. PD APR 21 PY 2006 VL 358 IS 1 BP 157 EP 171 DI 10.1016/j.jmb.2006.01.068 PG 15 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 033SX UT WOS:000236870700014 PM 16500675 ER PT J AU Ming, DM Wall, ME AF Ming, DM Wall, ME TI Interactions in native binding sites cause a large change in protein dynamics SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE allosteric regulation; protein dynamics; protein evolution; ligand binding; functional sites ID LIGAND-BINDING; SINGLE-PARAMETER; COMPLEX; DOMAIN; INHIBITOR; MOTIONS; ANALOG; MODEL AB Cellular functions are regulated by molecules that interact with proteins and alter their activities. To enable such control, protein activity, and therefore protein conformational distributions, must be susceptible to alteration by molecular interactions at functional sites. Here we investigate whether interactions at functional sites cause a large change in the protein conformational distribution. We apply a computational method, called dynamics perturbation analysis (DPA), to identify sites at which interactions have a large allosteric potential D-x which is the Kullback-Leibler divergence between protein conformational distributions with and without an interaction. In DPA, a protein is decorated with surface points that interact with neighboring protein atoms, and D-x is calculated for each of the points in a coarse-grained model of protein vibrations. We use DPA to examine hundreds of protein structures from a standard small-molecule docking test set, and find that ligand-binding sites have elevated values of D-x: for 95%) of proteins, the probability of randomly obtaining values as high as those in the binding site is 10(-3) or smaller. We then use DPA to develop a computational method to predict functional sites in proteins, and find that the method accurately predicts ligand-binding-site residues for proteins in the test set. The performance of this method compares favorably with that of a cleft analysis method. The results confirm that interactions at small-molecule binding sites cause a large change in the protein conformational distribution, and motivate using DPA for large-scale prediction of functional sites in proteins. They also suggest that natural selection favors proteins whose activities are capable of being regulated by molecular interactions. C1 Los Alamos Natl Lab, Comp & Computat Sci Div, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. RP Wall, ME (reprint author), Los Alamos Natl Lab, Comp & Computat Sci Div, POB 1663, Los Alamos, NM 87545 USA. EM mewall@lanl.gov OI Alexandrov, Ludmil/0000-0003-3596-4515 NR 30 TC 32 Z9 34 U1 0 U2 12 PU ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0022-2836 J9 J MOL BIOL JI J. Mol. Biol. PD APR 21 PY 2006 VL 358 IS 1 BP 213 EP 223 DI 10.1016/j.jmb.2006.01.097 PG 11 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 033SX UT WOS:000236870700017 PM 16513135 ER PT J AU Harimkar, SP Samant, AN Khangar, AA Dahotre, NB AF Harimkar, SP Samant, AN Khangar, AA Dahotre, NB TI Prediction of solidification microstructures during laser dressing of alumina-based grinding wheel material SO JOURNAL OF PHYSICS D-APPLIED PHYSICS LA English DT Article ID VITRIFIED CBN WHEELS; PERFORMANCE; SURFACE AB Alumina-based grinding wheels are dressed by modifying the surface of the wheels through laser surface melting and solidification with laser powers of 500 W (343 J cm(-2)), 750 W (514 J cm(-2)) and 1000 W (686 J cm(-2)) with an irradiation time of 14.4 ms. The rapid solidification rate associated with laser processing results in significant refinement of the surface grains characterized by well-defined regular facets and vertices. Such microstructures are helpful in finish/micro-scale grinding applications. In order to predict the microstructure from the laser processing parameters and the thermo-physical properties of materials, a one dimensional heat flow model is proposed. The effective thermal conductivity of the porous alumina ceramic, which is incorporated in the heat flow model, is calculated using fractal dimensions from analytical correlations. The proposed thermal model predicts the general trend of increasing melt depth with increasing laser power, which is in reasonable agreement with experimental observations. Also, the cooling rates are derived from the thermal model by calculating the values of the temperature gradient (G) at the solid/liquid interface and the velocity of the solid/liquid interface. The calculated values of the cooling rate decrease with increasing laser power in agreement with the established values in the literature. An attempt is made to correlate the observed secondary dendrite arm spacing with the calculated cooling rates. C1 Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. RP Dahotre, NB (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM ndahotre@utk.edu NR 22 TC 27 Z9 27 U1 0 U2 22 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0022-3727 J9 J PHYS D APPL PHYS JI J. Phys. D-Appl. Phys. PD APR 21 PY 2006 VL 39 IS 8 BP 1642 EP 1649 DI 10.1088/0022-3727/39/8/025 PG 8 WC Physics, Applied SC Physics GA 040GZ UT WOS:000237368300026 ER PT J AU Yang, ZG Xia, GG Singh, P Stevenson, JW AF Yang, ZG Xia, GG Singh, P Stevenson, JW TI Electrical contacts between cathodes and metallic interconnects in solid oxide fuel cells SO JOURNAL OF POWER SOURCES LA English DT Article DE solid oxide fuel cell; interconnect; electrical contact; perovskite ID CHROMIUM VAPORIZATION; ALLOY INTERCONNECTS; DEGRADATION; LAYERS; INTERFACES; ELECTRODE; SOFC AB In this work, simulated cathode/interconnect structures were used to investigate the effects of different contact materials on the contact resistance between a strontium doped lanthanum ferrite cathode and a Crofer22 APU interconnect. Among the materials studied, Pt, which has a prohibitive cost for the application, demonstrated the best performance as a contact paste. For the relatively cost-effective perovskites, the contact ASR was found to depend on their electrical conductivity, scale growth on the metallic interconnect, and interactions between the contact material and the metallic interconnect or particularly the scale grown on the interconnect. Manganites appeared to promote manganese-containing spinel interlayer formation that helped minimize the increase of contact ASR. Chromium from the interconnects reacted with strontium in the perovskites to form SrCrO4. An improved performance was achieved by application of a thermally grown (Mn,Co)(3)O-4 spinel protection layer on Crofer22 APU that dramatically minimized the contact resistance between the cathodes and interconnects. (c) 2005 Elsevier B.V. All rights reserved. C1 Pacific NW Natl Lab, Mat Sci, Richland, WA 99352 USA. RP Yang, ZG (reprint author), Pacific NW Natl Lab, Mat Sci, 902 Battele Blvd,POB 999,K2-44, Richland, WA 99352 USA. EM zgary.yang@pnl.gov RI Singh, Prabhakar/M-3186-2013 NR 33 TC 80 Z9 82 U1 5 U2 29 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD APR 21 PY 2006 VL 155 IS 2 BP 246 EP 252 DI 10.1016/j.jpowsour.2005.05.010 PG 7 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 035LR UT WOS:000237003000019 ER PT J AU Semelsberger, TA Borup, RL AF Semelsberger, TA Borup, RL TI Thermodynamic equilibrium calculations of hydrogen production from the combined processes of dimethyl ether steam reforming and partial oxidation SO JOURNAL OF POWER SOURCES LA English DT Article DE fuel cells; hydrogen; methanol; DME; alternative fuel; reforming ID SELECTIVE CATALYTIC-REDUCTION; LOW-TEMPERATURE OXIDATION; METHANOL-TO-HYDROCARBONS; STATIONARY APPLICATIONS; DIESEL-ENGINES; NOX-REDUCTION; SYNTHESIS GAS; DME SYNTHESIS; NATURAL-GAS; EXHAUST-GAS AB Thermodynamic analyses of producing a hydrogen-rich fuel-cell feed from the combined processes of dimethyl ether (DME) partial oxidation and steam reforming were investigated as a function of oxygen-to-carbon ratio (0.00-2.80), steam-to-carbon ratio (0.00-4.00), temperature (100 degrees C-600 degrees C), pressure (1 -5 atm) and product species. Thermodynamically, dimethyl ether processed with air and steam generates hydrogen-rich fuel-cell feeds; however, the hydrogen concentration is less than that for pure DME steam reforming. Results of the thermodynamic processing of dimethyl ether indicate the complete conversion of dimethyl ether to hydrogen, carbon monoxide and carbon dioxide for temperatures greater than 200 degrees C, oxygen-to-carbon ratios greater than 0.00 and steam-to-carbon ratios greater than 1.25 at atmospheric pressure (P = 1 atm). Increasing the operating pressure has negligible effects on the hydrogen content. Thermodynamically, dimethyl ether can produce concentrations of hydrogen and carbon monoxide of 52% and 2.2%, respectively, at a temperature of 300 degrees C, and oxygen-to-carbon ratio of 0.40, a pressure of 1 atm and a steam-to-carbon ratio of 1.50. The order of thermodynamically stable products (excluding H(2), CO, CO(2), DME, NH(3) and H(2)O) in decreasing mole fraction is methane, ethane, isopropyl alcohol, acetone, n-propanol, ethylene, ethanol and methyl-ethyl ether; trace amounts of formaldehyde, formic acid and methanol are observed. Ammonia and hydrogen cyanide are also thermodynamically favored products. Ammonia is favored at low temperatures in the range of oxygen-to-carbon ratios of 0.40-2.50 regardless of the steam-to-carbon ratio employed. The maximum ammonia content (i.e., 40%) occurs at an oxygen-to-carbon ratio of 0.40, a steam-to-carbon ratio of 1.00 and a temperature of 100 degrees C. Hydrogen cyanide is favored at high temperatures and low oxygen-to-carbon ratios with a maximum of 3.18% occurring at an oxygen-to-carbon ratio of 0.40 and a steam-to-carbon ratio of 0.00 in the temperature range of 400 degrees C-500 degrees C. Increasing the system pressure shifts the equilibrium toward ammonia and hydrogen cyanide. (c) 2005 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Semelsberger, TA (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, POB 1663,Mail Stop J579, Los Alamos, NM 87545 USA. EM troy@lanl.gov RI 孙, 兆松/E-8654-2011 NR 63 TC 44 Z9 48 U1 3 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD APR 21 PY 2006 VL 155 IS 2 BP 340 EP 352 DI 10.1016/j.jpowsour.2005.04.031 PG 13 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 035LR UT WOS:000237003000030 ER PT J AU Bloom, I Potter, BG Johnson, CS Gering, KL Christophersen, JP AF Bloom, I Potter, BG Johnson, CS Gering, KL Christophersen, JP TI Effect of cathode composition on impedance rise in high-power lithium-ion cells: Long-term aging results SO JOURNAL OF POWER SOURCES LA English DT Article DE impedance rise; lithium-ion; cycle life; calendar life ID SOLID-SOLUTIONS AB Extended cycle- and calendar-life testing of lithium-ion cells has shown the effect of aluminum concentration in the cathode on the area-specific impedance versus time behavior of the cell. In cells with a LiNi0.8Co0.15Al0.05O2 (5% Al) cathode, the change in mechanism from t(1/2) to t occurred at about 35 weeks. Increasing the aluminum concentration to 10% (LiNi0.8Co0.1Al0.1O2) delayed the change for, approximately, an additional 30 weeks. The factors affecting the rate of increase during the parabolic and linear portions of the curve depended on cathode composition and particle size. The difference in the time it took for the change in mechanism was related to the cathode composition. (c) 2005 Elsevier B.V. All rights reserved. C1 Argonne Natl Lab, Electrochem Technol Program, Argonne, IL 60439 USA. Idaho Natl Engn Lab, Idaho Falls, ID 83415 USA. RP Bloom, I (reprint author), Argonne Natl Lab, Electrochem Technol Program, 9700 S Cass Ave, Argonne, IL 60439 USA. EM bloom@cmt.anl.gov NR 10 TC 14 Z9 15 U1 2 U2 37 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-7753 J9 J POWER SOURCES JI J. Power Sources PD APR 21 PY 2006 VL 155 IS 2 BP 415 EP 419 DI 10.1016/j.jpowsour.2005.05.008 PG 5 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 035LR UT WOS:000237003000041 ER PT J AU Shandarin, S Feldman, HA Heitmann, K Habib, S AF Shandarin, S Feldman, HA Heitmann, K Habib, S TI Shapes and sizes of voids in the Lambda cold dark matter universe: excursion set approach SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE cosmology : theory; dark matter; large-scale structure of Universe ID LARGE-SCALE STRUCTURE; DIGITAL SKY SURVEY; REDSHIFT SURVEY; EVOLUTION; GALAXIES; SUPERCLUSTER; COLLAPSE; DENSITY; FIELDS; MODEL AB We study the global distribution and morphology of dark matter voids in a Lambda cold dark matter (Lambda CDM) universe using density fields generated by N-body simulations. Voids are defined as isolated regions of the low-density excursion set specified via density thresholds, the density thresholds being quantified by the corresponding filling factors, i.e. the fraction of the total volume in the excursion set. Our work encompasses a systematic investigation of the void volume function, the volume fraction in voids and the fitting of voids to corresponding ellipsoids and spheres. We emphasize the relevance of the percolation threshold to the void volume statistics of the density field in the high redshift, Gaussian random field regime as well as in the present epoch. By using measures such as the Inverse Porosity, we characterize the quality of ellipsoidal fits to voids, finding that such fits are a poor representation of the larger voids that dominate the volume of the void excursion set. C1 Univ Kansas, Dept Phys & Astron, Lawrence, KS 66045 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Shandarin, S (reprint author), Univ Kansas, Dept Phys & Astron, Lawrence, KS 66045 USA. EM sergei@ku.edu; feldman@ku.edu; heitmann@lanl.gov; habib@lanl.gov NR 41 TC 54 Z9 55 U1 2 U2 2 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0035-8711 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD APR 21 PY 2006 VL 367 IS 4 BP 1629 EP 1640 DI 10.1111/j.1365-2966.2006.10062.x PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 030AV UT WOS:000236606400025 ER PT J AU Abulencia, A Acosta, D Adelman, J Affolder, T Akimoto, T Albrow, MG Ambrose, D Amerio, S Amidei, D Anastassov, A Anikeev, K Annovi, A Antos, J Aoki, M Apollinari, G Arguin, JF Arisawa, T Artikov, A Ashmanskas, W Attal, A Azfar, F Azzi-Bacchetta, P Azzurri, P Bacchetta, N Bachacou, H Badgett, W Barbaro-Galtieri, A Barnes, VE Barnett, BA Baroiant, S Bartsch, V Bauer, G Bedeschi, F Behari, S Belforte, S Bellettini, G Bellinger, J Belloni, A Ben-Haim, E Benjamin, D Beretvas, A Beringer, J Berry, T Bhatti, A Binkley, M Bisello, D Bishai, M Blair, RE Blocker, C Bloom, K Blumenfeld, B Bocci, A Bodek, A Boisvert, V Bolla, G Bolshov, A Bortoletto, D Boudreau, J Bourov, S Boveia, A Brau, B Bromberg, C Brubaker, E Budagov, J Budd, HS Budd, S Burkett, K Busetto, G Bussey, P Byrum, KL Cabrera, S Campanelli, M Campbell, M Canelli, F Canepa, A Carlsmith, D Carosi, R Carron, S Casarsa, M Castro, A Catastini, P Cauz, D Cavalli-Sforza, M Cerri, A Cerrito, L Chang, SH Chapman, J Chen, YC Chertok, M Chiarelli, G Chlachidze, G Chlebana, F Cho, I Cho, K Chokheli, D Chou, JP Chu, PH Chuang, SH Chung, K Chung, WH Chung, YS Ciljak, M Ciobanu, CI Ciocci, MA Clark, A Clark, D Coca, M Connolly, A Convery, ME Conway, J Cooper, B Copic, K Cordelli, M Cortiana, G Cruz, A Cuevas, J Culbertson, R Cyr, D DaRonco, S D'Auria, S D'onofrio, M Dagenhart, D de Barbaro, P De Cecco, S Deisher, A De Lentdecker, G Dell'Orso, M Demers, S Demortier, L Deng, J Deninno, M De Pedis, D Derwent, PF Dionisi, C Dittmann, J DiTuro, P Dorr, C Dominguez, A Donati, S Donega, M Dong, P Donini, J Dorigo, T Dube, S Ebina, K Efron, J Ehlers, J Erbacher, R Errede, D Errede, S Eusebi, R Fang, HC Farrington, S Fedorko, I Fedorko, WT Feild, RG Feindt, M Fernandez, JP Field, R Flanagan, G Flores-Castillo, LR Foland, A Forrester, S Foster, GW Franklin, M Freeman, JC Fujii, Y Furic, I Gajjar, A Gallinaro, M Galyardt, J Garcia, JE Garcia Sciverez, M Garfinkel, AF Gay, C Gerberich, H Gerchtein, E Gerdes, D Giagu, S Giannetti, P Gibson, A Gibson, K Ginsburg, C Giolo, K Giordani, M Giunta, M Giurgiu, G Glagolev, V Glenzinski, D Gold, M Goldschmidt, N Goldstein, J Gomez, G Gomez-Ceballos, G Goncharov, M Gonzalez, O Gorelov, I Goshaw, AT Gotra, Y Goulianos, K Gresele, A Griffiths, M Grinstein, S Grosso-Pilcher, C Grundler, U da Costa, JG Haber, C Hahn, SR Hahn, K Halkiadakis, E Hamilton, A Han, BY Handler, R Happacher, F Hara, K Hare, M Harper, S Harr, RF Harris, RM Hatakeyama, K Hauser, J Hays, C Hayward, H Heijboer, A Heinemann, B Heinrich, J Hennecke, M Herndon, M Heuser, J Hidas, D Hill, CS Hirschbuehl, D Hocker, A Holloway, A Hou, S Houlden, M Hsu, SC Huffman, BT Hughes, RE Huston, J Ikado, K Incandela, J Introzzi, G Iori, M Ishizawa, Y Ivanov, A Iyutin, B James, E Jang, D Jayatilaka, B Jeans, D Jensen, H Jeon, EJ Jones, M Joo, KK Jun, SY Junk, TR Kamon, T Kang, J Karagoz-Unel, M Karchin, PE Kato, Y Kemp, Y Kephart, R Kerzel, U Khotilovich, V Kilminster, B Kim, DH Kim, HS Kim, JE Kim, MJ Kim, MS Kim, SB Kim, SH Kim, YK Kirby, M Kirsch, L Klimenko, S Klute, M Knuteson, B Ko, BR Kobayashi, H Kondo, K Kong, DJ Konigsberg, J Kordas, K Korytov, A Kotwal, AV Kovalev, A Kraus, J Kravchenko, I Kreps, M Kreymer, A Kroll, J Krumnack, N Kruse, M Krutelyov, V Kuhlmann, SE Kusakabe, Y Kwang, S Laasanen, AT Lai, S Lami, S Lami, S Lammel, S Lancaster, M Lander, RL Lannon, K Lath, A Latino, G Lazzizzera, I Lecci, C LeCompte, T Lee, J Lee, J Lee, SW Lefevre, R Leonardo, N Leone, S Levy, S Lewis, JD Li, K Lin, C Lin, CS Lindgren, M Lipeles, E Liss, TM Lister, A Litvintsev, DO Liu, T Liu, Y Lockyer, NS Loginov, A Loreti, M Loverre, P Lu, RS Lucchesi, D Lujan, P Lukens, P Lungu, G Lyons, L Lys, J Lysak, R Lytken, E Mack, P MacQueen, D Madrak, R Maeshima, K Maki, T Maksimovic, P Manca, G Margaroli, F Marginean, R Marino, C Martin, A Martin, M Martin, V Martinez, M Maruyama, T Matsunaga, H Mattson, ME Mazini, R Mazzanti, P McFarland, KS McGivern, D McIntyre, P McNamara, P McNulty, R Mehta, A Menzemer, S Menzione, A Merkel, P Mesropian, C Messina, A von der Mey, M Miao, T Miladinovic, N Miles, J Miller, R Miller, JS Mills, C Milnik, M Miquel, R Miscetti, S Mitselmakher, G Miyamoto, A Moggi, N Mohr, B Moore, R Morello, M Fernandez, PM Mulmenstadt, J Mukherjee, A Mulhearn, M Muller, T Mumford, R Murat, P Nachtman, J Nahn, S Nakano, I Napier, A Naumov, D Necula, V Neu, C Neubauer, MS Nielsen, J Nigmanov, T Nodulman, L Norniella, O Ogawa, T Oh, SH Oh, YD Okusawa, T Oldeman, R Orava, R Osterberg, K Pagliarone, C Palencia, E Paoletti, R Papadimitriou, V Papikonomou, A Paramonov, AA Parks, B Pashapour, S Patrick, J Pauletta, G Paulini, M Paus, C Pellett, DE Penzo, A Phillips, TJ Piacentino, G Piedra, J Pitts, K Plager, C Pondrom, L Pope, G Portell, X Poukhov, O Pounder, N Prakoshyn, F Pronko, A Proudfoot, J Ptohos, F Punzi, G Pursley, J Rademacker, J Rahaman, A Rakitin, A Rappoccio, S Ratnikov, F Reisert, B Rekovic, V van Remortel, N Renton, P Rescigno, M Richter, S Rimondi, F Rinnert, K Ristori, L Robertson, WJ Robson, A Rodrigo, T Rogers, E Rolli, S Roser, R Rossi, M Rossin, R Rott, C Ruiz, A Russ, J Rusu, V Ryan, D Saarikko, H Sabik, S Safonov, A Sakumoto, WK Salamanna, G Salto, O Saltzberg, D Sanchez, C Santi, L Sarkar, S Sato, K Savard, P Savoy-Navarro, A Scheidle, T Schlabach, P Schmidt, EE Schmidt, MP Schmitt, M Schwarz, T Scodellaro, L Scott, AL Scribano, A Scuri, F Sedov, A Seidel, S Seiya, Y Semenov, A Semeria, F Sexton-Kennedy, L Sfiligoi, I Shapiro, MD Shears, T Shepard, PF Sherman, D Shimojima, M Shochet, M Shon, Y Shreyber, I Sidoti, A Sill, A Sinervo, P Sisakyan, A Sjolin, J Skiba, A Slaughter, AJ Sliwa, K Smirnov, D Smith, JR Snider, FD Snihur, R Soderberg, M Soha, A Somalwar, S Sorin, V Spalding, J Spinella, F Squillacioti, P Stanitzki, M Staveris-Polykalas, A St Denis, R Stelzer, B Stelzer-Chilton, O Stentz, D Strologas, J Stuart, D Suh, JS Sukhanov, A Sumorok, K Sun, H Suzuki, T Taffard, A Tafirout, R Takashima, R Takeuchi, Y Takikawa, K Tanaka, M Tanaka, R Tecchio, M Teng, PK Terashi, K Tether, S Thom, J Thompson, AS Thomson, E Tipton, P Tiwari, V Tkaczyk, S Toback, D Tollefson, K Tomura, T Tonelli, D Tonnesmann, M Torre, S Torretta, D Tourneur, S Trischuk, W Tsuchiya, R Tsuno, S Turini, N Ukegawa, F Unverhau, T Uozumi, S Usynin, D Vacavant, L Vaiciulis, A Vallecorsa, S Varganov, A Vataga, E Velev, G Veramendi, G Veszpremi, V Vickey, T Vidal, R Vila, I Vilar, R Vollrath, I Volobouev, I Wurthwein, F Wagner, P Wagner, RG Wagner, RL Wagner, W Wallny, R Walter, T Wan, Z Wang, MJ Wang, SM Warburton, A Ward, B Waschke, S Waters, D Watts, T Weber, M Wester, WC Whitehouse, B Whiteson, D Wicklund, AB Wicklund, E Williams, HH Wilson, P Winer, BL Wittich, P Wolbers, S Wolfe, C Worm, S Wright, T Wu, X Wynne, SM Yagil, A Yamamoto, K Yamaoka, J Yamashita, Y Yang, C Yang, UK Yao, WM Yeh, GP Yoh, J Yorita, K Yoshida, T Yu, I Yu, SS Yun, JC Zanello, L Zanetti, A Zaw, I Zetti, F Zhang, X Zhou, J Zucchelli, S AF Abulencia, A Acosta, D Adelman, J Affolder, T Akimoto, T Albrow, MG Ambrose, D Amerio, S Amidei, D Anastassov, A Anikeev, K Annovi, A Antos, J Aoki, M Apollinari, G Arguin, JF Arisawa, T Artikov, A Ashmanskas, W Attal, A Azfar, F Azzi-Bacchetta, P Azzurri, P Bacchetta, N Bachacou, H Badgett, W Barbaro-Galtieri, A Barnes, VE Barnett, BA Baroiant, S Bartsch, V Bauer, G Bedeschi, F Behari, S Belforte, S Bellettini, G Bellinger, J Belloni, A Ben-Haim, E Benjamin, D Beretvas, A Beringer, J Berry, T Bhatti, A Binkley, M Bisello, D Bishai, M Blair, RE Blocker, C Bloom, K Blumenfeld, B Bocci, A Bodek, A Boisvert, V Bolla, G Bolshov, A Bortoletto, D Boudreau, J Bourov, S Boveia, A Brau, B Bromberg, C Brubaker, E Budagov, J Budd, HS Budd, S Burkett, K Busetto, G Bussey, P Byrum, KL Cabrera, S Campanelli, M Campbell, M Canelli, F Canepa, A Carlsmith, D Carosi, R Carron, S Casarsa, M Castro, A Catastini, P Cauz, D Cavalli-Sforza, M Cerri, A Cerrito, L Chang, SH Chapman, J Chen, YC Chertok, M Chiarelli, G Chlachidze, G Chlebana, F Cho, I Cho, K Chokheli, D Chou, JP Chu, PH Chuang, SH Chung, K Chung, WH Chung, YS Ciljak, M Ciobanu, CI Ciocci, MA Clark, A Clark, D Coca, M Connolly, A Convery, ME Conway, J Cooper, B Copic, K Cordelli, M Cortiana, G Cruz, A Cuevas, J Culbertson, R Cyr, D DaRonco, S D'Auria, S D'onofrio, M Dagenhart, D de Barbaro, P De Cecco, S Deisher, A De Lentdecker, G Dell'Orso, M Demers, S Demortier, L Deng, J Deninno, M De Pedis, D Derwent, PF Dionisi, C Dittmann, J DiTuro, P Dorr, C Dominguez, A Donati, S Donega, M Dong, P Donini, J Dorigo, T Dube, S Ebina, K Efron, J Ehlers, J Erbacher, R Errede, D Errede, S Eusebi, R Fang, HC Farrington, S Fedorko, I Fedorko, WT Feild, RG Feindt, M Fernandez, JP Field, R Flanagan, G Flores-Castillo, LR Foland, A Forrester, S Foster, GW Franklin, M Freeman, JC Fujii, Y Furic, I Gajjar, A Gallinaro, M Galyardt, J Garcia, JE Garcia Sciverez, M Garfinkel, AF Gay, C Gerberich, H Gerchtein, E Gerdes, D Giagu, S Giannetti, P Gibson, A Gibson, K Ginsburg, C Giolo, K Giordani, M Giunta, M Giurgiu, G Glagolev, V Glenzinski, D Gold, M Goldschmidt, N Goldstein, J Gomez, G Gomez-Ceballos, G Goncharov, M Gonzalez, O Gorelov, I Goshaw, AT Gotra, Y Goulianos, K Gresele, A Griffiths, M Grinstein, S Grosso-Pilcher, C Grundler, U da Costa, JG Haber, C Hahn, SR Hahn, K Halkiadakis, E Hamilton, A Han, BY Handler, R Happacher, F Hara, K Hare, M Harper, S Harr, RF Harris, RM Hatakeyama, K Hauser, J Hays, C Hayward, H Heijboer, A Heinemann, B Heinrich, J Hennecke, M Herndon, M Heuser, J Hidas, D Hill, CS Hirschbuehl, D Hocker, A Holloway, A Hou, S Houlden, M Hsu, SC Huffman, BT Hughes, RE Huston, J Ikado, K Incandela, J Introzzi, G Iori, M Ishizawa, Y Ivanov, A Iyutin, B James, E Jang, D Jayatilaka, B Jeans, D Jensen, H Jeon, EJ Jones, M Joo, KK Jun, SY Junk, TR Kamon, T Kang, J Karagoz-Unel, M Karchin, PE Kato, Y Kemp, Y Kephart, R Kerzel, U Khotilovich, V Kilminster, B Kim, DH Kim, HS Kim, JE Kim, MJ Kim, MS Kim, SB Kim, SH Kim, YK Kirby, M Kirsch, L Klimenko, S Klute, M Knuteson, B Ko, BR Kobayashi, H Kondo, K Kong, DJ Konigsberg, J Kordas, K Korytov, A Kotwal, AV Kovalev, A Kraus, J Kravchenko, I Kreps, M Kreymer, A Kroll, J Krumnack, N Kruse, M Krutelyov, V Kuhlmann, SE Kusakabe, Y Kwang, S Laasanen, AT Lai, S Lami, S Lami, S Lammel, S Lancaster, M Lander, RL Lannon, K Lath, A Latino, G Lazzizzera, I Lecci, C LeCompte, T Lee, J Lee, J Lee, SW Lefevre, R Leonardo, N Leone, S Levy, S Lewis, JD Li, K Lin, C Lin, CS Lindgren, M Lipeles, E Liss, TM Lister, A Litvintsev, DO Liu, T Liu, Y Lockyer, NS Loginov, A Loreti, M Loverre, P Lu, RS Lucchesi, D Lujan, P Lukens, P Lungu, G Lyons, L Lys, J Lysak, R Lytken, E Mack, P MacQueen, D Madrak, R Maeshima, K Maki, T Maksimovic, P Manca, G Margaroli, F Marginean, R Marino, C Martin, A Martin, M Martin, V Martinez, M Maruyama, T Matsunaga, H Mattson, ME Mazini, R Mazzanti, P McFarland, KS McGivern, D McIntyre, P McNamara, P McNulty, R Mehta, A Menzemer, S Menzione, A Merkel, P Mesropian, C Messina, A von der Mey, M Miao, T Miladinovic, N Miles, J Miller, R Miller, JS Mills, C Milnik, M Miquel, R Miscetti, S Mitselmakher, G Miyamoto, A Moggi, N Mohr, B Moore, R Morello, M Fernandez, PM Mulmenstadt, J Mukherjee, A Mulhearn, M Muller, T Mumford, R Murat, P Nachtman, J Nahn, S Nakano, I Napier, A Naumov, D Necula, V Neu, C Neubauer, MS Nielsen, J Nigmanov, T Nodulman, L Norniella, O Ogawa, T Oh, SH Oh, YD Okusawa, T Oldeman, R Orava, R Osterberg, K Pagliarone, C Palencia, E Paoletti, R Papadimitriou, V Papikonomou, A Paramonov, AA Parks, B Pashapour, S Patrick, J Pauletta, G Paulini, M Paus, C Pellett, DE Penzo, A Phillips, TJ Piacentino, G Piedra, J Pitts, K Plager, C Pondrom, L Pope, G Portell, X Poukhov, O Pounder, N Prakoshyn, F Pronko, A Proudfoot, J Ptohos, F Punzi, G Pursley, J Rademacker, J Rahaman, A Rakitin, A Rappoccio, S Ratnikov, F Reisert, B Rekovic, V van Remortel, N Renton, P Rescigno, M Richter, S Rimondi, F Rinnert, K Ristori, L Robertson, WJ Robson, A Rodrigo, T Rogers, E Rolli, S Roser, R Rossi, M Rossin, R Rott, C Ruiz, A Russ, J Rusu, V Ryan, D Saarikko, H Sabik, S Safonov, A Sakumoto, WK Salamanna, G Salto, O Saltzberg, D Sanchez, C Santi, L Sarkar, S Sato, K Savard, P Savoy-Navarro, A Scheidle, T Schlabach, P Schmidt, EE Schmidt, MP Schmitt, M Schwarz, T Scodellaro, L Scott, AL Scribano, A Scuri, F Sedov, A Seidel, S Seiya, Y Semenov, A Semeria, F Sexton-Kennedy, L Sfiligoi, I Shapiro, MD Shears, T Shepard, PF Sherman, D Shimojima, M Shochet, M Shon, Y Shreyber, I Sidoti, A Sill, A Sinervo, P Sisakyan, A Sjolin, J Skiba, A Slaughter, AJ Sliwa, K Smirnov, D Smith, JR Snider, FD Snihur, R Soderberg, M Soha, A Somalwar, S Sorin, V Spalding, J Spinella, F Squillacioti, P Stanitzki, M Staveris-Polykalas, A St Denis, R Stelzer, B Stelzer-Chilton, O Stentz, D Strologas, J Stuart, D Suh, JS Sukhanov, A Sumorok, K Sun, H Suzuki, T Taffard, A Tafirout, R Takashima, R Takeuchi, Y Takikawa, K Tanaka, M Tanaka, R Tecchio, M Teng, PK Terashi, K Tether, S Thom, J Thompson, AS Thomson, E Tipton, P Tiwari, V Tkaczyk, S Toback, D Tollefson, K Tomura, T Tonelli, D Tonnesmann, M Torre, S Torretta, D Tourneur, S Trischuk, W Tsuchiya, R Tsuno, S Turini, N Ukegawa, F Unverhau, T Uozumi, S Usynin, D Vacavant, L Vaiciulis, A Vallecorsa, S Varganov, A Vataga, E Velev, G Veramendi, G Veszpremi, V Vickey, T Vidal, R Vila, I Vilar, R Vollrath, I Volobouev, I Wurthwein, F Wagner, P Wagner, RG Wagner, RL Wagner, W Wallny, R Walter, T Wan, Z Wang, MJ Wang, SM Warburton, A Ward, B Waschke, S Waters, D Watts, T Weber, M Wester, WC Whitehouse, B Whiteson, D Wicklund, AB Wicklund, E Williams, HH Wilson, P Winer, BL Wittich, P Wolbers, S Wolfe, C Worm, S Wright, T Wu, X Wynne, SM Yagil, A Yamamoto, K Yamaoka, J Yamashita, Y Yang, C Yang, UK Yao, WM Yeh, GP Yoh, J Yorita, K Yoshida, T Yu, I Yu, SS Yun, JC Zanello, L Zanetti, A Zaw, I Zetti, F Zhang, X Zhou, J Zucchelli, S CA CDF Collaboration TI Top-quark mass measurement from dilepton events at CDF II SO PHYSICAL REVIEW LETTERS LA English DT Article ID FERMILAB TEVATRON AB We report a measurement of the top-quark mass using events collected by the CDF II detector from pp collisions at root s=1.96 TeV at the Fermilab Tevatron. We calculate a likelihood function for the top-quark mass in events that are consistent with tt -> b center dot(-)nu(center dot)b center dot('+)nu(')(center dot) decays. The likelihood is formed as the convolution of the leading-order matrix element and detector resolution functions. The joint likelihood is the product of likelihoods for each of 33 events collected in 340 pb(-1) of integrated luminosity, yielding a top-quark mass M-t=165.2 +/- 6.1(stat)+/- 3.4(syst) GeV/c(2). This first application of a matrix-element technique to t -> b center dot(+)nu(center dot)b center dot('-)nu(')(center dot) decays gives the most precise single measurement of M-t in dilepton events. Combined with other CDF run II measurements using dilepton events, we measure M-t=167.9 +/- 5.2(stat)+/- 3.7(syst) GeV/c(2). C1 Univ Illinois, Urbana, IL 61801 USA. Acad Sinica, Inst Phys, Taipei 11529, Taiwan. Argonne Natl Lab, Argonne, IL 60439 USA. Univ Autonoma Barcelona, Inst Fis Altes Energies, E-08183 Bellaterra, Barcelona, Spain. Baylor Univ, Waco, TX 76798 USA. Univ Bologna, Ist Nazl Fis Nucl, I-40127 Bologna, Italy. Brandeis Univ, Waltham, MA 02254 USA. Univ Calif Davis, Davis, CA 95616 USA. Univ Calif Los Angeles, Los Angeles, CA 90024 USA. Univ Calif San Diego, La Jolla, CA 92093 USA. Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. Univ Cantabria, CSIC, Inst Fis, E-39005 Santander, Spain. Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. Joint Inst Nucl Res, RU-141980 Dubna, Russia. Duke Univ, Durham, NC 27708 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Univ Florida, Gainesville, FL 32611 USA. Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. Univ Geneva, CH-1211 Geneva 4, Switzerland. Univ Glasgow, Glasgow G12 8QQ, Lanark, Scotland. Harvard Univ, Cambridge, MA 02138 USA. Univ Helsinki, Dept Phys, Div High Energy Phys, FIN-00014 Helsinki, Finland. Helsinki Inst Phys, FIN-00014 Helsinki, Finland. Johns Hopkins Univ, Baltimore, MD 21218 USA. Univ Karlsruhe, Inst Expt Kernphys, D-76128 Karlsruhe, Germany. KEK, High Energy Accelerator Res Org, Tsukuba, Ibaraki 305, Japan. Kyungpook Natl Univ, Ctr High Energ Phys, Taegu 702701, South Korea. Seoul Natl Univ, Seoul 151742, South Korea. Sungkyunkwan Univ, Suwon 440746, South Korea. Ernest Orland Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Univ Liverpool, Liverpool L69 7ZE, Merseyside, England. UCL, London WC1E 6BT, England. MIT, Cambridge, MA 02139 USA. McGill Univ, Montreal, PQ H3A 2T8, Canada. McGill Univ, Inst Particle Phys, Montreal, PQ H3A 2T8, Canada. Univ Toronto, Toronto, ON M5S 1A7, Canada. Univ Michigan, Ann Arbor, MI 48109 USA. Michigan State Univ, E Lansing, MI 48824 USA. ITEP, Moscow 117259, Russia. Univ New Mexico, Albuquerque, NM 87131 USA. Northwestern Univ, Evanston, IL 60208 USA. Ohio State Univ, Columbus, OH 43210 USA. Okayama Univ, Okayama 7008530, Japan. Osaka City Univ, Osaka 558, Japan. Univ Oxford, Oxford OX1 3RH, England. Univ Padua, Ist Nazl Fis Nucl, Sez Padova Trento, I-35131 Padua, Italy. Univ Penn, Philadelphia, PA 19104 USA. Univ Pisa, Ist Nazl Fis Nucl, I-56127 Pisa, Italy. Scuola Normale Super Pisa, I-56127 Pisa, Italy. Univ Pittsburgh, Pittsburgh, PA 15260 USA. Purdue Univ, W Lafayette, IN 47907 USA. Univ Rochester, Rochester, NY 14627 USA. Rockefeller Univ, New York, NY 10021 USA. Univ Roma La Sapienza, Ist Nazl Fis Nucl, Sez Roma 1, I-00185 Rome, Italy. Rutgers State Univ, Piscataway, NJ 08855 USA. Texas A&M Univ, College Stn, TX 77843 USA. Univ Trieste, Ist Nazl Fis Nucl, I-34127 Trieste, Italy. Univ Tsukuba, Tsukuba, Ibaraki 305, Japan. Tufts Univ, Medford, MA 02155 USA. Waseda Univ, Tokyo 169, Japan. Wayne State Univ, Detroit, MI 48201 USA. Univ Wisconsin, Madison, WI 53706 USA. Yale Univ, New Haven, CT 06520 USA. RP Univ Illinois, Urbana, IL 61801 USA. RI Warburton, Andreas/N-8028-2013; Ruiz, Alberto/E-4473-2011; Robson, Aidan/G-1087-2011; De Cecco, Sandro/B-1016-2012; St.Denis, Richard/C-8997-2012; Azzi, Patrizia/H-5404-2012; manca, giulia/I-9264-2012; Amerio, Silvia/J-4605-2012; Punzi, Giovanni/J-4947-2012; messina, andrea/C-2753-2013; Annovi, Alberto/G-6028-2012; Ivanov, Andrew/A-7982-2013; Connolly, Amy/J-3958-2013; Gorelov, Igor/J-9010-2015; Kim, Soo-Bong/B-7061-2014; Canelli, Florencia/O-9693-2016; Garcia, Jose /H-6339-2015; Cavalli-Sforza, Matteo/H-7102-2015; Grinstein, Sebastian/N-3988-2014; Lazzizzera, Ignazio/E-9678-2015; Lysak, Roman/H-2995-2014; Muelmenstaedt, Johannes/K-2432-2015; Chiarelli, Giorgio/E-8953-2012; Scodellaro, Luca/K-9091-2014; Paulini, Manfred/N-7794-2014; Russ, James/P-3092-2014; Cabrera Urban, Susana/H-1376-2015; ciocci, maria agnese /I-2153-2015; Prokoshin, Fedor/E-2795-2012; Introzzi, Gianluca/K-2497-2015; Leonardo, Nuno/M-6940-2016; Lancaster, Mark/C-1693-2008 OI Warburton, Andreas/0000-0002-2298-7315; Ruiz, Alberto/0000-0002-3639-0368; Azzi, Patrizia/0000-0002-3129-828X; Punzi, Giovanni/0000-0002-8346-9052; Annovi, Alberto/0000-0002-4649-4398; Ivanov, Andrew/0000-0002-9270-5643; Gorelov, Igor/0000-0001-5570-0133; Canelli, Florencia/0000-0001-6361-2117; Margaroli, Fabrizio/0000-0002-3869-0153; Latino, Giuseppe/0000-0002-4098-3502; iori, maurizio/0000-0002-6349-0380; Grinstein, Sebastian/0000-0002-6460-8694; Lancaster, Mark/0000-0002-8872-7292; Nielsen, Jason/0000-0002-9175-4419; Chu, Pinghan/0000-0003-1372-2910; Jun, Soon Yung/0000-0003-3370-6109; Toback, David/0000-0003-3457-4144; Hays, Chris/0000-0003-2371-9723; Lazzizzera, Ignazio/0000-0001-5092-7531; Muelmenstaedt, Johannes/0000-0003-1105-6678; Rott, Carsten/0000-0002-6958-6033; Lami, Stefano/0000-0001-9492-0147; Chiarelli, Giorgio/0000-0001-9851-4816; Giordani, Mario/0000-0002-0792-6039; Casarsa, Massimo/0000-0002-1353-8964; Farrington, Sinead/0000-0001-5350-9271; Robson, Aidan/0000-0002-1659-8284; Gallinaro, Michele/0000-0003-1261-2277; Salamanna, Giuseppe/0000-0002-0861-0052; Torre, Stefano/0000-0002-7565-0118; Turini, Nicola/0000-0002-9395-5230; Miquel, Ramon/0000-0002-6610-4836; Osterberg, Kenneth/0000-0003-4807-0414; Goldstein, Joel/0000-0003-1591-6014; Scodellaro, Luca/0000-0002-4974-8330; Paulini, Manfred/0000-0002-6714-5787; Russ, James/0000-0001-9856-9155; ciocci, maria agnese /0000-0003-0002-5462; Prokoshin, Fedor/0000-0001-6389-5399; Introzzi, Gianluca/0000-0002-1314-2580; Leonardo, Nuno/0000-0002-9746-4594; NR 30 TC 102 Z9 102 U1 1 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 21 PY 2006 VL 96 IS 15 AR 152002 DI 10.1103/PhysRevLett.96.152002 PG 7 WC Physics, Multidisciplinary SC Physics GA 034ZP UT WOS:000236969700019 ER PT J AU Adamova, D Agakichiev, G Antonczyk, D Appelshauser, H Belaga, V Bielcikova, J Braun-Munzinger, P Busch, O Cherlin, A Damjanovic, S Dietel, T Dietrich, L Drees, A Esumi, SI Filimonov, K Fomenko, K Fraenkel, Z Garabatos, C Glassel, P Hering, G Holeczek, J Krobath, G Kushpil, V Ludolphs, W Maas, A Marin, A Milosevic, J Miskowiec, D Ortega, R Panebrattsev, Y Petchenova, O Petracek, V Radomski, S Rak, J Ravinovich, I Rehak, P Sako, H Schmitz, W Schukraft, J Sedykh, S Shimansky, S Stachel, J Sumbera, M Tilsner, H Tserruya, I Tsiledakis, G Wessels, JP Wienold, T Wurm, JP Yurevich, S Yurevich, V AF Adamova, D Agakichiev, G Antonczyk, D Appelshauser, H Belaga, V Bielcikova, J Braun-Munzinger, P Busch, O Cherlin, A Damjanovic, S Dietel, T Dietrich, L Drees, A Esumi, SI Filimonov, K Fomenko, K Fraenkel, Z Garabatos, C Glassel, P Hering, G Holeczek, J Krobath, G Kushpil, V Ludolphs, W Maas, A Marin, A Milosevic, J Miskowiec, D Ortega, R Panebrattsev, Y Petchenova, O Petracek, V Radomski, S Rak, J Ravinovich, I Rehak, P Sako, H Schmitz, W Schukraft, J Sedykh, S Shimansky, S Stachel, J Sumbera, M Tilsner, H Tserruya, I Tsiledakis, G Wessels, JP Wienold, T Wurm, JP Yurevich, S Yurevich, V TI Leptonic and charged kaon decay modes of the phi meson measured in heavy-ion collisions at the CERN super proton synchrotron SO PHYSICAL REVIEW LETTERS LA English DT Article ID PB-AU COLLISIONS; PAIR PRODUCTION; SPS ENERGIES; 158 GEV/C; NUCLEON; MATTER; STRANGENESS; DILEPTONS; MOMENTUM AB We report on results of a measurement of phi meson production in central Pb-Au collisions at E-lab=158A GeV. For the first time in the history of high energy heavy-ion collisions, phi mesons were reconstructed both in the K+K- and the dilepton decay channels in the same experiment. This measurement yields rapidity densities near midrapidity, from the two decay channels, of 2.05 +/- 0.14(stat)+/- 0.25(syst) and 2.04 +/- 0.49(stat)+/- 0.32(syst), respectively. The shape of the measured transverse momentum spectrum is also in close agreement in both decay channels. The data rule out a possible enhancement of the phi yield in the leptonic over the hadronic decay channel of a factor 1.6 or larger at the 95% C.L. This rules out the discrepancy reported in the literature between measurements of the hadronic and dimuon decay channels by two different experiments. C1 ASCR, NPI, Rez, Czech Republic. GSI Darmstadt, D-6100 Darmstadt, Germany. Goethe Univ Frankfurt, D-6000 Frankfurt, Germany. JINR, Dubna, Russia. Heidelberg Univ, D-6900 Heidelberg, Germany. Weizmann Inst Sci, IL-76100 Rehovot, Israel. SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. CERN, Geneva, Switzerland. Univ Munster, D-4400 Munster, Germany. Max Planck Inst Kernphys, D-69117 Heidelberg, Germany. RP ASCR, NPI, Rez, Czech Republic. RI Sumbera, Michal/O-7497-2014; Adamova, Dagmar/G-9789-2014 OI Sumbera, Michal/0000-0002-0639-7323; NR 39 TC 33 Z9 33 U1 0 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 21 PY 2006 VL 96 IS 15 AR 152301 DI 10.1103/PhysRevLett.96.152301 PG 5 WC Physics, Multidisciplinary SC Physics GA 034ZP UT WOS:000236969700020 PM 16712151 ER PT J AU Brambrink, E Schreiber, J Schlegel, T Audebert, P Cobble, J Fuchs, J Hegelich, M Roth, M AF Brambrink, E Schreiber, J Schlegel, T Audebert, P Cobble, J Fuchs, J Hegelich, M Roth, M TI Transverse characteristics of short-pulse laser-produced ion beams: A study of the acceleration dynamics SO PHYSICAL REVIEW LETTERS LA English DT Article ID HIGH-INTENSITY LASER; PROTON-BEAMS; THIN FOILS; DRIVEN; GENERATION; ELECTRON; SOLIDS; PLASMA AB We report on first measurements of the transverse characteristics of laser-produced energetic ion beams in direct comparison to results for laser accelerated proton beams. The experiments show the same low emittance for ion beams as already found for protons. Additionally, we demonstrate that the divergence is influenced by the charge over mass ratio of the accelerated species. From these observations we deduced scaling laws for the divergence of ions as well as the temporal evolution of the ion source size. C1 Univ Paris 06, Ecole Polytech, LULI,CEA, CNRS,Unite Mixte 7605, Palaiseau, France. Tech Univ Darmstadt, Inst Nucl Phys, Darmstadt, Germany. Gesell Schwerionenforsch mbH, Darmstadt, Germany. LMU, Munich, Germany. Los Alamos Natl Lab, Los Alamos, NM USA. Univ Nevada, Nevada Terawatt Facil, Reno, NV 89557 USA. RP Univ Paris 06, Ecole Polytech, LULI,CEA, CNRS,Unite Mixte 7605, Palaiseau, France. EM erik.brambrink@polytechnique.fr RI Fuchs, Julien/D-3450-2016 OI Fuchs, Julien/0000-0001-9765-0787 NR 30 TC 44 Z9 44 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 21 PY 2006 VL 96 IS 15 AR 154801 DI 10.1103/PhysRevLett.96.154801 PG 4 WC Physics, Multidisciplinary SC Physics GA 034ZP UT WOS:000236969700033 PM 16712164 ER PT J AU Esbensen, H Bertsch, GF Snover, KA AF Esbensen, H Bertsch, GF Snover, KA TI Esbensen, Bertsch, and Snover reply SO PHYSICAL REVIEW LETTERS LA English DT Editorial Material ID COULOMB DISSOCIATION; B-8 C1 Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. Univ Washington, Seattle, WA 98195 USA. RP Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. NR 8 TC 0 Z9 0 U1 1 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 21 PY 2006 VL 96 IS 15 AR 159202 DI 10.1103/PhysRevLett.96.159202 PG 1 WC Physics, Multidisciplinary SC Physics GA 034ZP UT WOS:000236969700072 ER PT J AU Fu, HC Seidel, A Clarke, J Lee, DH AF Fu, HC Seidel, A Clarke, J Lee, DH TI Stabilizing superconductivity in nanowires by coupling to dissipative environments SO PHYSICAL REVIEW LETTERS LA English DT Article ID 2-DIMENSIONAL SYSTEMS; TRANSITION; WIRES; TRANSPORT AB We present a theory for a finite-length superconducting nanowire coupled to an environment. We show that in the absence of dissipation quantum phase slips always destroy superconductivity, even at zero temperature. Dissipation stabilizes the superconducting phase. We apply this theory to explain the "antiproximity effect" recently seen by Tian et al. in zinc nanowires. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Tsing Hua Univ, Ctr Adv Study, Beijing 100084, Peoples R China. RP Fu, HC (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RI Fu, Henry/F-2861-2014 NR 28 TC 22 Z9 22 U1 2 U2 8 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 21 PY 2006 VL 96 IS 15 AR 157005 DI 10.1103/PhysRevLett.96.157005 PG 4 WC Physics, Multidisciplinary SC Physics GA 034ZP UT WOS:000236969700059 PM 16712190 ER PT J AU Meevasana, W Ingle, NJC Lu, DH Shi, JR Baumberger, F Shen, KM Lee, WS Cuk, T Eisaki, H Devereaux, TP Nagaosa, N Zaanen, J Shen, ZX AF Meevasana, W Ingle, NJC Lu, DH Shi, JR Baumberger, F Shen, KM Lee, WS Cuk, T Eisaki, H Devereaux, TP Nagaosa, N Zaanen, J Shen, ZX TI Doping dependence of the coupling of electrons to bosonic modes in the single-layer high-temperature Bi2Sr2CuO6 superconductor SO PHYSICAL REVIEW LETTERS LA English DT Article ID CHARGE DYNAMICS; CUPRATE SUPERCONDUCTORS; T-C; DISPERSION; ENERGY; STATES AB A recent highlight in the study of high-T-c superconductors is the observation of band renormalization or self-energy effects on the quasiparticles. This is seen in the form of kinks in the quasiparticle dispersions as measured by photoemission and interpreted as signatures of collective bosonic modes coupling to the electrons. Here we compare for the first time the self-energies in an optimally doped and strongly overdoped, nonsuperconducting single-layer Bi-cuprate (Bi2Sr2CuO6). In addition to the appearance of a strong overall weakening, we also find that the weight of the self-energy in the overdoped system shifts to higher energies. We present evidence that this is related to a change in the coupling to c-axis phonons due to the rapid change of the c-axis screening in this doping range. C1 Stanford Univ, Dept Phys, Stanford, CA 94305 USA. Stanford Univ, Stanford Synchrotron Radiat Lab, Stanford, CA 94305 USA. Chinese Acad Sci, Inst Phys & ICQS, Beijing, Peoples R China. AIST, Nanoelect Res Inst, Tsukuba, Ibaraki 3050032, Japan. Univ Waterloo, Dept Phys, Waterloo, ON N2L 3G1, Canada. Univ Tokyo, Dept Appl Phys, CREST, Bunkyo Ku, Tokyo 113, Japan. RP Stanford Univ, Dept Phys, Stanford, CA 94305 USA. EM non@stanford.edu RI Baumberger, Felix/A-5170-2008; Shen, Kyle/B-3693-2008; Shi, Junren/D-5156-2009; Nagaosa, Naoto/G-7057-2012 OI Baumberger, Felix/0000-0001-7104-7541; NR 29 TC 78 Z9 78 U1 3 U2 15 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 21 PY 2006 VL 96 IS 15 AR 157003 DI 10.1103/PhysRevLett.96.157003 PG 4 WC Physics, Multidisciplinary SC Physics GA 034ZP UT WOS:000236969700057 PM 16712188 ER PT J AU Payne, DJ Egdell, RG Walsh, A Watson, GW Guo, J Glans, PA Learmonth, T Smith, KE AF Payne, DJ Egdell, RG Walsh, A Watson, GW Guo, J Glans, PA Learmonth, T Smith, KE TI Electronic origins of structural distortions in post-transition metal oxides: Experimental and theoretical evidence for a revision of the lone pair model SO PHYSICAL REVIEW LETTERS LA English DT Article ID ALPHA-PBO; SEMICONDUCTOR TRANSITION; PHOTOELECTRON-SPECTRA; SPECTROSCOPY AB Structural distortions in post-transition metal oxides are often explained in terms of the influence of sp hybrid "lone pairs." Evidence is presented here showing that this model must be revised. The electronic structures of prototypically distorted alpha-PbO and alpha-Bi2O3 have been measured by high-resolution x-ray photoemission and soft x-ray emission spectroscopies. In contrast with the expectations of the lone pair model, a high density of metal 6s states is observed at the bottom of the valence band. The measurements are consistent with the results of density functional theory calculations. C1 Univ Oxford, Inorgan Chem Lab, Dept Chem, Oxford OX1 3QR, England. Trinity Coll Dublin, Dept Chem, Dublin 2, Ireland. Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. Boston Univ, Dept Phys, Boston, MA 02115 USA. RP Egdell, RG (reprint author), Univ Oxford, Inorgan Chem Lab, Dept Chem, S Parks Rd, Oxford OX1 3QR, England. EM russell.egdell@chem.ox.ac.uk RI Walsh, Aron/A-7843-2008; Watson, Graeme/B-4262-2008; Payne, David/C-2117-2011; Payne, David/C-2148-2014; Glans, Per-Anders/G-8674-2016 OI Walsh, Aron/0000-0001-5460-7033; Watson, Graeme/0000-0001-6732-9474; Payne, David/0000-0002-2120-6679; NR 26 TC 119 Z9 119 U1 6 U2 44 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 21 PY 2006 VL 96 IS 15 AR 157403 DI 10.1103/PhysRevLett.96.157403 PG 4 WC Physics, Multidisciplinary SC Physics GA 034ZP UT WOS:000236969700064 PM 16712195 ER PT J AU Wilson, SD Li, SL Woo, H Dai, PC Mook, HA Frost, CD Komiya, S Ando, Y AF Wilson, SD Li, SL Woo, H Dai, PC Mook, HA Frost, CD Komiya, S Ando, Y TI High-energy spin excitations in the electron-doped superconductor Pr0.88LaCe0.12CuO4-delta with T-c=21 K SO PHYSICAL REVIEW LETTERS LA English DT Article ID MAGNETIC FLUCTUATIONS; SUSCEPTIBILITY; LA2-XSRXCUO4; YBA2CU3O6+X; STRIPES AB We use high-resolution inelastic neutron scattering to study the low-temperature magnetic excitations of the electron-doping superconductor Pr0.88LaCe0.12CuO4-delta (T-c=21 +/- 1 K) over a wide energy range (4 meV <= h omega <= 330 meV). The effect of electron doping is to cause a wave vector (Q) broadening in the low-energy (h omega <= 80 meV) commensurate spin fluctuations at (0.5, 0.5) and to suppress the intensity of spin-wave-like excitations at high energies (h omega >= 100 meV). This leads to a substantial redistribution in the spectrum of the local dynamical spin susceptibility chi('')(omega), and reveals a new energy scale similar to that of the lightly hole-doped YB2Cu3O6.353 (T-c=18 K). C1 Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Ctr Neutron Scattering, Oak Ridge, TN 37831 USA. Rutherford Appleton Lab, ISIS Facil, Didcot OX11 0QX, Oxon, England. Cent Res Inst Elect Power Ind, Komae, Tokyo 2018511, Japan. RP Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. EM daip@ornl.gov RI Li, Shiliang/B-9379-2009; Dai, Pengcheng /C-9171-2012; Ando, Yoichi/B-8163-2013 OI Dai, Pengcheng /0000-0002-6088-3170; Ando, Yoichi/0000-0002-3553-3355 NR 28 TC 39 Z9 40 U1 0 U2 5 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 21 PY 2006 VL 96 IS 15 AR 157001 DI 10.1103/PhysRevLett.96.157001 PG 4 WC Physics, Multidisciplinary SC Physics GA 034ZP UT WOS:000236969700055 PM 16712186 ER PT J AU Bucksbaum, PH AF Bucksbaum, PH TI The first femtosecond in the life of a chemical reaction SO SCIENCE LA English DT Editorial Material C1 Stanford Linear Accelerator Ctr, Photon Sci Div, Menlo Pk, CA 94025 USA. RP Bucksbaum, PH (reprint author), Stanford Linear Accelerator Ctr, Photon Sci Div, Menlo Pk, CA 94025 USA. EM phb@slac.stanford.edu NR 4 TC 1 Z9 1 U1 1 U2 5 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 J9 SCIENCE JI Science PD APR 21 PY 2006 VL 312 IS 5772 BP 373 EP 374 DI 10.1126/science.1125514 PG 2 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 034OZ UT WOS:000236941800028 PM 16627727 ER PT J AU Kotov, O Trudolyubov, S Vestrand, WT AF Kotov, O Trudolyubov, S Vestrand, WT TI A cluster of galaxies hiding behind M31: XMM-Newton observations of RX J0046.4+4204 SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies : clusters : individual (RX J0046.4+4204); intergalactic medium; X-rays : galaxies : clusters ID X-RAY-CLUSTERS; M-T RELATION; GAS FRACTION; CHANDRA; ROSAT; MASS; SAMPLE AB We report on our serendipitous discovery with the XMM-Newton Observatory of a luminous X-ray-emitting cluster of galaxies that is located behind the Andromeda galaxy (M31). X-ray emission from the cluster was detected previously by ROSAT and cataloged as RX J0046.4+4204, but it was not recognized as a galaxy cluster. The much greater sensitivity of our XMM-Newton observations revealed diffuse X-ray emission that extends at least 50 and has a surface brightness profile that is well fit by the alpha-beta model with beta = 0.70 +/- 0.08, a core radius r(c) = 56" +/- 16", and alpha = 1.54 +/- 0.25. A joint global spectral fit of the EPIC MOS1, MOS2, and pn observations with the Mewe-Kaastra-Liedahl plasma emission model gives a cluster temperature of 5.5 +/- 0.5 keV. The observed spectra also show high significance iron emission lines that yield a measured cluster redshift of z = 0: 290 with 2% accuracy. For a cosmological model with H-0 = 71 km s(-1) Mpc(-1), Omega(M) = 0.3, and Omega(Lambda) = 0.7, we derive a bolometric luminosity of L-X = (8.4 +/- 0.5); 10(44) ergs s(-1). This discovery of a cluster behind M31 demonstrates the utility of X-ray surveys for finding rich clusters of galaxies, even in directions of heavy optical extinction. C1 Los Alamos Natl Lab, NIS 2, Space & Remote Sci Grp, Los Alamos, NM 87545 USA. Russian Acad Sci, Space Res Inst, Moscow 117810, Russia. Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. Univ Calif Riverside, Inst Geophys & Planetary Phys, Riverside, CA 92521 USA. RP Los Alamos Natl Lab, NIS 2, Space & Remote Sci Grp, Los Alamos, NM 87545 USA. NR 32 TC 4 Z9 4 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD APR 20 PY 2006 VL 641 IS 2 BP 756 EP 762 DI 10.1086/500630 PN 1 PG 7 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 033AV UT WOS:000236819400011 ER PT J AU Rothschild, RE Wilms, J Tomsick, J Staubert, R Benlloch, S Collmar, W Madejski, G Deluit, S Khandrika, H AF Rothschild, RE Wilms, J Tomsick, J Staubert, R Benlloch, S Collmar, W Madejski, G Deluit, S Khandrika, H TI Integral and RXTE observations of Centaurus A SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies : individual (Cen A); X-rays : galaxies; X-rays : individual (Cen A) ID RAY-TIMING-EXPLORER; X-RAY; XMM-NEWTON; BLACK-HOLE; LINE; EMISSION; GALAXIES; NUCLEUS; VARIABILITY; PERFORMANCE AB INTEGRAL and RXTE performed three simultaneous observations of the nearby radio galaxy Centaurus A in 2003 March, 2004 January, and 2004 February with the goals of investigating the geometry and emission processes via the spectral/temporal variability of the X-ray/low-energy gamma-ray flux, and intercalibration of the INTEGRAL instruments with respect to those on RXTE. Cen A was detected by both sets of instruments from 3 to 240 keV. When combined with earlier archival RXTE results, we find the power-law continuum flux and the line-of-sight column depth varied independently by 60% between 2000 January and 2003 March. Including the three archival RXTE observations, the iron-line flux was essentially unchanging, and from this we conclude that the iron-line-emitting material is distant from the site of the continuum emission, and that the origin of the iron-line flux is still an open question. Taking X-ray spectral measurements from satellite missions since 1970 into account, we discover a variability in the column depth between 1.0 x 10(23) and 1.5 x 10(23) cm(-2) separated by approximately 20 yr, and suggest that variations in the edge of a warped accretion disk viewed nearly edge-on might be the cause. The INTEGRAL OSA 4.2 calibration of JEM-X, ISGRI, and SPI yields power-law indices consistent with the RXTE PCA and HEXTE values, but the indices derived from ISGRI alone are about 0.2 greater. Significant systematics are the limiting factor for INTEGRAL spectral parameter determination. C1 Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England. Inst Astron & Astrophys, D-72076 Tubingen, Germany. Max Planck Inst Extraterr Phys, D-85748 Garching, Germany. Stanford Linear Accelerator Ctr, GLAST Grp, Menlo Pk, CA 94025 USA. Ctr Etud Spatiale Rayonnements, F-31028 Toulouse 4, France. La Jolla High Sch, La Jolla, CA 92037 USA. Univ Calif San Diego, Ctr Astrophys & Space Sci, La Jolla, CA 92093 USA. RP Univ Calif Berkeley, Berkeley, CA 94720 USA. EM rrothschild@ucsd.edu; j.wilms@warwick.ac.uk; jtomsick@ucsd.edu; staubert@astro.uni-tuebingen.de; benlloch@astro.uni-tuebingen.de; wec@mpe.mpg.de; madejski@slac.stanford.edu; sandrine.deluit@cesr.fr; hkhandrika@berkeley.edu RI Wilms, Joern/C-8116-2013 OI Wilms, Joern/0000-0003-2065-5410 NR 47 TC 23 Z9 23 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD APR 20 PY 2006 VL 641 IS 2 BP 801 EP 821 DI 10.1086/500534 PN 1 PG 21 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 033AV UT WOS:000236819400016 ER PT J AU Dursi, LJ Timmes, FX AF Dursi, LJ Timmes, FX TI Local ignition in carbon-oxygen white dwarfs. I. One-zone ignition and spherical shock ignition of detonations SO ASTROPHYSICAL JOURNAL LA English DT Article DE hydrodynamics; methods : numerical; nuclear reactions, nucleosynthesis, abundances; supernovae : general; white dwarfs ID NUMERICAL SIMULATIONS; STELLAR HYDRODYNAMICS; SUPERNOVAE; FLAMES; WAVES; MODEL; CONSISTENCY; EXPLOSION; CURVATURE; ACCURACY AB The details of ignition of Type Ia supernovae remain fuzzy, despite the importance of this input for any large-scale model of the final explosion. Here, we begin a process of understanding the ignition of these hot spots by examining the burning of one zone of material, and then we investigate the ignition of a detonation due to rapid heating at single point. We numerically measure the ignition delay time for onset of burning in mixtures of degenerate material and provide fitting formulae for conditions of relevance in the Type Ia problem. Using the neon abundance as a proxy for the white dwarf progenitor's metallicity, we then find that ignition times can decrease by similar to 20% with the addition of even 5% of neon by mass. When temperature fluctuations that successfully kindle a region are very rare, such a reduction in ignition time can increase the probability of ignition by orders of magnitude. If the neon comes largely at the expense of carbon, a similar decrease in the ignition time can occur. We then consider the ignition of a detonation by an explosive energy input in one localized zone, for example, a Sedov blast wave leading to a shock-ignited detonation. Building on previous work on curved detonations, we confirm that surprisingly large inputs of energy are required to successfully launch a detonation, leading to required match heads of approximate to 4500 detonation thicknesses - tens of centimeters to hundreds of meters - which is orders of magnitude larger than naive considerations might suggest. This is a very difficult constraint to meet for some pictures of a deflagration-to-detonation transition, such as a Zel'dovich gradient mechanism ignition in the distributed burning regime. C1 Univ Toronto, Canadian Inst Theoret Astrophys, Toronto, ON M5S 3H8, Canada. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Univ Toronto, Canadian Inst Theoret Astrophys, 60 St George St, Toronto, ON M5S 3H8, Canada. EM ljdursi@cita.utoronto.ca; timmes@lanl.gov OI Dursi, Jonathan/0000-0002-4697-798X NR 36 TC 19 Z9 19 U1 0 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD APR 20 PY 2006 VL 641 IS 2 BP 1071 EP 1086 DI 10.1086/500638 PN 1 PG 16 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 033AV UT WOS:000236819400039 ER PT J AU Hartle, RE Sittler, EC Neubauer, FM Johnson, RE Smith, HT Crary, F McComas, DJ Young, DT Coates, AJ Simpson, D Bolton, S Reisenfeld, D Szego, K Berthelier, JJ Rymer, A Vilppola, J Steinberg, JT Andre, N AF Hartle, RE Sittler, EC Neubauer, FM Johnson, RE Smith, HT Crary, F McComas, DJ Young, DT Coates, AJ Simpson, D Bolton, S Reisenfeld, D Szego, K Berthelier, JJ Rymer, A Vilppola, J Steinberg, JT Andre, N TI Preliminary interpretation of Titan plasma interaction as observed by the Cassini Plasma Spectrometer: Comparisons with Voyager 1 SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID MAGNETIC-FIELD; ION; SATURN AB The Cassini Plasma Spectrometer (CAPS) instrument observed the plasma environment at Titan during the Cassini orbiter's TA encounter on October 26, 2004. Titan was in Saturn's magnetosphere during the Voyager 1 flyby and also during the TA encounter. CAPS measurements from this encounter are compared with measurements made by the Voyager 1 Plasma Science Instrument (PLS). The comparisons focus on the composition and nature of ambient and pickup ions. They lead to: A) the major ion components of Saturn's magnetosphere in the vicinity of Titan are H+, H-2(+) and O+/CH4+ ions; B) finite gyroradius effects are apparent in ambient O+ ions as the result of their absorption by Titan's extended atmosphere; C) the principal pickup ions are composed of H+, H-2(+), N+/CH2+, CH4+, and N-2(+); D) the pickup ions are in narrow energy ranges; and E) there is clear evidence of the slowing down of background ions due to pickup ion mass loading. C1 NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. Univ Cologne, Inst Geophys & Meteorol, D-50923 Cologne, Germany. Univ Virginia, Dept Engn, Charlottesville, VA 22904 USA. SW Res Inst, San Antonio, TX 78228 USA. Mullard Space Flight Ctr, Dorking RH5 6NT, Surrey, England. Jet Prop Lab, Pasadena, CA 91109 USA. Univ Montana, Dept Phys & Astron, Missoula, MT 59812 USA. KFKI RMKI, KFKI Res Inst Particle & Nucl Phys, H-1525 Budapest, Hungary. Ctr Etud Environm Terr & Planetaires, St Maur des Fosses, France. Univ Oulu, Dept Phys Sci, FIN-90014 Linnanmaa, Finland. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Ctr Etud Spatiale Rayonnements, F-31028 Toulouse, France. RP NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. EM richard.e.hartle@nasa.gov RI Coates, Andrew/C-2396-2008; Reisenfeld, Daniel/F-7614-2015; Smith, Howard/H-4662-2016 OI Coates, Andrew/0000-0002-6185-3125; Smith, Howard/0000-0003-3537-3360 NR 13 TC 32 Z9 32 U1 0 U2 2 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 EI 1944-8007 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD APR 20 PY 2006 VL 33 IS 8 AR L08201 DI 10.1029/2005GL024817 PG 5 WC Geosciences, Multidisciplinary SC Geology GA 039LV UT WOS:000237308100001 ER PT J AU Fornasiero, F Prausnitz, JM Radke, CJ AF Fornasiero, F Prausnitz, JM Radke, CJ TI Post-lens tear-film depletion due to evaporative dehydration of a soft contact lens SO JOURNAL OF MEMBRANE SCIENCE LA English DT Article DE soft contact lenses; unsteady-state diffusion model; in vivo evaporative dehydration; blinking; contact-lens adhesion ID SURFACE MECHANICAL-PROPERTIES; POLYMER-SOLVENT SYSTEMS; FREE-VOLUME THEORY; DIFFUSION-COEFFICIENTS; HYDROGEL LENSES; WATER TRANSPORT; CORNEAL DESICCATION; DRYNESS RATINGS; SELF-DIFFUSION; MOVEMENT AB For a soft-contact-lens (SCL) wearer, corneal health and comfort are strongly influenced by water transport through the polymeric materials used in lens fabrication. In particular, evaporative water loss at the anterior lens surface is a potential cause of contact-lens dehydration and of post-lens tear-film depletion, which in turn, may lead to discomfort, dryness syndrome, and/or lens adhesion. We present a solution-diffusion model for transport of water through soft-contact-lens materials to mimic evaporative dehydration from a contact lens during blinking and to access possible SCL adhesion to the corneal surface under a variety of environmental conditions (e.g., wind speed and relative humidity). To describe the water-transport process, we use an extended version of the Maxwell-Stefan multicomponent diffusion equation for species that differ starkly in size (i.e., water and the polymer matrix). To describe thermodynamic properties of the soft-contact-lens/water mixture, we use a modified Flory-Rehner theory for polymer solutions. The proposed transport model is applied to two typical SCL materials: a low-water-con tent (38 wt.%) polymacon SCL (SofLens (R) 38), and a high-water-content (70 wt.%) hilafilcon A SCL (SofLens (TM) One Day). We calculate that a SCL on the eye loses water within a few minutes from lens insertion until it reaches a periodic steady state, with an average water content a few percent lower than the initial saturated water content. When the external relative humidity is low and the wind speed is high, the periodic-steady net flux of water from the post-lens tear film (PoLTF) through the contact lens toward the environment is comparable to the supply of water to the PoLTF from the eye anterior chamber. Thus, PoLTF depletion may occur at these conditions, leading to undesired, reduced SCL on-eye movement or, perhaps, to SCL adhesion on the ocular surface. Also, our calculations show that, at the most dehydrating conditions, the high-water-content hilafilcon A lens is more prone to dehydration and PoLTF depletion than is the low-water-content polymacon lens with the same thickness. However, at the least dehydrating conditions this trend is reversed. Relative humidity, wind speed, and lens thickness significantly influence SCL dehydration. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Radke, CJ (reprint author), Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. EM radke@berkeley.edu RI Fornasiero, Francesco/I-3802-2012 NR 94 TC 18 Z9 18 U1 1 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0376-7388 J9 J MEMBRANE SCI JI J. Membr. Sci. PD APR 20 PY 2006 VL 275 IS 1-2 BP 229 EP 243 DI 10.1016/j.memsci.2005.09.047 PG 15 WC Engineering, Chemical; Polymer Science SC Engineering; Polymer Science GA 027ZP UT WOS:000236455200028 ER PT J AU Wang, XB Woo, HK Wang, LS Minofar, B Jungwirth, P AF Wang, XB Woo, HK Wang, LS Minofar, B Jungwirth, P TI Determination of the electron affinity of the acetyloxyl radical (CH3COO) by low-temperature anion photoelectron spectroscopy and ab initio calculations SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID TRANSITION-STATE SPECTROSCOPY; BOND-DISSOCIATION ENERGIES; CARBOXYL FREE-RADICALS; CHARGED ANIONS; PHOTODETACHMENT; FORMYLOXYL; HCO2; COMPUTATIONS; DYNAMICS; CH3O+CO AB The electronic structure and electron affinity of the acetyloxyl radical (CH3COO) were investigated by low-temperature anion photoelectron spectroscopy and A initio calculations. Photoelectron spectra of the acetate anion (CH3COO-) were obtained at two photon energies (355 and 266 nm) and under three different temperatures (300, 70, and 20 K) with use of a new low-temperature ion-trap photoelectron spectroscopy apparatus. In contrast to a featureless spectrum at 300 K, a well-resolved vibrational progression corresponding to the OCO bending mode was observed at low temperatures in the 355 nm spectrum, yielding an accurate electron affinity for the acetyloxyl radical as 3.250 +/- 0.010 eV. This experimental result is supported by ab initio calculations, which also indicate three low-lying electronic states observed in the 266 nm spectrum. The calculations suggest a 19 degrees decrease of the OCO angle upon detaching an electron from acetate, consistent with the vibrational progression observed experimentally. C1 Acad Sci Czech Republ, Inst Organ Chem & Biochem, CR-16610 Prague 6, Czech Republic. Ctr Complex Mol Syst & Biomol, CR-16610 Prague, Czech Republic. Washington State Univ, Dept Phys, Richland, WA 99354 USA. Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. RP Wang, LS (reprint author), Acad Sci Czech Republ, Inst Organ Chem & Biochem, Flemingovo Nam 2, CR-16610 Prague 6, Czech Republic. EM ls.wang@pnl.gov; pavel.jungwirth@uochb.cas.cz RI Minofar, Babak/I-4326-2012; Jungwirth, Pavel/D-9290-2011; Minofar, Babak/D-7361-2016 OI Jungwirth, Pavel/0000-0002-6892-3288; NR 34 TC 34 Z9 34 U1 5 U2 16 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD APR 20 PY 2006 VL 110 IS 15 BP 5047 EP 5050 DI 10.1021/jp060138p PG 4 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 035HP UT WOS:000236991900013 PM 16610823 ER PT J AU Watkins, LP Chang, HY Yang, H AF Watkins, LP Chang, HY Yang, H TI Quantitative single-molecule conformational distributions: A case study with poly-(L-proline) SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID RESONANCE ENERGY-TRANSFER; POLY-L-PROLINE; PHOTON ARRIVAL TRAJECTORIES; RANDOM POLYPEPTIDE CHAINS; FLUORESCENCE SPECTROSCOPY; STATISTICAL MECHANICS; SEGMENTAL DYNAMICS; INFORMATION THEORY; ORIENTATION FACTOR; KINETICS AB Precise measurement of the potential of mean force is necessary for a fundamental understanding of the dynamics and chemical reactivity of a biological macromolecule. The unique advantage provided by the recently developed constant-information approach to analyzing time-dependent single-molecule fluorescence measurements was used with maximum entropy deconvolution to create a procedure for the accurate determination of molecular conformational distributions, and analytical expressions for the errors in these distributions were derived. This new method was applied to a derivatized poly(L-proline) series, P(n)CG(3)K-(biotin) (n = 8, 12, 15, 18, and 24), using a modular, server-based single-triolecule spectrometer that is capable of registering photon arrival times with a continuous-wave excitation Source. To account for potential influence from the microscopic environment, factors that were calibrated and corrected molecule by molecule include background, cross-talk, and detection efficiency. For each single poly(L-proline) molecule, sharply peaked Forster type resonance energy transfer (FRET) efficiency and distance distributions were recovered, indicating a static end-to-end distance on the time scale of measurement. The experimental distances were compared with models of varying rigidity. The results suggest that the 23 A persistence length wormlike chain model derived from experiments with high molecular weight poly(L-proline) is applicable to short chains as well. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Watkins, LP (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. OI Yang, Haw/0000-0003-0268-6352 NR 70 TC 71 Z9 72 U1 3 U2 25 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD APR 20 PY 2006 VL 110 IS 15 BP 5191 EP 5203 DI 10.1021/jp055886d PG 13 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 035HP UT WOS:000236991900033 PM 16610843 ER PT J AU Scanlon, LG Balbuena, PB Zhang, Y Sandi, G Back, CK Feld, WA Mack, J Rottmayer, MA Riepenhoffl, JL AF Scanlon, LG Balbuena, PB Zhang, Y Sandi, G Back, CK Feld, WA Mack, J Rottmayer, MA Riepenhoffl, JL TI Investigation of corannulene for molecular hydrogen storage via computational chemistry and experimentation SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID WALLED CARBON NANOTUBES; PATH-INTEGRAL SIMULATIONS; ADSORPTION; GRAPHITE AB Molecular simulations for hydrogen physisorption with corannulene molecules arranged according to their crystal structure result in good agreement with the weight-percent hydrogen stored as determined experimentally employing a 3-g sample of highly crystalline corannulene at ambient temperatures and 72 bar of pressure. Calculated enthalpies of adsorption for corannulene/hydrogen molecular systems obtained from ab initio calculations which take into account electron correlation via second-order Moller-Plesset perturbation theory are in good agreement with literature experimental enthalpies of adsorption for activated carbons interacting with molecular hydrogen. Ab initio results also show that corannulene molecules arranged in a sandwich structure are important for approximately doubling the binding energy of corannulene interacting with molecular hydrogen through a cooperative interaction. To test the effects of finite temperatures and pressures, stack arrays were used as input for molecular dynamics simulations and indicate that physisorption mechanisms including van der Waals forces and dipole-induced dipole interactions may yield enhanced adsorption capacity in relation to other carbon-based materials. These results will be instrumental in identifying interlayer separations of an array of corannulene or related molecules that may provide a high weight percent of physisorbed hydrogen. C1 USAF, Res Lab, Electrochem & Thermal Sci Branch, Wright Patterson AFB, OH 45433 USA. Texas A&M Univ, Dept Chem Engn, College Stn, TX 77843 USA. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. Wright State Univ, Dept Chem, Dayton, OH 45435 USA. Univ Cincinnati, Dept Chem, Cincinnati, OH 45221 USA. IIT, Dept Environm Chem & Engn, Chicago, IL 60616 USA. RP Scanlon, LG (reprint author), USAF, Res Lab, Electrochem & Thermal Sci Branch, Wright Patterson AFB, OH 45433 USA. EM lawrence.scanlon@wpafb.af.mil; balbuena@tamu.edu NR 25 TC 37 Z9 37 U1 2 U2 13 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD APR 20 PY 2006 VL 110 IS 15 BP 7688 EP 7694 DI 10.1021/jp0574403 PG 7 WC Chemistry, Physical SC Chemistry GA 035HR UT WOS:000236992100016 PM 16610862 ER PT J AU Xu, K Zhuang, GRV Allen, JL Lee, U Zhang, SS Ross, PN Jow, TR AF Xu, K Zhuang, GRV Allen, JL Lee, U Zhang, SS Ross, PN Jow, TR TI Syntheses and characterization of lithium alkyl mono- and dicarbonates as components of surface films in Li-lon batteries SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID LIBOB-BASED ELECTROLYTES; CARBONATE SOLUTIONS; THERMAL-STABILITY; SALT ASSOCIATION; ION CELLS; GRAPHITE; SPECTROSCOPY; PROPYLENE; INTERFACE; ETHYLENE AB A homologous series of lithium alkyl mono- and dicarbonate salts was synthesized as model reference compounds for the frequently proposed components constituting the electrolyte/electrode interface in Li-ion batteries. The physicochernical characterization of these reference compounds in the bulk state using thermal analyses and X-ray photoelectron, nuclear magnetic resonance, and Fourier transform infrared spectroscopies establishes a reliable database of comparison for the studies on the surface chemistry of electrodes harvested from Li-ion cells. C1 USA, Res Lab, Electrochem Branch, Sensors & Electron Devices Directorate, Adelphi, MD 20783 USA. Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Xu, K (reprint author), USA, Res Lab, Electrochem Branch, Sensors & Electron Devices Directorate, Adelphi, MD 20783 USA. EM cxu@arl.army.mil RI Zhang, Sheng/A-4456-2012 OI Zhang, Sheng/0000-0003-4435-4110 NR 30 TC 61 Z9 61 U1 2 U2 33 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD APR 20 PY 2006 VL 110 IS 15 BP 7708 EP 7719 DI 10.1021/jp0601522 PG 12 WC Chemistry, Physical SC Chemistry GA 035HR UT WOS:000236992100019 PM 16610865 ER PT J AU Reboredo, FA Galli, G AF Reboredo, FA Galli, G TI Size and structure dependence of carbon monoxide chemisorption on cobalt clusters SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID NICKEL CLUSTERS; MAGNETIC-PROPERTIES; TIGHT-BINDING; ELECTRONIC-PROPERTIES; MOLECULAR-STRUCTURE; CO CHEMISORPTION; METAL-CLUSTERS; CO(0001); SURFACE; ADSORPTION AB We have carried Out a series of ab initio calculations to investigate changes in the structural and magnetic properties of pristine cobalt clusters upon CO chemisorption. Our results show that binding energies of CO to 13-55 atom (0.5-1.5 nm) cobalt nanoparticles and preferred chemisorption sites depend on the cluster structure (whether fcc or icosahedral), size, and surface coverage. In addition, we find a strong influence of CO on the magnetism of the cluster, leading to magnetic moments smaller than in the bulk, at variance with pristine Clusters which have magnetic moments larger than the bulk. Our findings suggest important changes in catalytic properties of cobalt at the nanoscale. Our theory suggests that at the nanoscale cluster size and surface coverage might control catalysis. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Reboredo, FA (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM reboredofa@ornl.gov RI Reboredo, Fernando/B-8391-2009 NR 42 TC 19 Z9 19 U1 2 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD APR 20 PY 2006 VL 110 IS 15 BP 7979 EP 7984 DI 10.1021/jp0562911 PG 6 WC Chemistry, Physical SC Chemistry GA 035HR UT WOS:000236992100051 PM 16610897 ER PT J AU Ozensoy, E Peden, CHF Szanyi, J AF Ozensoy, E Peden, CHF Szanyi, J TI Low temperature H2O and NO2 coadsorption on theta-Al2O3/NiAl(100) ultrathin films SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID NITROGEN-DIOXIDE; ADSORPTION STATES; AG(111) SURFACE; WATER; AU(111); NITRATE; OXYGEN; LAYERS; XPS; ICE AB The coadsorption of H2O and NO2 molecules on a well-ordered, ultrathin theta-Al2O3/NiAl(100) film surface was studied using temperature programmed desorption (TPD), infrared reflection absorption spectroscopy (IRAS), and X-ray photoelectron spectroscopy (XPS). For H2O and NO2 monolayers adsorbed separately on the theta-Al2O3/NiAl(100) surface, adsorption energies were estimated to be 44.8 and 36.6 kJ/mol, respectively. Coadsorption systems prepared by sequential deposition of NO2 and H2O revealed the existence of coverage and temperature-dependent adsorption regimes where H2O molecules and the surface NOx species (NO2/N(2)O(4)f/NO2-,NO3-) form segregated and/or mixed domains. Influence of the changes in the crystallinity of solid water (amorphous vs crystalline) on the coadsorption properties of the NO2/H2O/theta-Al2O3/NiAl(100) system is also discussed. C1 Pacific NW Natl Lab, Inst Interfacial Catalysis, Richland, WA 99352 USA. RP Szanyi, J (reprint author), Pacific NW Natl Lab, Inst Interfacial Catalysis, POB 999,MSIN K8-93, Richland, WA 99352 USA. EM janos.szanyi@pnl.gov OI Peden, Charles/0000-0001-6754-9928 NR 50 TC 23 Z9 23 U1 3 U2 16 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD APR 20 PY 2006 VL 110 IS 15 BP 8025 EP 8034 DI 10.1021/jp057534c PG 10 WC Chemistry, Physical SC Chemistry GA 035HR UT WOS:000236992100057 PM 16610903 ER PT J AU Ma, YZ Valkunas, L Dexheimer, SL Fleming, GR AF Ma, YZ Valkunas, L Dexheimer, SL Fleming, GR TI Ultrafast exciton dynamics in semiconducting single-walled carbon nanotubes SO MOLECULAR PHYSICS LA English DT Article ID LOW-DIMENSIONAL SYSTEMS; QUANTUM DOTS; ELECTRONIC-PROPERTIES; ABSORPTION; PHOTOLUMINESCENCE; SPECTROSCOPY; BIEXCITONS; ENERGIES; SPECTRA AB To define the origin of the electronic excited states of single-walled carbon nanotubes, femtosecond fluorescence up-conversion and frequency-resolved transient absorption measurements were used for selective excitation/probing of particular nanotubes in a micelle-dispersed preparation enriched with individual nanotubes. Analysis of the temporal and intensity profiles of the transient signals enable one to unambiguously identify the excitonic nature of elementary excitations in semiconducting nanotubes, and the predominant dynamical process as a remarkable manifestation of exciton-exciton annihilation. These studies convincingly support the conclusion that the longest wavelength electronic excitations are of excitonic origin. In addition, evidence is shown for bi-exciton formation in single walled nanotubes. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. Inst Phys, LT-02300 Vilnius, Lithuania. Vilnius State Univ, Fac Phys, Dept Theoret Phys, LT-10222 Vilnius, Lithuania. Washington State Univ, Dept Phys, Pullman, WA 99164 USA. RP Fleming, GR (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. EM GRFleming@lbl.gov RI Ma, Yingzhong/L-6261-2016 OI Ma, Yingzhong/0000-0002-8154-1006 NR 47 TC 17 Z9 17 U1 1 U2 13 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0026-8976 J9 MOL PHYS JI Mol. Phys. PD APR 20 PY 2006 VL 104 IS 8 BP 1179 EP 1189 DI 10.1080/00268970500525564 PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 037FF UT WOS:000237131400003 ER PT J AU Beran, GJO Head-Gordon, M AF Beran, GJO Head-Gordon, M TI The localizability of valence space electron-electron correlations in pair-based coupled cluster models SO MOLECULAR PHYSICS LA English DT Article DE local correlation; static correlation; coupled cluster theory ID PLESSET PERTURBATION-THEORY; GENERALIZED MOLLER-PLESSET; REFERENCE WAVE-FUNCTION; AB-INITIO CALCULATIONS; DOUBLES MODEL; COPE REARRANGEMENT; BASIS-SETS; ENERGIES; SINGLES; MOLECULES AB Inspired by the success of very restrictive local active space approaches like Generalized Valence Bond Perfect Pairing (GVB-PP) and Imperfect Pairing (IP), we investigate the localizability of valence correlation in the context of electron pair models. In particular, the role of two-center local excitations in local active space coupled cluster doubles models is examined in the context of a variety of chemical applications. The full two spatial center pairing model is found to recover the majority of the correlation effects missed by GVB-PP and IP, recovering up to 95% of the untruncated valence correlation energy, and could provide an inexpensive reference wave function for the treatment of additional electron-electron correlations. All of these models improve noticeably upon the Hartree-Fock wave function and can be computed for very large systems due to their only cubic computational cost. Their main weakness is a tendency to exhibit symmetry breaking in systems with multiple resonance structures. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Head-Gordon, M (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM mhg@cchem.berkeley.edu RI Beran, Gregory/B-8684-2011 OI Beran, Gregory/0000-0002-2229-2580 NR 48 TC 8 Z9 8 U1 0 U2 3 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0026-8976 J9 MOL PHYS JI Mol. Phys. PD APR 20 PY 2006 VL 104 IS 8 BP 1191 EP 1206 DI 10.1080/00268970600571377 PG 16 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 037FF UT WOS:000237131400004 ER PT J AU Vieregg, JR Tinoco, I AF Vieregg, JR Tinoco, I TI Modelling RNA folding under mechanical tension SO MOLECULAR PHYSICS LA English DT Article ID MASTER EQUATION APPROACH; DNA; PREDICTION; MOLECULES; BARRIERS; RIBOZYME; KINETICS; FORCE AB We investigate the thermodynamics and kinetics of RNA unfolding and refolding under mechanical tension. The hierarchical nature of RNA structure and the existence of thermodynamic parameters for base pair formation based on nearest-neighbour interactions allows modelling of sequence-dependent folding dynamics for any secondary structure. We calculate experimental observables such as the transition force for unfolding, the end-to-end distribution function and its variance, as well as kinetic information, for a representative RNA sequence and for a sequence containing two homopolymer segments: A - U and G - C. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Tinoco, I (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM INTinoco@lbl.gov RI Vieregg, Jeffrey/D-7046-2012 FU NIGMS NIH HHS [R37 GM010840, R01 GM010840, R01 GM010840-47, R01 GM010840-48] NR 22 TC 8 Z9 8 U1 0 U2 1 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0026-8976 J9 MOL PHYS JI Mol. Phys. PD APR 20 PY 2006 VL 104 IS 8 BP 1343 EP 1352 DI 10.1080/00268970500525986 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 037FF UT WOS:000237131400017 PM 16969426 ER PT J AU Yoshikuni, Y Ferrin, TE Keasling, JD AF Yoshikuni, Y Ferrin, TE Keasling, JD TI Designed divergent evolution of enzyme function SO NATURE LA English DT Article ID GAMMA-HUMULENE SYNTHASE; DELTA-SELINENE SYNTHASE; CONFORMATIONAL DIVERSITY; SESQUITERPENE SYNTHASES; CATALYTIC PROMISCUITY; BACTERIAL EXPRESSION; TRICHODIENE SYNTHASE; CRYSTAL-STRUCTURE; IN-VITRO; PROTEIN AB It is generally believed that proteins with promiscuous functions divergently evolved to acquire higher specificity and activity(1-5), and that this process was highly dependent on the ability of proteins to alter their functions with a small number of amino acid substitutions (plasticity)(6). The application of this theory of divergent molecular evolution to promiscuous enzymes may allow us to design enzymes with more specificity and higher activity. Many structural and biochemical analyses have identified the active or binding site residues important for functional plasticity (plasticity residues)(6-10). To understand how these residues contribute to molecular evolution, and thereby formulate a design methodology, plasticity residues were probed in the active site of the promiscuous sesquiterpene synthase gamma-humulene synthase(11,12). Identified plasticity residues were systematically recombined based on a mathematical model in order to construct novel terpene synthases, each catalysing the synthesis of one or a few very different sesquiterpenes. Here we present the construction of seven specific and active synthases that use different reaction pathways to produce the specific and very different products. Creation of these enzymes demonstrates the feasibility of exploiting the underlying evolvability of this scaffold, and provides evidence that rational approaches based on these ideas are useful for enzyme design. C1 Univ Calif Berkeley, UCSF UCB Joint Grad Grp Bioengn, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. Univ Calif Berkeley, Calif Inst Quantitat Biomed Res QB3, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Phys Biosci Div, Synthet Biol Dept, Berkeley, CA 94710 USA. Univ Calif San Francisco, Dept Pharmaceut Chem & Biopharmaceut Sci, San Francisco, CA 94143 USA. RP Keasling, JD (reprint author), Univ Calif Berkeley, UCSF UCB Joint Grad Grp Bioengn, Berkeley, CA 94720 USA. EM keasling@berkeley.edu RI Keasling, Jay/J-9162-2012; OI Keasling, Jay/0000-0003-4170-6088; Ferrin, Thomas/0000-0001-6227-0637 NR 30 TC 228 Z9 240 U1 4 U2 66 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 J9 NATURE JI Nature PD APR 20 PY 2006 VL 440 IS 7087 BP 1078 EP 1082 DI 10.1038/nature04607 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 034DL UT WOS:000236906000042 PM 16495946 ER PT J AU Aniol, KA Armstrong, DS Averett, T Benaoum, H Bertin, PY Burtin, E Cahoon, J Gates, GD Chang, CC Chao, YC Chen, JP Choi, SH Chudakov, E Craver, B Cusanno, F Decowski, P Deepa, D Ferdi, C Feuerbach, RJ Finn, JM Frullani, S Fuoti, K Garibaldi, F Gilman, R Glamazdin, A Gorbenko, V Grames, JM Hansknecht, J Higinbotham, DW Holmes, R Holmstrom, T Humensky, TB Ibrahim, H de Jager, CW Jiang, X Kaufman, LJ Kelleher, A Kolarkar, A Kowalski, S Kumar, KS Lambert, D LaViolette, P LeRose, J Lhuillier, D Liyanage, N Margaziotis, DJ Mazouz, M McCormick, K Meekins, DG Meziani, ZE Michaels, R Moffit, B Monaghan, P Munoz-Camacho, C Nanda, S Nelyubin, V Neyret, D Paschke, KD Poelker, M Pomatsalyuk, R Qiang, Y Reitz, B Roche, J Saha, A Singh, J Snyder, R Souder, PA Stutzman, M Subedi, R Suleiman, R Sulkosky, V Tobias, WA Urciuoli, GM Vacheret, A Voutier, E Wang, K Wilson, R Wojtsekhowski, B Zheng, X AF Aniol, KA Armstrong, DS Averett, T Benaoum, H Bertin, PY Burtin, E Cahoon, J Gates, GD Chang, CC Chao, YC Chen, JP Choi, SH Chudakov, E Craver, B Cusanno, F Decowski, P Deepa, D Ferdi, C Feuerbach, RJ Finn, JM Frullani, S Fuoti, K Garibaldi, F Gilman, R Glamazdin, A Gorbenko, V Grames, JM Hansknecht, J Higinbotham, DW Holmes, R Holmstrom, T Humensky, TB Ibrahim, H de Jager, CW Jiang, X Kaufman, LJ Kelleher, A Kolarkar, A Kowalski, S Kumar, KS Lambert, D LaViolette, P LeRose, J Lhuillier, D Liyanage, N Margaziotis, DJ Mazouz, M McCormick, K Meekins, DG Meziani, ZE Michaels, R Moffit, B Monaghan, P Munoz-Camacho, C Nanda, S Nelyubin, V Neyret, D Paschke, KD Poelker, M Pomatsalyuk, R Qiang, Y Reitz, B Roche, J Saha, A Singh, J Snyder, R Souder, PA Stutzman, M Subedi, R Suleiman, R Sulkosky, V Tobias, WA Urciuoli, GM Vacheret, A Voutier, E Wang, K Wilson, R Wojtsekhowski, B Zheng, X TI Constraints on the nucleon strange form factors at Q(2)similar to 0.1 GeV2 SO PHYSICS LETTERS B LA English DT Article ID ELECTRON-PROTON-SCATTERING; MAGNETIC-MOMENT; NEUTRAL-CURRENT AB We report the most precise measurement to date of a parity-violating asymmetry in elastic electron-proton scattering. The measurement was carried out with a beam energy of 3.03 GeV and a scattering angle = 6.0 degrees, with the result ApV = (- 1.14 +/- 0.24(stat) +/- 0.06(syst)) x 10(-6). From this we extract, at Q(2) = 0.099 GeV2, the strange form factor combination G(E)(s) + 0.080G(M)(s) = 0.030 +/- 0.025(stat) +/- 0.006(syst) +/- 0.012(FF) where the first two errors are experimental and the last error is due to the uncertainty in the neutron electromagnetic form factor. This result significantly improves current knowledge of G(E)(s) and G(M)(s) at Q(2) similar to 0.1 GeV2. A consistent picture emerges when several measurements at about the same Q(2) value are combined: G(E)(s) is consistent with zero while positive values are favored for G(M)(s), though G(M)(s), = G(E)(s) = 0 is compatible with the data at 95% C.L. (c) 2006 Elsevier B.V. All rights reserved. C1 Univ Massachusetts, Amherst, MA 01003 USA. Calif State Univ Los Angeles, Los Angeles, CA 90032 USA. Coll William & Mary, Williamsburg, VA 23187 USA. Syracuse Univ, Syracuse, NY 13244 USA. Univ Clermont Ferrand, CNRS, IN2P3, F-63177 Clermont Ferrand, France. CEA Saclay, DAPNIA, SPhN, F-91191 Gif Sur Yvette, France. Univ Virginia, Charlottesville, VA 22904 USA. Univ Maryland, College Pk, MD 20742 USA. Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. Temple Univ, Philadelphia, PA 19122 USA. Ist Nazl Fis Nucl, Sez San, I-00161 Rome, Italy. Smith Coll, Northampton, MA 01063 USA. Old Dominion Univ, Norfolk, VA 23508 USA. Rutgers State Univ, Piscataway, NJ 08855 USA. Kharkov Phys & Technol Inst, UA-310108 Kharkov, Ukraine. Univ Chicago, Chicago, IL 60637 USA. Univ Kentucky, Lexington, KY 40506 USA. MIT, Cambridge, MA 02139 USA. Lab Phys Subatom & Cosmol, F-38026 St Martin Dheres, France. Russian Acad Sci, St Petersburg Nucl Phys Inst, Gatchina 188350, Russia. Kent State Univ, Kent, OH 44242 USA. Harvard Univ, Cambridge, MA 02138 USA. Argonne Natl Lab, Argonne, IL 60439 USA. RP Paschke, KD (reprint author), Univ Massachusetts, Amherst, MA 01003 USA. EM paschke@jlab.org RI Averett, Todd/A-2969-2011; Singh, Jaideep/H-2346-2013; Higinbotham, Douglas/J-9394-2014; OI Singh, Jaideep/0000-0002-4810-4824; Higinbotham, Douglas/0000-0003-2758-6526; Kumar, Krishna/0000-0001-5318-4622 NR 26 TC 107 Z9 108 U1 3 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD APR 20 PY 2006 VL 635 IS 5-6 BP 275 EP 279 DI 10.1016/j.physletb.2006.03.011 PG 5 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 033BK UT WOS:000236821000007 ER PT J AU Ciafaloni, M Colferai, D Salam, GP Stasto, AM AF Ciafaloni, M Colferai, D Salam, GP Stasto, AM TI Minimal subtraction vs. physical factorisation schemes in small-x QCD SO PHYSICS LETTERS B LA English DT Article ID HIGH-ENERGY FACTORIZATION; QUARK-ANTIQUARK CONTRIBUTION; HEAVY FLAVOR PRODUCTION; TO-LEADING CORRECTIONS; REGGEON-GLUON VERTEX; BFKL EQUATION; MULTIGLUON AMPLITUDES; RADIATIVE-CORRECTIONS; ANOMALOUS DIMENSIONS; PERTURBATION-THEORY AB We investigate the relationship of "physical" parton densities defined by k-factorisation, to those in the minimal subtraction scheme, by comparing their small-x behaviour. We first summarize recent results on the above scheme change derived from the BFKL equation at NU level, and we then propose a simple extension to the renormalisation-group-improved (RGI) equation. In this way we are able the examine the difference between resummed gluon distributions in the Q(0) and MS schemes and also to show MS scheme resummed results for P-gg and approximate ones for P-qg. We find that, due to the stability of the RGI approach, small-x resummation effects are not much affected by the scheme-change in the gluon channel, while they are relatively more important for the quark-gluon mixing. (c) 2006 Elsevier B.V. All rights reserved. C1 Univ Florence, Dipartimento Fis, I-50019 Sesto Fiorentino, FI, Italy. Ist Nazl Fis Nucl, Sez Firenze, I-50019 Sesto Fiorentino, FI, Italy. Univ Paris 07, CNRS, UMR 7589, F-75005 Paris, France. Univ Paris 06, LPTHE, F-75252 Paris, France. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. H Niewodniczanski Inst Nucl Phys, PL-31342 Krakow, Poland. RP Colferai, D (reprint author), Univ Florence, Dipartimento Fis, I-50019 Sesto Fiorentino, FI, Italy. EM colferai@fi.infn.it OI Salam, Gavin/0000-0002-2655-4373 NR 51 TC 19 Z9 19 U1 1 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD APR 20 PY 2006 VL 635 IS 5-6 BP 320 EP 329 DI 10.1016/j.physletb.2006.03.014 PG 10 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 033BK UT WOS:000236821000015 ER PT J AU Soni, A Suprun, DA AF Soni, A Suprun, DA TI Determination of gamma from charmless B-+/- -> (MM +/-)-M-0 decays using U-spin SO PHYSICS LETTERS B LA English DT Article ID B-DECAYS; QCD FACTORIZATION; CP VIOLATION AB U-spin multiplet approach is applied to the full set of charmless hadronic B+/- -> (MM+/-)-M-0 decays for the purpose of precise extraction of the unitarity angle gamma. Each of the four data sets, (PP+/-)-P-0, (PV+/-)-V-0, (VP+/-)-P-0 and (VV+/-)-V-0 with P equivalent to pseudoscalar and V equivalent to vector, can be used to yield a precise value of gamma. The crucial advantage of this method over the common SU(3) symmetry based quark-diagrammatic approach is that no assumptions regarding relative sizes of topological decay amplitudes need to be made. As a result, this method avoids an uncontrollable theoretical uncertainty that is related to the neglect of some topological diagrams (e.g., exchange and annihilation graphs) in the SU(3) approach. Application of the U-spin approach to the current data yields: gamma = (54(-11)(+12))degrees. We find that improved measurements of phi pi(+/-) and (K) over bar K-*0(+/-) branching ratios would lead to appreciably better extraction of gamma. In this method, which is completely data driven, in a few years we should be able to obtain a model independent determination of gamma with an accuracy of O(few degrees). (c) 2006 Elsevier B.V. All rights reserved. C1 Brookhaven Natl Lab, High Energy Theory Grp, Upton, NY 11973 USA. RP Soni, A (reprint author), Brookhaven Natl Lab, High Energy Theory Grp, Upton, NY 11973 USA. EM soni@quark.phy.bnl.gov NR 37 TC 5 Z9 5 U1 1 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD APR 20 PY 2006 VL 635 IS 5-6 BP 330 EP 334 DI 10.1016/j.physletb.2006.02.063 PG 5 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 033BK UT WOS:000236821000016 ER PT J AU Bouree, JE Mahan, AH AF Bouree, JE Mahan, AH TI Third International Conference on Hot-Wire CVD (Cat-CVD) Process - Preface SO THIN SOLID FILMS LA English DT Editorial Material C1 Ecole Polytech, Phys Interfaces & Couches Minces Lab, F-91128 Palaiseau, France. Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Bouree, JE (reprint author), Ecole Polytech, Phys Interfaces & Couches Minces Lab, F-91128 Palaiseau, France. EM jean-eric.bouree@polytechnique.edu; harv_mahan@nrel.gov NR 0 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0040-6090 J9 THIN SOLID FILMS JI Thin Solid Films PD APR 20 PY 2006 VL 501 IS 1-2 BP 1 EP 2 DI 10.1016/j.tsf.2005.07.083 PG 2 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 021JN UT WOS:000235979600001 ER PT J AU Mahan, AH AF Mahan, AH TI An update on silicon deposition performed by hot wire CVD SO THIN SOLID FILMS LA English DT Article; Proceedings Paper CT 3rd International Conference on Hot-Wire CVD Process CY AUG 23-27, 2004 CL Utrecht Univ, Utrecht, NETHERLANDS HO Utrecht Univ DE hot wire; silicon germanium; microcrystalline silicon; protocrystalline silicon ID CHEMICAL-VAPOR-DEPOSITION; SUBSTRATE TEMPERATURES; FILAMENT AB Ail update and present status of hot wire CVD (HWCVD) in the area of silicon (Si) related materials deposition is given. By comparing research presentation topics for the last two MWCVD Conferences, trends are pointed Out as to the present research directions in Si related research. Such trends include increasing research efforts in microcrystalline-Si (pc-Si), both from materials and a solar cell device standpoint, and also in silicon nitride. At the same time, the number of presentations in devices aside from solar cells has declined, particularly in the area of thin film transistors. The latter is traced to the maturity of this research area using HWCVD. Additional observations are the number of significant research results obtained using lower filament temperatures, the increased use of 'exotic' sources to deposit Si based alloys, and the large number of new research groups joining the HWCVD community, as ail active or collaborative participant. Finally, research areas resulting in materials deposition and/or device fabrication where results are unique to HWCVD are highlighted. (c) 2005 Published by Elsevier B.V. C1 NREL, Golden, CO 80401 USA. RP Mahan, AH (reprint author), NREL, 1617 Cole Blvd, Golden, CO 80401 USA. EM harv_mahan@nrel.gov NR 15 TC 12 Z9 12 U1 1 U2 5 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0040-6090 J9 THIN SOLID FILMS JI Thin Solid Films PD APR 20 PY 2006 VL 501 IS 1-2 BP 3 EP 7 DI 10.1016/j.tsf.2005.07.086 PG 5 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 021JN UT WOS:000235979600002 ER PT J AU Xu, YQ Mahan, AH Gedvilas, LM Reedy, RC Branz, HM AF Xu, YQ Mahan, AH Gedvilas, LM Reedy, RC Branz, HM TI Deposition of photosensitive hydrogenated amorphous silicon-germanium films with a tantalum hot wire SO THIN SOLID FILMS LA English DT Article; Proceedings Paper CT 3rd International Conference on Hot-Wire CVD Process CY AUG 23-27, 2004 CL Utrecht Univ, Utrecht, NETHERLANDS HO Utrecht Univ DE amorphous silicon-germanium alloy; optical bandgap; Tauc bandgap; photo-to-dark conductivity ratio; photosensitivity; and photon absorption coefficient AB We Study the optical, electrical and structural properties of a-SiGe:H thin films deposited by hot-wire chemical vapor deposition (HWCVD). The best films are deposited with a Ta filament heated to 1750 degrees C and the substrate temperature held at 200 degrees C. For the same precursor gas ratio of GeH4 to SiH4, a lower filament temperature produces films with higher Ge incorporation than with a higher filament temperature. For Tauc band gaps between 1.22 and 1.30 eV, the photoconductivity and photosensitivity are significantly higher than for plasma-enhanced CVD a-SiGe:H films exhibiting the same band gap. The filament lifetime is much longer for a Ta filament than for a W filament at these operating temperatures. (c) 2005 Elsevier B.V. All rights reserved. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Xu, YQ (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM yueqin_xu@nrel.gov NR 12 TC 15 Z9 15 U1 0 U2 4 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0040-6090 J9 THIN SOLID FILMS JI Thin Solid Films PD APR 20 PY 2006 VL 501 IS 1-2 BP 198 EP 201 DI 10.1016/j.tsf.2005.07.171 PG 4 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 021JN UT WOS:000235979600048 ER PT J AU Dillon, AC Mahan, AH Deshpande, R Alleman, JL Blackburn, JL Parillia, PA Heben, MJ Engtrakul, C Gilbert, KEH Jones, KM To, R Lee, SH Lehman, JH AF Dillon, AC Mahan, AH Deshpande, R Alleman, JL Blackburn, JL Parillia, PA Heben, MJ Engtrakul, C Gilbert, KEH Jones, KM To, R Lee, SH Lehman, JH TI Hot-wire chemical vapor synthesis for a variety of nano-materials with novel applications SO THIN SOLID FILMS LA English DT Article; Proceedings Paper CT 3rd International Conference on Hot-Wire CVD Process CY AUG 23-27, 2004 CL Utrecht Univ, Utrecht, NETHERLANDS HO Utrecht Univ DE hot-wire chemical vapor deposition; carbon nanotubes; metal oxide nanorods ID CARBON NANOTUBES; DEPOSITION AB Hot-wire chemical vapor deposition (HWCVD) has been demonstrated as a simple economically scalable technique for the synthesis of a variety of nano-materials in an environmentally friendly manner. For example we have employed HWCVD for the continuous production of both carbon single- and multi-wall nanotubes (SWNTs and MWNTs). Unanticipated hydrogen storage on HWCVD-generated MWNTs has led insight into the adsorption mechanism of hydrogen on metallcarbon composites at near ambient temperatures that could be useful for developing a vehicular hydrogen storage system. Recent efforts have been focused on growing MWNT arrays on thin nickel films with a simple HWCVD process. New data suggests that these MWNT arrays could replace the gold black coatings currently used in pyroelectric detectors to accurately measure laser power. Finally, we have very recently employed HWCVD for the production of crystalline molybdenum and tungsten oxide nanotubes and nanorods. These metal oxide nanorods and nanotubes Could have applications in catalysis, batteries and electrochromic windows or as gas sensors. A summary of the techniques for growing these novel materials and their various potential applications is provided. (c) 2005 Elsevier B.V All rights reserved. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. Natl Inst Stand & Technol, Boulder, CO 80305 USA. RP Dillon, AC (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM anne_dillon@nrel.gov RI Lee, Sehee/A-5989-2011; Engtrakul, Chaiwat/H-5634-2011; Blackburn, Jeffrey/D-7344-2012 NR 13 TC 23 Z9 24 U1 1 U2 16 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0040-6090 J9 THIN SOLID FILMS JI Thin Solid Films PD APR 20 PY 2006 VL 501 IS 1-2 BP 216 EP 220 DI 10.1016/j.tsf.2005.07.182 PG 5 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 021JN UT WOS:000235979600052 ER PT J AU Deshpande, R Dillon, AC Mahan, AH Alleman, J Mitra, S AF Deshpande, R Dillon, AC Mahan, AH Alleman, J Mitra, S TI Hydrogen adsorption in single-walled and multi-walled carbon nanotubes grown in a hot-wire CVD (Cat-CVD) reactor SO THIN SOLID FILMS LA English DT Article; Proceedings Paper CT 3rd International Conference on Hot-Wire CVD Process CY AUG 23-27, 2004 CL Utrecht Univ, Utrecht, NETHERLANDS HO Utrecht Univ DE hot-wire deposition; nanotubes; hydrogen storage ID STORAGE AB We have employed hot-wire chemical vapor deposition (HWCVD) for the growth of single- and multi-walled carbon nanotubes (SWCNTs and MWCNTs). The reactor consisted of a quartz tube and two tungsten filaments. Often additional molybdenum wires were incorporated into the system serving as additional heat sources and possibly providing via evaporation an additional gas-phase catalyst. Transmission electron microscopy indicated the presence of both types of CNTs with diameters ranging from similar to 1-30 nm. Thermal desorption experiments showed the presence of the both physisorbed and chemisorbed hydrogen. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Tulsa, Dept Phys & Engn Phys, Tulsa, OK 74104 USA. Univ Tulsa, Dept Chem Engn, Tulsa, OK 74104 USA. Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Mitra, S (reprint author), Univ Tulsa, Dept Phys & Engn Phys, Tulsa, OK 74104 USA. EM saibal-mitra@utulsa.edu NR 13 TC 4 Z9 4 U1 0 U2 0 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0040-6090 J9 THIN SOLID FILMS JI Thin Solid Films PD APR 20 PY 2006 VL 501 IS 1-2 BP 224 EP 226 DI 10.1016/i.tsf.2005.07.189 PG 3 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 021JN UT WOS:000235979600054 ER PT J AU Wang, TH Iwaniczko, E Page, MR Levi, DH Yan, Y Branz, HM Wang, Q AF Wang, TH Iwaniczko, E Page, MR Levi, DH Yan, Y Branz, HM Wang, Q TI Effect of emitter deposition temperature on surface passivation in hot-wire chemical vapor deposited silicon heterojunction solar cells SO THIN SOLID FILMS LA English DT Article; Proceedings Paper CT 3rd International Conference on Hot-Wire CVD Process CY AUG 23-27, 2004 CL Utrecht Univ, Utrecht, NETHERLANDS HO Utrecht Univ DE silicon; heterojunction; solar cells; hot-wire CVD AB Low substrate temperature (< 150 degrees C) during initiation of amorphous silicon emitter deposition by hot-wire chemical vapor deposition is found to be crucial for reaching high open-circuit voltage (V-oc) in an amorphous/crystalline silicon (a-Si/c-Si) heterojunction solar cell. Low-temperature results in immediate a-Si deposition and a smooth interface to the c-Si substrate. The smooth heterojunction leads to effective passivation of the c-Si surface by the a-Si intrinsic layer through a much-reduced interface recombination velocity, and V-oc is consistently above 620 mV. We obtain a V-oc above 640 mV and a fill factor of 80% on Al-backed p-type Czochralski wafers with emitters deposited at temperatures below 135 degrees C. Energy conversion efficiencies of 14.8% and 15.7% are obtained on a polished p-type Czochralski silicon wafer and a polished p-type float-zone silicon wafer, respectively. Published by Elsevier B.V. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Wang, TH (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM tihu_wang@nrel.gov NR 11 TC 79 Z9 85 U1 0 U2 18 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0040-6090 J9 THIN SOLID FILMS JI Thin Solid Films PD APR 20 PY 2006 VL 501 IS 1-2 BP 284 EP 287 DI 10.1016/j.tsf.2005.07.196 PG 4 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 021JN UT WOS:000235979600068 ER PT J AU Mason, MS Richardson, CE Atwater, HA Ahrenkiel, RK AF Mason, MS Richardson, CE Atwater, HA Ahrenkiel, RK TI Microsecond minority carrier lifetimes in HWCVD-grown films and implications for thin film solar cells SO THIN SOLID FILMS LA English DT Article; Proceedings Paper CT 3rd International Conference on Hot-Wire CVD Process CY AUG 23-27, 2004 CL Utrecht Univ, Utrecht, NETHERLANDS HO Utrecht Univ DE hot-wire deposition; silicon; photoconductive decay; photovoltaics AB We determine the minority carrier lifetimes of nearly intrinsic Si films 1.5-15 mu m thick grown by HWCVD at 300 degrees C on Si (100) and large-grained polycrystalline templates formed by selective nucleation and solid-phase epitaxy (SNSPE) using resonant-coupled photoconductive decay (RCPCD). Although the microstructure of these films is mostly microcrystalline, minority carrier lifetimes for films on Si (100) range from 5.7 to 14.8 mu s while those for films on SNSPE templates range from 5.9 to 19.3 mu s. Residual nickel present in the SNSPE templates may contribute a recombination center but does not significantly decrease the lifetime of films grown on SNSPE templates, making the growth of epitaxial layers by HWCVD on SNSPE templates a viable design for thin-film photovoltaics. (c) 2005 Elsevier B.V. All rights reserved. C1 CALTECH, Thomas J Watson Lab Appl Phys, Pasadena, CA 91125 USA. Natl Renewable Energy Lab, Golden, CO USA. RP Mason, MS (reprint author), CALTECH, Thomas J Watson Lab Appl Phys, Pasadena, CA 91125 USA. EM maribeth@its.caltech.edu NR 6 TC 8 Z9 8 U1 0 U2 6 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0040-6090 J9 THIN SOLID FILMS JI Thin Solid Films PD APR 20 PY 2006 VL 501 IS 1-2 BP 288 EP 290 DI 10.1016/j.tsf.2005.07.197 PG 3 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 021JN UT WOS:000235979600069 ER PT J AU Fortmann, CM Mawyin, J Tonucci, RJ Mahan, AH AF Fortmann, CM Mawyin, J Tonucci, RJ Mahan, AH TI Photonic amorphous silicon device technology SO THIN SOLID FILMS LA English DT Article; Proceedings Paper CT 3rd International Conference on Hot-Wire CVD Process CY AUG 23-27, 2004 CL Utrecht Univ, Utrecht, NETHERLANDS HO Utrecht Univ DE photonic; hydrogen implantation; waveguides ID GAP AB Optically smooth hot-wire deposited films were characterized with respect to the photonic application by examination of the slab wave guiding of the room temperature bulk photoluminescence. Films displayed strong photo luminescence as well as strong slab wave guiding of the light to the edge. These properties are consistent with materials suitable for photonic engineering. Waveguide structures were prepared using previously described hydrogen implantation techniques and tested using novel methods. We report the first successful demonstration of refractive index engineered amorphous silicon devices. (c) 2005 Elsevier B.V. All rights reserved. C1 SUNY Stony Brook, Dept Appl Math, Stony Brook, NY 11794 USA. SUNY Stony Brook, Dept Mat Sci, Stony Brook, NY 11794 USA. USN, Res Lab, Washington, DC 20375 USA. Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Fortmann, CM (reprint author), SUNY Stony Brook, Dept Appl Math, Stony Brook, NY 11794 USA. EM fortmann@ams.sunysb.edu NR 7 TC 2 Z9 2 U1 0 U2 1 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0040-6090 J9 THIN SOLID FILMS JI Thin Solid Films PD APR 20 PY 2006 VL 501 IS 1-2 BP 350 EP 353 DI 10.1016/j.tsf.2005.07.149 PG 4 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 021JN UT WOS:000235979600086 ER PT J AU Gerung, H Boyle, TJ Tribby, LJ Bunge, SD Brinker, CJ Han, SM AF Gerung, H Boyle, TJ Tribby, LJ Bunge, SD Brinker, CJ Han, SM TI Solution synthesis of germanium nanowires using a Ge2+ alkoxide precursor SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID CHEMICAL-VAPOR-DEPOSITION; SEMICONDUCTOR NANOWIRES; BIVALENT GERMANIUM; GOLD NANOCRYSTALS; QUANTUM DOTS; CRYSTAL; ARRAYS; GROWTH; PHOTOLUMINESCENCE; NANOSTRUCTURES AB A simple solution synthesis of germanium (Ge-0) nanowires under mild conditions (< 400 degrees C and 1 atm) was demonstrated using germanium 2,6-dibutylphenoxide, Ge(DBP)(2) (1), as the precursor where DBP = 2,6-OC6H3(C(CH3)(3))(2). Compound 1, synthesized from Ge(NR2)(2) where R = SiMe3 and 2 equiv of DBP-H, was characterized as a mononuclear species by single-crystal X-ray diffraction. Dissolution of I in oleylamine, followed by rapid injection into a 1-octadecene solution heated to 300 degrees C under an atmosphere of Ar, led to the formation of Ge-0 nanowires. The Ge-0 nanowires were characterized by transmission electron microscopy (TEM), X-ray diffraction analysis, and Fourier transform infrared spectroscopy. These characterizations revealed that the nanowires are single crystalline in the cubic phase and coated with oleylamine surfactant. We also observed that the nanowire length (0.1-10 mu m) increases with increasing temperature (285-315 degrees C) and time (5-60 min). Two growth mechanisms are proposed based on the TEM images intermittently taken during the growth process as a function of time: (1) self-seeding mechanism where one of two overlapping nanowires serves as a seed, while the other continues to grow as a wire; and (2) self-assembly mechanism where an aggregate of small rods (< 50 nm in diameter) recrystallizes on the tip of a longer wire, extending its length. C1 Univ New Mexico, Dept Chem & Nucl Engn, Farris Engn Ctr 209, Albuquerque, NM 87131 USA. Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA. RP Gerung, H (reprint author), Univ New Mexico, Dept Chem & Nucl Engn, Farris Engn Ctr 209, Albuquerque, NM 87131 USA. EM meister@unm.edu FU NIBIB NIH HHS [1 R21 EB005365-01, R21 EB005365, R21 EB005365-01, R21 EB005365-02, R21 EB005365-03, R21 EB005365-04] NR 49 TC 69 Z9 70 U1 1 U2 22 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD APR 19 PY 2006 VL 128 IS 15 BP 5244 EP 5250 DI 10.1021/ja058524s PG 7 WC Chemistry, Multidisciplinary SC Chemistry GA 034GN UT WOS:000236917200057 PM 16608360 ER PT J AU Li, WG Bailey, JA Wang, HL AF Li, WG Bailey, JA Wang, HL TI Toward optimizing synthesis of nanostructured chiral polyaniline SO POLYMER LA English DT Article DE nanofiber; polyaniline; oligomer ID NANOFIBERS; POLYMERIZATION; NANOCOMPOSITES; OLIGOANILINES; ANILINE; ACID AB We report here detailed investigation into optimizing the synthesis of chiral polyaniline nanotibers using an oligomer-assisted route. The effect of temperature, monomer concentration, nature of oligomer, and the rate of oxidant addition on the optical properties of the PANI nanofibers have been carefully determined. Our results indicate that the highest chirality is achieved under conditions that promote interaction of the chiral acid with the growing polymer chain. These chiral polyaniline nanofibers are thermally stable up to 90 degrees C and are found to be stable against repeated doping-dedoping cycles. The as-synthesized nanolibers are partially crystalline regardless of their chirality. This partial crystallinity may be responsible for their chemical and thermal stability. (c) 2006 Elsevier Ltd. All rights reserved. C1 Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Wang, HL (reprint author), Los Alamos Natl Lab, Div Chem, MS J586,C-PCS, Los Alamos, NM 87545 USA. EM hwang@lanl.gov NR 20 TC 17 Z9 18 U1 0 U2 20 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0032-3861 J9 POLYMER JI Polymer PD APR 19 PY 2006 VL 47 IS 9 BP 3112 EP 3118 DI 10.1016/j.polymer.2006.01.070 PG 7 WC Polymer Science SC Polymer Science GA 045WO UT WOS:000237773600023 ER PT J AU Wittwer, JW Baker, MS Howell, LL AF Wittwer, JW Baker, MS Howell, LL TI Simulation, measurement, and asymmetric buckling of thermal microactuators SO SENSORS AND ACTUATORS A-PHYSICAL LA English DT Article DE thermal microactuators; microforce measurement; MEMS simulation; asymmetric buckling ID BEAM ELECTROTHERMAL ACTUATORS AB Predicting the force capabilities of thermal microactuators is a key issue when designing to meet specific size and power requirements. This paper uses simulation and experimental measurements to characterize the force capabilities of chevron-shaped thermal in-plane microactuators. Force measurements are obtained using a novel dual stage in situ force gauge that performs the functions of both a fixed load spring and a movable force gauge. Results show that a significant decrease in performance can occur for some designs due to higher-order asymmetric buckling, which may be caused by an offset load or process variations. Nonlinear finite element models are used to simulate the behavior, provide predictions of the force output capability, and develop design rules for mitigating the effect of asymmetric buckling. (c) 2006 Elsevier B.V. All rights reserved. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Brigham Young Univ, Dept Engn Mech, Provo, UT 84602 USA. RP Howell, LL (reprint author), Sandia Natl Labs, POB 5800,MS1310, Albuquerque, NM 87185 USA. EM lhowell@et.byu.edu RI Howell, Larry/A-6828-2008 OI Howell, Larry/0000-0001-8132-8822 NR 23 TC 22 Z9 23 U1 0 U2 5 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0924-4247 J9 SENSOR ACTUAT A-PHYS JI Sens. Actuator A-Phys. PD APR 19 PY 2006 VL 128 IS 2 BP 395 EP 401 DI 10.1016/j.sna.2006.02.014 PG 7 WC Engineering, Electrical & Electronic; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA 034KZ UT WOS:000236929200024 ER PT J AU Rabatic, BM Dimitrijevic, NM Cook, RE Saponjic, ZV Rajh, T AF Rabatic, BM Dimitrijevic, NM Cook, RE Saponjic, ZV Rajh, T TI Spatially confined corner defects induce chemical functionality of TiO2 nanorods SO ADVANCED MATERIALS LA English DT Article ID NANOPARTICLES; ANATASE; NANOCRYSTALS; BINDING; AVIDIN AB The atomic structure of anisotropic titanium dioxide nanoparticles is characterized by HRTEM to identify coordination defects at the tip surfaces of the nanorods (see figure). At the tip regions of the nanoparticles, the titanium metal-metal atom spacings extend between the (001.) planes and demonstrate site-specific chemical reactivity towards surface modifiers. The observed reactivity of the nanorod tip is reminiscent of selectivity found in organic and biological self-organizing systems. C1 Argonne Natl Lab, Div Chem, Ctr Nanoscale Mat, Argonne, IL 60439 USA. Argonne Natl Lab, Div Sci Mat, Argonne, IL 60439 USA. RP Rajh, T (reprint author), Argonne Natl Lab, Div Chem, Ctr Nanoscale Mat, Argonne, IL 60439 USA. EM rajh@anl.gov NR 28 TC 39 Z9 39 U1 1 U2 22 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0935-9648 J9 ADV MATER JI Adv. Mater. PD APR 18 PY 2006 VL 18 IS 8 BP 1033 EP + DI 10.1002/adma.200500988 PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 040II UT WOS:000237371800011 ER PT J AU Yan, P Xiong, YJ Chen, BW Negash, S Squier, TC Mayer, MU AF Yan, P Xiong, YJ Chen, BW Negash, S Squier, TC Mayer, MU TI Fluorophore-assisted light inactivation of calmodulin involves singlet-oxygen mediated cross-linking and methionine oxidation SO BIOCHEMISTRY LA English DT Article ID MEMBRANE CA-ATPASE; NITRIC-OXIDE SYNTHASE; LASER INACTIVATION; OXIDIZED CALMODULIN; SULFOXIDE REDUCTASE; MOLECULAR RECOGNITION; DEPENDENT ACTIVATION; OPPOSING DOMAINS; PROTEIN FUNCTION; PEPTIDE COMPLEX AB Fluorophore-assisted light inactivation (FALI) permits the targeted inactivation of tagged proteins and, when used with cell-permeable multiuse affinity probes (MAPs), offers important advantages in identifying physiological function, because targeted protein inactivation is possible with spatial and temporal control. However, reliable applications of FALI, also known as chromophore-assisted light inactivation (CALI) with fluorescein derivatives, have been limited by lack of mechanistic information regarding target protein sensitivity. To permit the rational inactivation of targeted proteins, we have identified the oxidizing species and the susceptibility of specific amino acids to modification using the calcium regulatory protein calmodulin (CaM) that, like many essential proteins, regulates signal transduction through the reversible association with a large number of target proteins. Following the covalent and rigid attachment of 4',5'-bis(1,3,2-dithioarsolan-2-yl)fluorescein (RASH) to helix A, we have identified light-dependent oxidative modifications of endogenous methionines to their corresponding methionine sulfoxides. Initial rates of methionine oxidation correlate with surface accessibility and are insensitive to the distance between the bound fluorophore and individual methionines, which vary between similar to 7 and 40 angstrom. In addition, we observed a loss of histidines, as well as zero-length cross-linking with binding partners corresponding to the CaM-binding sites of smooth myosin light chain kinase and ryanodine receptor. Our results provide a rationale for proteomic screens using FALI to inhibit the function of many signaling proteins, which, like CaM, commonly present methionines at binding interfaces. C1 Pacific NW Natl Lab, Cell Biol & Biochem Grp, Div Biol Sci, Richland, WA 99352 USA. RP Mayer, MU (reprint author), Pacific NW Natl Lab, Cell Biol & Biochem Grp, Div Biol Sci, POB 999,P7-56, Richland, WA 99352 USA. EM Uljana.Mayer@pnl.gov RI Xiong, Yijia/C-1341-2011 NR 64 TC 37 Z9 40 U1 1 U2 8 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 J9 BIOCHEMISTRY-US JI Biochemistry PD APR 18 PY 2006 VL 45 IS 15 BP 4736 EP 4748 DI 10.1021/bi052395a PG 13 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 034TE UT WOS:000236952700004 PM 16605242 ER PT J AU Xu, Z Devlin, KI Ford, MG Nix, JC Qin, J Misra, S AF Xu, Z Devlin, KI Ford, MG Nix, JC Qin, J Misra, S TI Structure and interactions of the helical and U-box domains of CHIP, the C terminus of HSP70 interacting protein SO BIOCHEMISTRY LA English DT Article ID E3 UBIQUITIN LIGASE; HEAT-SHOCK PROTEINS; QUALITY-CONTROL; PROTEASOMAL DEGRADATION; CARBOXYL-TERMINUS; MOLECULAR CHAPERONES; CONJUGATING ENZYMES; UBIQUITYLATION; COMPLEX; FAMILY AB The heat-shock proteins Hsp70 and Hsp90 play a crucial role in regulating protein quality control both by refolding and by preventing the aggregation of misfolded proteins. It has recently been shown that Hsp70 and Hsp90 act not only in protein refolding but also cooperate with the C terminus of Hsp70 interacting protein (CHIP), a multidomain ubiquitin ligase, to mediate the degradation of unfolded proteins. We present the crystal structure of the helical linker domain and U-box domain of zebrafish CHIP (DrCHIP-HU). The structure of DrCHIP-HU shows a symmetric homodimer. The conformation of the helical linker domains and the relative positions of the helical and U-box domains differ substantially in DrCHIP-HU from those in a recently published structure of an asymmetric dimer of mammalian (mouse) CHIP. We used an in vitro ubiquitination assay to identify residues, located on two long loops and a central alpha helix of the CHIP U-box domain, that are important for interacting with the ubiquitin-conjugating enzyme UbcH5b. In addition, we used NMR spectroscopy to define a complementary interaction surface located on the N-terminal alpha helix and the L4 and L7 loops of UbcH5b. Our results provide insights into conformational variability in the domain arrangement of CHIP and into U-box-mediated recruitment of UbcH5b for the ubiquitination of Hsp70 and Hsp90 substrates. C1 Cleveland Clin Fdn, Dept Mol Cardiol, Cleveland, OH 44195 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Mol Biol Consortium, Adv Light Source Beamline 4 2 2, Berkeley, CA 94720 USA. RP Misra, S (reprint author), Cleveland Clin Fdn, Dept Mol Cardiol, 9500 Euclid Ave, Cleveland, OH 44195 USA. EM misriis@ccf.org OI Misra, Saurav/0000-0002-1385-8554 NR 73 TC 32 Z9 33 U1 0 U2 3 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 J9 BIOCHEMISTRY-US JI Biochemistry PD APR 18 PY 2006 VL 45 IS 15 BP 4749 EP 4759 DI 10.1021/bi0601508 PG 11 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 034TE UT WOS:000236952700005 PM 16605243 ER PT J AU Sanghani, PC Davis, WI Zhai, LM Robinson, H AF Sanghani, PC Davis, WI Zhai, LM Robinson, H TI Structure-function relationships in human glutathione-dependent formaldehyde dehydrogenase. role of Glu-67 and Arg-368 in the catalytic mechanism SO BIOCHEMISTRY LA English DT Article ID LIVER ALCOHOL-DEHYDROGENASE; S-FORMYLGLUTATHIONE HYDROLASE; NICOTINAMIDE BINDING-SITE; THERMOANAEROBACTER-BROCKII; CRYSTAL-STRUCTURE; TERNARY COMPLEX; ZINC ENZYMES; RAT; PURIFICATION; SPECIFICITY AB The active-site zinc in human glutathione-dependent formaldehyde dehydrogenase (FDH) undergoes coenzyme-induced displacement and transient coordination to a highly conserved glutamate residue (Glu-67) during the catalytic cycle. The role of this transient coordination of the active-site zinc to Glu-67 in the FDH catalytic cycle and the associated coenzyme interactions were investigated by studying enzymes in which Glu-67 and Arg-368 were substituted with Leu. Structures of FDH-adenosine 5'-diphosphate ribose (ADP-ribose) and E67L center dot NAD(H) binary complexes were determined. Steady-state kinetics, isotope effects, and presteady-state analysis of the E67L enzyme show that Glu-67 is critical for capturing the substrates for catalysis. The catalytic efficiency (V/K-m) of the E67L enzyme in reactions involving S-nitrosoglutathione (GSNO), S-hydroxymethylglutathione (HMGSH) and 12-hydroxydodecanoic acid (12-HDDA) were 25 000-, 3000-, and 180-fold lower, respectively, than for the wild-type enzyme. The large decrease in the efficiency of capturing GSNO and HMGSH by the E67L enzyme results mainly because of the impaired binding of these substrates to the Mutant enzyme. In the case of 12-HDDA, a decrease in the rate of hydride transfer is the major factor responsible for the reduction in the efficiency of its capture for catalysis by the E67L enzyme. Binding of the coenzyme is not affected by the Glu-67 substitution. A partial displacement of the active-site zinc in the FDH-ADP-ribose binary complex indicates that the disruption of the interaction between Glu-67 and Arg-368 is involved in the displacement of active-site zinc. Kinetic studies with the R368L enzyme show that the predominant role of Arg-368 is in the binding of the coenzyme. An isomerization of the ternary complex before hydride transfer is detected in the kinetic pathway of HMGSH. Steps involved in the binding of the coenzyme to the FDH active site are also discerned from the unique conformation of the coenzyme in one of the subunits of the E67L center dot NAD(H) binary complex. C1 Indiana Univ, Sch Med, Dept Biochem & Mol Biol, Indianapolis, IN 46202 USA. Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Sanghani, PC (reprint author), Indiana Univ, Sch Med, Dept Biochem & Mol Biol, L3-316,1345 W 16th St, Indianapolis, IN 46202 USA. EM psanghan@iupui.edu NR 31 TC 16 Z9 16 U1 1 U2 6 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 J9 BIOCHEMISTRY-US JI Biochemistry PD APR 18 PY 2006 VL 45 IS 15 BP 4819 EP 4830 DI 10.1021/bi052554q PG 12 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 034TE UT WOS:000236952700012 PM 16605250 ER PT J AU Fridlyand, J Snijders, AM Ylstra, B Li, H Olshen, A Segraves, R Dairkee, S Tokuyasu, T Ljung, BM Jain, AN McLennan, J Ziegler, J Chin, K Devries, S Feiler, H Gray, JW Waldman, F Pinkel, D Albertson, DG AF Fridlyand, J Snijders, AM Ylstra, B Li, H Olshen, A Segraves, R Dairkee, S Tokuyasu, T Ljung, BM Jain, AN McLennan, J Ziegler, J Chin, K Devries, S Feiler, H Gray, JW Waldman, F Pinkel, D Albertson, DG TI Breast tumor copy number aberration phenotypes and genomic instability SO BMC CANCER LA English DT Article ID HIGH-RESOLUTION ANALYSIS; CELL-CYCLE PROGRESSION; DNA-DAMAGE RESPONSE; GENES; BRCA1; HYBRIDIZATION; EXPRESSION; CHECKPOINT; CANCER; E2F AB Background: Genomic DNA copy number aberrations are frequent in solid tumors, although the underlying causes of chromosomal instability in tumors remain obscure. Genes likely to have genomic instability phenotypes when mutated ( e. g. those involved in mitosis, replication, repair, and telomeres) are rarely mutated in chromosomally unstable sporadic tumors, even though such mutations are associated with some heritable cancer prone syndromes. Methods: We applied array comparative genomic hybridization (CGH) to the analysis of breast tumors. The variation in the levels of genomic instability amongst tumors prompted us to investigate whether alterations in processes/genes involved in maintenance and/or manipulation of the genome were associated with particular types of genomic instability. Results: We discriminated three breast tumor subtypes based on genomic DNA copy number alterations. The subtypes varied with respect to level of genomic instability. We find that shorter telomeres and altered telomere related gene expression are associated with amplification, implicating telomere attrition as a promoter of this type of aberration in breast cancer. On the other hand, the numbers of chromosomal alterations, particularly low level changes, are associated with altered expression of genes in other functional classes (mitosis, cell cycle, DNA replication and repair). Further, although loss of function instability phenotypes have been demonstrated for many of the genes in model systems, we observed enhanced expression of most genes in tumors, indicating that over expression, rather than deficiency underlies instability. Conclusion: Many of the genes associated with higher frequency of copy number aberrations are direct targets of E2F, supporting the hypothesis that deregulation of the Rb pathway is a major contributor to chromosomal instability in breast tumors. These observations are consistent with failure to find mutations in sporadic tumors in genes that have roles in maintenance or manipulation of the genome. C1 Univ Calif San Francisco, Ctr Comprehens Canc, San Francisco, CA 94143 USA. Univ Calif San Francisco, Dept Epidemiol & Biostat, San Francisco, CA 94143 USA. Univ Calif San Francisco, Canc Res Inst, San Francisco, CA 94143 USA. VUMC Univ Med Ctr, Micro Array Core Facil, NL-1081 BT Amsterdam, Netherlands. Mem Sloan Kettering Canc Ctr, Dept Epidemiol & Biostat, New York, NY 10021 USA. Univ Calif San Francisco, Dept Lab Med, San Francisco, CA 94143 USA. Calif Pacific Med Ctr, Geraldine Brush Canc Res Inst, San Francisco, CA 94115 USA. Univ Calif San Francisco, Dept Pathol, San Francisco, CA USA. Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA USA. RP Albertson, DG (reprint author), Univ Calif San Francisco, Ctr Comprehens Canc, San Francisco, CA 94143 USA. EM fridlyand@cc.ucsf.edu; snijders@cc.ucsf.edu; b.ylstra@vumc.nl; hli@cc.ucsf.edu; olshena@mskcc.org; segraves@cc.ucsf.edu; shanaz@cooper.cpmc.org; tokuyasu@cc.ucsf.edu; britt-marie.ljung@ucsf.edu; ajain@cc.ucsf.edu; jmclennan2@cc.ucsf.edu; jziegler@cc.ucsf.edu; kchin@cc.ucsf.edu; devries@cc.ucsf.edu; HSFeiler@lbl.gov; jwgray@lbl.gov; waldman@cc.ucsf.edu; Pinkel@cc.ucsf.edu; albertson@cc.ucsf.edu RI Dairkee, Shanaz/D-6743-2012; Ylstra, Bauke/D-2906-2012 OI Ylstra, Bauke/0000-0001-9479-3010 FU NCI NIH HHS [R01 CA090421, CA101359, CA58207, CA78913, CA90421, P50 CA058207, R01 CA101359] NR 48 TC 189 Z9 190 U1 1 U2 4 PU BIOMED CENTRAL LTD PI LONDON PA MIDDLESEX HOUSE, 34-42 CLEVELAND ST, LONDON W1T 4LB, ENGLAND SN 1471-2407 J9 BMC CANCER JI BMC Cancer PD APR 18 PY 2006 VL 6 AR 96 DI 10.1186/1471-2407-6-96 PG 13 WC Oncology SC Oncology GA 041AF UT WOS:000237424300001 PM 16620391 ER PT J AU Mowery, DM Harris, DJ Schmidt-Rohr, K AF Mowery, DM Harris, DJ Schmidt-Rohr, K TI Characterization of a major fraction of disordered all-trans chains in cold-drawn high-density polyethylene by solid-state NMR SO MACROMOLECULES LA English DT Article ID ENVIRONMENTAL-STRESS CRACKING; NUCLEAR-MAGNETIC-RESONANCE; HIGH-RESOLUTION NMR; C-13 NMR; RAMAN-SPECTROSCOPY; GEL-SPUN; CRYSTALLINE POLYETHYLENE; PLASTIC-DEFORMATION; STRUCTURAL-ANALYSIS; MODEL MATERIAL AB In cold-drawn, necked high-density polyethylene, solid-state nuclear magnetic resonance (NMR) has identified a major fraction of chain segments intermediate to the ordered crystalline and the almost isotropic amorphous phases. This partially mobile and disordered all-trans fraction in the strain-hardened sample contains 38 +/- 6% of all chain segments in the bulk. Thus, it represents the second largest component in the system, ahead of the disordered gauche-containing or amorphous (17 +/- 4%) and the monoclinic crystalline (4 +/- 2%) phases. A series of one- and two-dimensional NMR experiments, several of which make use of an "inverse C-13 T-1 relaxation time filter" for selective observation of the intermediate-component signals, show the intermediate component (or components) to consist of all-trans chains with disordered packing. While the crystalline component has a standard deviation of the chain axis from the draw direction of 1 degrees, the intermediate components exhibit an similar to 8 degrees spread of chain-axis orientations from the draw axis. The chains in the intermediate components undergo fast rotational motions around their axes, with motional amplitudes of ca. 20 degrees. C1 Iowa State Univ, Dept Chem, Ames, IA 50011 USA. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Univ Massachusetts, Dept Polymer Sci & Engn & Mat Res Sci, Amherst, MA 01003 USA. Univ Massachusetts, Ctr Engn, Amherst, MA 01003 USA. RP Schmidt-Rohr, K (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM dmmower@sandia.gov; douglas.harris@cytec.com; srohr@iastate.edu NR 56 TC 22 Z9 23 U1 4 U2 16 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0024-9297 J9 MACROMOLECULES JI Macromolecules PD APR 18 PY 2006 VL 39 IS 8 BP 2856 EP 2865 DI 10.1021/ma0513517 PG 10 WC Polymer Science SC Polymer Science GA 035JE UT WOS:000236996200022 ER PT J AU Wada, M Nishiyama, Y Langan, P AF Wada, M Nishiyama, Y Langan, P TI X-ray structure of ammonia-cellulose I: New insights into the conversion of cellulose I to cellulose III SO MACROMOLECULES LA English DT Article ID NEUTRON FIBER DIFFRACTION; HYDROGEN-BONDING SYSTEM; C-13 NMR-SPECTRUM; CRYSTAL-STRUCTURE; NATIVE CELLULOSE; LIQUID-AMMONIA; ELECTRON-DIFFRACTION; COMPLETE ASSIGNMENT; NONAQUEOUS SYSTEMS; HIGH-TEMPERATURES AB A supercritical ammonia treatment has been used to trap an ammonia-cellulose complex during the conversion of cellulose I to cellulose III1. The crystal and molecular structure of this complex, designated ammonia-cellulose I, has been determined by using X-ray fiber diffraction data (space group P2(1): a = 4.47 angstrom b = 8.81 angstrom, c = 10.34 angstrom, gamma = 92.7 degrees). Although the existence of ammonia-cellulose I has been known for some time, this is the first report of its crystal structure. A one-chain monoclinic unit cell has an asymmetric unit that contains only one glucosyl residue and one ammonia molecule. The ammonia molecule acts as a bridge between hydrogen-bonded sheets, forming extended chains of cooperative hydrogen bonds. The sheets are similar to those found in cellulose III,, with O2...O6 intrasheet hydrogen bonds and the gt conformation of the hydroxymethyl group providing potential bifurcated O3.. O5 and O3... O6 intrachain hydrogen bonds. This new structure provides group providing potential bifurcated O3 a number of insights into the structural transition pathway followed during the conversion of cellulose I to cellulose IIIi. C1 Univ Tokyo, Grad Sch Agr & Life Sci, Dept Biomat Sci, Tokyo 1138657, Japan. Univ Grenoble 1, CNRS, Ctr Rech Macromol Vegetales, F-38041 Grenoble 9, France. Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. RP Langan, P (reprint author), Univ Tokyo, Grad Sch Agr & Life Sci, Dept Biomat Sci, Tokyo 1138657, Japan. EM langan_paul@lanl.gov RI Nishiyama, Yoshiharu/A-3492-2012; Langan, Paul/N-5237-2015 OI Nishiyama, Yoshiharu/0000-0003-4069-2307; Langan, Paul/0000-0002-0247-3122 NR 49 TC 55 Z9 58 U1 2 U2 32 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0024-9297 J9 MACROMOLECULES JI Macromolecules PD APR 18 PY 2006 VL 39 IS 8 BP 2947 EP 2952 DI 10.1021/ma060228s PG 6 WC Polymer Science SC Polymer Science GA 035JE UT WOS:000236996200031 ER PT J AU Frolov, BK Krasheninnikov, SI Kingham, RJ Edwards, J AF Frolov, BK Krasheninnikov, SI Kingham, RJ Edwards, J TI Heat flux calculation in the semi-collisionless regime for substantial temperature variations including magnetic field SO NEW JOURNAL OF PHYSICS LA English DT Article ID NONLOCAL ELECTRON-TRANSPORT; LASER-PRODUCED PLASMAS; CONDUCTION; IGNITION; MODEL; GAIN AB In the first part of the paper, we extend the hydrodynamic approach to improve the accuracy of heat transport calculations without a magnetic field. A new parameter and the corresponding evolution equation are introduced into the regular hydrodynamic model to describe the evolution of the electron distribution tail. The self-consistent E-field is found from the zero current condition. The resulting model is relatively easy to implement and shows a good agreement with kinetic simulations for up to k lambda(ei) < 0.3. In the second part of the paper, we exploit the fact that the distribution function is close to the Maxwellian and solve the kinetic equation this time including the B-field. The resulting approximate solution allows us to find the expression for the heat flux across a B-field in the integral form. To simplify the flux calculation, we drop the ambipolar field term but include two normalization constants ( whose values are defined against Fokker - Planck simulations) that account for the E-field effects and the B-field impact on the nonlocal E-field. This semi-analytical approach closely recovers the results of heat transport kinetic simulations in a wide range of collisionality and magnetization providing the way to account for the nonlocal transport across a magnetic field in existing hydrocodes. C1 Univ Calif San Diego, La Jolla, CA 92093 USA. Univ London Imperial Coll Sci Technol & Med, Blackett Lab, London SW7 2AZ, England. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Frolov, BK (reprint author), Univ Calif San Diego, La Jolla, CA 92093 USA. EM bfrolov@ucsd.edu OI Kingham, Robert/0000-0002-5045-0216 NR 25 TC 4 Z9 4 U1 1 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 1367-2630 J9 NEW J PHYS JI New J. Phys. PD APR 18 PY 2006 VL 8 AR 56 DI 10.1088/1367-2630/8/4/056 PG 16 WC Physics, Multidisciplinary SC Physics GA 033YA UT WOS:000236889700004 ER PT J AU Linde, N Finsterle, S Hubbard, S AF Linde, N Finsterle, S Hubbard, S TI Inversion of tracer test data using tomographic constraints SO WATER RESOURCES RESEARCH LA English DT Article ID GROUND-PENETRATING RADAR; STEADY-STATE CONDITIONS; TRAVEL-TIME TOMOGRAPHY; AQUIFER PARAMETERS; VADOSE ZONE; HYDRAULIC CONDUCTIVITY; SOLUTE TRANSPORT; TRANSIENT; VELOCITY; SITE AB We have developed a methodology for inverting tracer test data using zonation information obtained from two-dimensional radar tomograms to improve the (typically overly smooth) hydraulic conductivity fields obtained from conventional inversion of tracer test data. The method simultaneously yields two-dimensional estimates of hydraulic conductivity as well as petrophysical relationships that relate hydraulic conductivity to radar velocity; these relationships can be assumed to be stationary throughout the area of investigation or to vary as a function of zonation. Using a synthetic three-dimensional hydraulic conductivity field, we apply the developed inversion methodology and explore the impact of the strength and stationarity of the petrophysical relationship as well as the impact of errors that are often associated with radar data acquisition (such as unknown borehole deviation). We find that adding radar tomographic data to tracer test data improves hydrogeological site characterization, even in the presence of minor radar data errors. The results are contingent on the assumption that a relationship between radar velocity and hydraulic conductivity exists. Therefore the applicability of the proposed method may be limited to field sites where this condition is partially or fully satisfied. C1 Uppsala Univ, Dept Earth Sci Geophys, Uppsala, Sweden. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Linde, N (reprint author), Univ Paul Cezanne, CNRS, CEREGE, Europole Mediterraneen Arbois,BP 80, F-13545 Aix En Provence, France. EM linde@cerege.fr RI Linde, Niklas/A-9440-2008; Finsterle, Stefan/A-8360-2009; Hubbard, Susan/E-9508-2010 OI Linde, Niklas/0000-0003-1613-353X; Finsterle, Stefan/0000-0002-4446-9906; NR 49 TC 55 Z9 55 U1 1 U2 6 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0043-1397 EI 1944-7973 J9 WATER RESOUR RES JI Water Resour. Res. PD APR 18 PY 2006 VL 42 IS 4 AR W04410 DI 10.1029/2004WR003806 PG 15 WC Environmental Sciences; Limnology; Water Resources SC Environmental Sciences & Ecology; Marine & Freshwater Biology; Water Resources GA 039NX UT WOS:000237314000001 ER PT J AU Olson, MR Russell, KJ Narayanamurti, V Olson, JM Appelbaum, I AF Olson, MR Russell, KJ Narayanamurti, V Olson, JM Appelbaum, I TI Linear photon upconversion of 400 meV in an AlGaInP/GaInP quantum well heterostructure to visible light at room temperature SO APPLIED PHYSICS LETTERS LA English DT Article ID PHOTOLUMINESCENCE; DIODE AB We linearly up convert photons from 820 to 650 nm, an energy change of similar to 400 meV, using a AlGaInP/GaInP quantum well heterostructure. Current and luminescence-voltage measurements are presented at temperatures from 6 to 300 K. Photoexcited electrons are injected into the semiconductor from the Au Schottky and a forward bias across the p(+)-i-n heterostructure drifts electrons into the GaInP quantum well. Holes diffuse from the heavily doped substrate and radiatively recombine, emitting similar to 650 nm light. Linear upconversion is verified by injecting hot electrons with a solid-state tunnel junction. This device encourages other technologies, including night-vision aids and thermal energy converters. C1 Harvard Univ, Div Engn & Appl Sci, Cambridge, MA 02138 USA. Natl Renewable Energy Lab, Golden, CO 80401 USA. Univ Delaware, Dept Elect & Comp Engn, Newark, DE 19716 USA. RP Olson, MR (reprint author), Harvard Univ, Div Engn & Appl Sci, Cambridge, MA 02138 USA. EM molson@fas.harvard.edu RI Appelbaum, Ian/E-4056-2012 NR 17 TC 6 Z9 6 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 17 PY 2006 VL 88 IS 16 AR 161108 DI 10.1063/1.2195094 PG 3 WC Physics, Applied SC Physics GA 034ZL UT WOS:000236969300008 ER PT J AU Pan, D Nieh, TG Chen, MW AF Pan, D Nieh, TG Chen, MW TI Strengthening and softening of nanocrystalline nickel during multistep nanoindentation SO APPLIED PHYSICS LETTERS LA English DT Article ID STRAIN-RATE SENSITIVITY; INDENTATION EXPERIMENTS; ELASTIC-MODULUS; GRAIN-GROWTH; HARDNESS; PLASTICITY; SILICON; METALS; AL AB Multistep load-unload nanoindentation was employed to address the effect of deformation-induced microstructural evolution on mechanical behavior of nanocrystalline Ni. Deformation discontinuity was deliberately introduced by unloading-reloading during nanoindentation testing, which allows us to examine the influence of microstructural evolution on the successive deformation. Strain strengthening/softening of nanocrystalline nickel, associated with the transition of deformation behavior from dislocation activity at high loading rates to a grain-boundary-mediated process at low loading rates, was uncovered by means of this experimental methodology. (c) 2006 American Institute of Physics. C1 Tohoku Univ, Mat Res Inst, Sendai, Miyagi 9808577, Japan. Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. RP Chen, MW (reprint author), Tohoku Univ, Mat Res Inst, Sendai, Miyagi 9808577, Japan. EM mwchen@imr.tohoku.ac.jp RI Pan, Deng/C-2072-2009; Nieh, Tai-Gang/G-5912-2011; Chen, Mingwei/A-4855-2010 OI Nieh, Tai-Gang/0000-0002-2814-3746; Chen, Mingwei/0000-0002-2850-8872 NR 30 TC 51 Z9 52 U1 0 U2 22 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 17 PY 2006 VL 88 IS 16 AR 161922 DI 10.1063/1.2197289 PG 3 WC Physics, Applied SC Physics GA 034ZL UT WOS:000236969300048 ER PT J AU Zhou, Z Immel, D Xi, CX Bierhaus, A Feng, X Mei, L Nawroth, P Stern, DM Xiong, WC AF Zhou, Z Immel, D Xi, CX Bierhaus, A Feng, X Mei, L Nawroth, P Stern, DM Xiong, WC TI Regulation of osteoclast function and bone mass by RAGE SO JOURNAL OF EXPERIMENTAL MEDICINE LA English DT Article ID GLYCATION END-PRODUCTS; ACTIVATED PROTEIN-KINASE; MOBILITY GROUP BOX-1; ALPHA(V)BETA(3) INTEGRIN; SUSTAINED ACTIVATION; AVIAN OSTEOCLASTS; ADHESION KINASE; DENDRITIC CELLS; RECEPTOR RAGE; CRUCIAL ROLE AB The receptor for advanced glycation end products ( RAGE) is a member of the immunoglobulin superfamily that has multiple ligands and is implicated in the pathogenesis of various diseases, including diabetic complications, neurodegenerative disorders, and inflammatory responses. However, the role of RAGE in normal physiology is largely undefined. Here, we present evidence for a role of RAGE in osteoclast maturation and function, which has consequences for bone remodeling. Mice lacking RAGE had increased bone mass and bone mineral density and decreased bone resorptive activity in vivo. In vitro-differentiated RAGE-deficient osteoclasts exhibited disrupted actin ring and sealing zone structures, impaired maturation, and reduced bone resorptive activity. Impaired signaling downstream of alpha(v)beta(3) integrin was observed in RAGE(-/-) bone marrow macrophages and precursors of OCs. These results demonstrate a role for RAGE in osteoclast actin cytoskeletal reorganization, adhesion, and function, and suggest that the osteosclerotic-like phenotype observed in RAGE knockout mice is due to a defect in osteoclast function. C1 Med Coll Georgia, Inst Mol Med & Genom, Augusta, GA 30912 USA. Med Coll Georgia, Dept Neurol, Augusta, GA 30912 USA. Westinghouse Savannah River Co, Savannah River Lab, Aiken, SC 29808 USA. Univ Heidelberg, Dept Med 1, D-69120 Heidelberg, Germany. Univ Alabama, Dept Pathol, Birmingham, AL 35294 USA. Univ Cincinnati, Coll Med, Deans Off, Cincinnati, OH 45267 USA. RP Xiong, WC (reprint author), Med Coll Georgia, Inst Mol Med & Genom, Augusta, GA 30912 USA. EM wxiong@mcg.edu RI Mei, Lin/G-8755-2012 FU NIAMS NIH HHS [AR47830, AR481210, R01 AR047830, R01 AR048120]; NIGMS NIH HHS [GM63861, R01 GM063861]; NINDS NIH HHS [NS045710, NS44521, R01 NS040480, R01 NS044521, R01 NS045710]; PHS HHS [N40480] NR 61 TC 87 Z9 89 U1 0 U2 2 PU ROCKEFELLER UNIV PRESS PI NEW YORK PA 1114 FIRST AVE, 4TH FL, NEW YORK, NY 10021 USA SN 0022-1007 J9 J EXP MED JI J. Exp. Med. PD APR 17 PY 2006 VL 203 IS 4 BP 1067 EP 1080 DI 10.1084/jem.20051947 PG 14 WC Immunology; Medicine, Research & Experimental SC Immunology; Research & Experimental Medicine GA 036FH UT WOS:000237056000030 PM 16606672 ER PT J AU Hirano, T Gyulassy, M AF Hirano, T Gyulassy, M TI Perfect fluidity of the quark-gluon plasma core as seen through its dissipative hadronic corona SO NUCLEAR PHYSICS A LA English DT Article ID HEAVY-ION COLLISIONS; NUCLEUS-NUCLEUS COLLISIONS; COLOR GLASS CONDENSATE; PARTON ENERGY-LOSS; ELLIPTIC FLOW; HYDRODYNAMIC AFTERBURNER; TRANSPORT-COEFFICIENTS; QCD MATTER; ANISOTROPY; SIGNATURE AB The agreement of hydrodynamic predictions of differential elliptic flow and radial flow patterns with Au + Au data at root SNN = 200 GeV is one of the main lines of evidence suggesting the nearly perfect fluid properties of the strongly coupled quark-gluon plasma, sQGP, produced at RHIC. We study the sensitivity of this conclusion to different hydrodynamic assumptions on hadro-chemical and thermal freezeout after the sQGP hadronizes. We show that if chemical freezeout occurs at the hadronization time, as required to reproduce the observed hadron yields, then, surprisingly, the differential elliptic flow, upsilon (2)(PT), for pions continues to increase with proper time in the late hadronic phase until thermal freezeout and leads to a discrepancy with the upsilon (2)(PT) data. In contrast, if both hadro-chemical and thermal equilibrium are maintained past the hadronization point, then the mean transverse momentum per pion increases in a way that accidentally preserves upsilon (2)(PT) from the sQGP phase in agreement with the data, but at the cost of the agreement with the observed hadronic yields. In order that all the data on (1) hadronic ratios, (2) radial flow, as well as (3) differential elliptic flow be reproduced, the sQGP core must expand with a minimal viscosity, eta approximate to T-C(3), that is however even greater than the viscosity, eta(H) approximate to T/sigma(H), of its hadronic corona. However, because of the large entropy density difference of the two phases of QCD matter, the larger viscosity in the sQGP phase leads to nearly perfect fluid flow in that phase while the smaller entropy density of the hadronic corona strongly hinders the applicability of Euler hydrodynamics in that phase. The "perfect fluid" property of the sQGP is thus not due to a sudden reduction of the viscosity at the critical temperature T-C, but to a sudden increase of the entropy density of QCD matter and is therefore an important signature of deconfinement. (c) 2006 Elsevier B.V. All rights reserved. C1 Columbia Univ, Dept Phys, New York, NY 10027 USA. Brookhaven Natl Lab, RIKEN, BNL, ResCtr, Upton, NY 11973 USA. RP Columbia Univ, Dept Phys, New York, NY 10027 USA. EM hirano@phys.columbia.edu NR 96 TC 205 Z9 208 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9474 EI 1873-1554 J9 NUCL PHYS A JI Nucl. Phys. A PD APR 17 PY 2006 VL 769 BP 71 EP 94 DI 10.1016/j.nuclphysa.2006.02.005 PG 24 WC Physics, Nuclear SC Physics GA 029LW UT WOS:000236565200005 ER PT J AU Huber, T Lunghi, E Misiak, M Wyler, D AF Huber, T Lunghi, E Misiak, M Wyler, D TI Electromagnetic logarithms in B -> X(s)l(+)l(-) SO NUCLEAR PHYSICS B LA English DT Article ID DILEPTON INVARIANT MASS; PHOTON ENERGY-SPECTRUM; RARE B DECAYS; LEADING LOGARITHMS; STANDARD MODEL; SEMILEPTONIC-B; BETA-FUNCTION; QCD; MATRIX; LOOPS AB The (B) over bar X(S)l(+)l(-) decay rate is known at the next-to-next-to-leading order in QCD. It is proportional to alpha(em) (mu)(2) and has a +/- 4% scale uncertainty before including the O(alpha(em) ln(M-W(2)/m(b)(2))) electromagnetic corrections. We evaluate these corrections and confirm the earlier findings of Bobeth et al. Furthermore, we complete the calculation of logarithmically enhanced electromagnetic effects by including also QED corrections to the matrix elements of four-fermion operators. Such corrections contain a collinear logarithm ln(m(b)(2)/m(l)(2)) that survives integration over the low dilepton invariant mass region 1 GeV2 < m(ll)(2) < 6 GeV2 and enhances the integrated decay rate in this domain. For the low-m(ll)(2) integrated branching ratio in the muonic case, we find B(B -> X(s)mu(+)mu(-)) = (1.59 +/- 0.11) x 10(-6), where the error includes the parametric and perturbative uncertainties only. For B(B -> X(s)e(+)e(-)), in the current BaBar and Belle setups, the logarithm of the lepton mass gets replaced by angular cut parameters and the integrated branching ratio for the electrons is expected to be close to that for the muons. (c) 2006 Elsevier B.V. All rights reserved. C1 Univ Zurich, Inst Theoret Phys, CH-8057 Zurich, Switzerland. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Univ Warsaw, Inst Theoret Phys, PL-00681 Warsaw, Poland. RP Univ Zurich, Inst Theoret Phys, Winterthurerstr 190, CH-8057 Zurich, Switzerland. EM mikolaj.misiak@fuw.edu.pl OI Huber, Tobias/0000-0002-3851-0116 NR 49 TC 107 Z9 108 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0550-3213 EI 1873-1562 J9 NUCL PHYS B JI Nucl. Phys. B PD APR 17 PY 2006 VL 740 IS 1-2 BP 105 EP 137 DI 10.1016/j.nuclphysb.2006.01.037 PG 33 WC Physics, Particles & Fields SC Physics GA 030DV UT WOS:000236615000006 ER PT J AU Dixit, S Hering, JG AF Dixit, S Hering, JG TI Sorption of Fe(II) and As(III) on goethite in single- and dual-sorbate systems SO CHEMICAL GEOLOGY LA English DT Article; Proceedings Paper CT Annual Conference of the Soil-Science-Society-of-America CY NOV 03, 2003 CL Denver, CO SP Soil Sci Soc Amer DE sorption; arsenic; reductive dissolution; surface complexion model ID SPECTROSCOPIC EVIDENCE; CARBON-TETRACHLORIDE; SURFACE CATALYSIS; FERROUS IRON; FERRIC-OXIDE; METAL-IONS; FE-II; REDUCTION; MECHANISMS; ARSENIC(III) AB Experiments were conducted to quantify Fe(II) sorption onto goethite in the absence and presence of As(III). The experimental data obtained in single-sorbate experiments were modeled using a diffuse double layer surface complexation model and used to predict and compare sorption in dual-sorbate systems. The sorption process was shown to be reversible by the complete recovery of sorbed Fe(II) upon extraction with 0.5 N HCl. Sorption of Fe(II) increases with increasing pH, as observed previously for various iron oxides. Sorption isotherms obtained between pH 6.0 and 7.5 showed continuous increase in sorption density with increase in dissolved Fe(II) concentration; under these conditions, surface saturation was approached but not reached. Experiments conducted in the absence and presence of 500 and 1000 mu M total As(III) did not show any significant difference in the Fe(II) sorption density. As(III) sorption density did not change with increasing sorbed Fe(II) concentration when the total arsenic concentration was 500 mu M. However, when the total As(III) concentration was 1000 mu M, As(III) sorption densities increased almost linearly with increasing sorbed Fe(II) concentrations. The model provided a good-to-adequate description of Fe(II) and As(III) sorption in single-sorbate systems over a range of experimental conditions but failed to predict the experimental observations in dual-sorbate systems. The predicted sorption densities for both As(Ill) and Fe(II) were lower than those observed. These discrepancies illustrate problems that may arise when model parameters obtained in single-sorbate systems are used to predict sorption in multi-sorbate systems where all sorbates are presumed to compete for the same sites. The lack of competition observed between As(III) and Fe (II) for sorption sites indicate that the concurrent release of Fe(II) and As(III) during reductive dissolution of iron oxides, inferred as the mechanism of arsenic mobilization in many reducing ground waters, may have relatively minor effects on the subsequent resorption of As(III) to residual iron oxides remaining in the sediment. (c) 2006 Elsevier B.V. All rights reserved. C1 CALTECH, Pasadena, CA 91125 USA. RP Dixit, S (reprint author), Lawrence Livermore Natl Lab, L-396, Livermore, CA 94550 USA. EM dixit2@llnl.gov NR 38 TC 63 Z9 64 U1 10 U2 40 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2541 EI 1878-5999 J9 CHEM GEOL JI Chem. Geol. PD APR 16 PY 2006 VL 228 IS 1-3 BP 6 EP 15 DI 10.1016/j.chemgeo.2005.11.15 PG 10 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 035JT UT WOS:000236997800002 ER PT J AU Donner, S Li, HW Yeung, ES Porter, MD AF Donner, S Li, HW Yeung, ES Porter, MD TI Fabrication of optically transparent carbon electrodes by the pyrolysis of photoresist films: Approach to single-molecule spectroelectrochemistry SO ANALYTICAL CHEMISTRY LA English DT Article ID MODULATED LIQUID-CHROMATOGRAPHY; INFINITE DIFFUSION CONDITIONS; GLASSY-CARBON; DNA-MOLECULES; THIN-LAYER; CONDUCTION; GRAPHITE; SURFACES; PERFORMANCE; ADSORPTION AB This paper describes the preparation, physical and chemical characterization, and performance of carbon-based optically transparent electrodes (C-OTEs) fabricated by the pyrolysis of thin films of photoresist. The electrodes are prepared by spin coating dilute solutions of the positive photoresist AZ 4330 onto quartz substrates. Pyrolysis of these samples at 1000 degrees C in a reducing atmosphere yields optically transparent carbon films that have thicknesses ranging between 10 and 80 nm. Sheet resistance measurements, X-ray photoelectron spectroscopy, Raman spectroscopy, and atomic force microscopy were used to determine the physical and chemical properties of the films, and cyclic voltammetry and chronoabsorptometry were employed to delineate the electrochemical and conventional spectroelectrochemical performance of the C-OTEs. These findings showed that the transparency of this material improves as film thickness decreases, but at the expense of an increase in film resistance. At a wavelength of 500 run, for example, 13- and 79-nm-thick films have transparencies of 47 and 10% and sheet resistances of 1100 and 210 Omega/square, respectively. Importantly, adjusting the dilution factor allows the facile and reproducible variation of thickness and transparency. Preliminary results using these C-OTEs for singlemolecule spectroelectrochemistry, which represents a new development in the merger of optical and electrochemical techniques, by probing the potential dependence of the adsorption of individual YOYO-I-labeled lambda-DNA are also presented. C1 Iowa State Univ, Ames Lab, USDOE, Dept Chem, Ames, IA 50011 USA. Iowa State Univ, Dept Chem & Biol Chem, Ames, IA 50011 USA. Iowa State Univ, Inst Combinatorial Discovery, Ames, IA 50011 USA. RP Porter, MD (reprint author), Iowa State Univ, Ames Lab, USDOE, Dept Chem, Ames, IA 50011 USA. EM mporter@porter1.ameslab.gov OI Li, Hung Wing/0000-0003-4840-1965 NR 39 TC 50 Z9 51 U1 1 U2 28 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 J9 ANAL CHEM JI Anal. Chem. PD APR 15 PY 2006 VL 78 IS 8 BP 2816 EP 2822 DI 10.1021/ac052244d PG 7 WC Chemistry, Analytical SC Chemistry GA 034RM UT WOS:000236948300047 PM 16615798 ER PT J AU Kannan, B Castelino, K Chen, FF Majumdar, A AF Kannan, B Castelino, K Chen, FF Majumdar, A TI Lithographic techniques and surface chemistries for the fabrication of PEG-passivated protein microarrays SO BIOSENSORS & BIOELECTRONICS LA English DT Article DE protein microarrays; poly(ethylene glycol); lithography; non-specific adsorption ID POLY(ETHYLENE GLYCOL); POLYETHYLENE OXIDE; IMMUNOASSAYS; ADSORPTION; MONOLAYERS; RESIST; MICROPATTERNS; PLATFORM; ARRAYS; CHIP AB This article presents a new technique to fabricate patterns of functional molecules surrounded by a coating of the inert poly(ethylene glycol) (PEG) on glass slides for applications in protein microarray technology. The chief advantages of this technique are that it is based entirely on standard lithography processes, makes use of glass slides employing surface chemistries that are standard in the microarray community, and has the potential to massively scale up the density of microarray spots. It is shown that proteins and antibodies can be made to self-assemble on the functional patterns in a microarray format, with the PEG coating acting as an effective passivating agent to prevent non-specific protein adsorption. Various standard surface chemistries such as aldehyde, epoxy and amine are explored for the functional layer, and it is conclusively demonstrated that only an amine-terminated surface satisfies all the process constraints imposed by the lithography process sequence. The effectiveness of this microarray technology is demonstrated by patterning fluorescent streptavidin and a fluorescent secondary antibody using the well-known and highly specific interaction between biotin and streptavidin. (c) 2005 Elsevier B.V All rights reserved. C1 Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Majumdar, A (reprint author), Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. EM balajik@me.berkeley.edu; kenneth@me.berkeley.edu; f_chen@lbl.gov; majumdar@me.berkeley.edu FU NCI NIH HHS [R21 CA095393, P50CA112970, R1CA95393, U54 CA112970, U54 CA112970-05] NR 26 TC 37 Z9 38 U1 0 U2 8 PU ELSEVIER ADVANCED TECHNOLOGY PI OXFORD PA OXFORD FULFILLMENT CENTRE THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0956-5663 J9 BIOSENS BIOELECTRON JI Biosens. Bioelectron. PD APR 15 PY 2006 VL 21 IS 10 BP 1960 EP 1967 DI 10.1016/j.bios.2005.09.018 PG 8 WC Biophysics; Biotechnology & Applied Microbiology; Chemistry, Analytical; Electrochemistry; Nanoscience & Nanotechnology SC Biophysics; Biotechnology & Applied Microbiology; Chemistry; Electrochemistry; Science & Technology - Other Topics GA 032EG UT WOS:000236756100016 PM 16457998 ER PT J AU Glesne, DA Zhang, W Mandava, S Ursos, L Buell, ME Makowski, L Rodi, DJ AF Glesne, DA Zhang, W Mandava, S Ursos, L Buell, ME Makowski, L Rodi, DJ TI Subtractive transcriptomics: Establishing polarity drives in vitro human endothelial morphogenesis SO CANCER RESEARCH LA English DT Article ID DIFFERENTIAL GENE-EXPRESSION; CAPILLARY MORPHOGENESIS; TUMOR ANGIOGENESIS; BASEMENT-MEMBRANE; COLLAGEN MATRICES; TUBE FORMATION; CELL MOTILITY; GROWTH-FACTOR; CADHERIN; PROTEIN AB Although investigations of mature normal and tumor-derived capillaries have resulted in characterization of these structures at the phenotypic level, less is known regarding the initial molecular cues for cellular assembly of endothelial cells into human capillaries. Here, we employ a novel combination of microenvironmental manipulation and microarray data filtration over narrowly delineated temporal data series to identify the morphogenesis component apart from the proliferation component, as pooled human microvascular-derived endothelial cells are induced to form capillary-like structures in vitro in a murine tumor-derived matrix. The 217 morphogenesis-specific genes identified using this subtractive transcriptomics approach are mostly independent of the angiogenic proteins currently used as therapeutic targets for aberrant angiogenesis. Quantitative real-time PCR was used to validate 20% of these transcripts. Immunofluorescent analysis of proliferating and tube-forming cells validates at the protein level the morphogenesis-specific expression pattern of 16 of the 217 gene products identified. The transcripts that are selectively up-regulated in tube-forming endothelial cells reveal a temporal expression pattern of genes primarily associated with intracellular trafficking, guided migration, cytoskeletal reorganization, cellular adhesion, and proliferation inhibition. These data show that a sequential upregulation of genes that establish and maintain polarity occurs during migration and morphogenesis of in vitro human endothelial cells undergoing tubulogenesis; some of which may well be effective as novel antiangiogenic drug targets. C1 Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. RP Rodi, DJ (reprint author), Argonne Natl Lab, Biosci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM drodi@anl.gov NR 36 TC 16 Z9 16 U1 0 U2 1 PU AMER ASSOC CANCER RESEARCH PI PHILADELPHIA PA 615 CHESTNUT ST, 17TH FLOOR, PHILADELPHIA, PA 19106-4404 USA SN 0008-5472 J9 CANCER RES JI Cancer Res. PD APR 15 PY 2006 VL 66 IS 8 BP 4030 EP 4040 DI 10.1158/0008-5472.CAN-05-3294 PG 11 WC Oncology SC Oncology GA 033JM UT WOS:000236843200013 PM 16618722 ER PT J AU Van Hove, MA AF Van Hove, MA TI From surface science to nanotechnology SO CATALYSIS TODAY LA English DT Article; Proceedings Paper CT Colloquium on Environment, Materials, Energy CY DEC 11-13, 2004 CL Ouargla, ALGERIA DE surface science; nanoscience; nanotechnology; nanostructures; nanobiology ID ENERGY-ELECTRON DIFFRACTION; CARBON NANOTUBES; QUASI-CRYSTAL; NANOCRYSTALS; CATALYSTS; STATES; STM AB This overview sketches the historical development of surface science through nanoscience toward nanotechnology. It spans about 50 years of evolution and emphasizes the multidisciplinary nature of this field, as well as its closely-knit interactions with technology, scientific disciplines, phenomena and techniques. A series of examples is given, drawn mainly from work performed in Berkeley, to highlight various stages in the field: surfaces, interfaces, clusters, thin films, superlattices, nanostructures and "bionano". (c) 2005 Elsevier B.V. All rights reserved. C1 Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. RP Van Hove, MA (reprint author), City Univ Hong Kong, Dept Phys & Mat Sci, 83 Tat Chee Ave, Kowloon, Hong Kong, Peoples R China. EM vanhove@cityu.edu.hk RI Van Hove, Michel/A-9862-2008 OI Van Hove, Michel/0000-0002-8898-6921 NR 29 TC 15 Z9 15 U1 2 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0920-5861 J9 CATAL TODAY JI Catal. Today PD APR 15 PY 2006 VL 113 IS 3-4 BP 133 EP 140 DI 10.1016/j.cattod.2005.11.059 PG 8 WC Chemistry, Applied; Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA 028AV UT WOS:000236458600002 ER PT J AU Yang, M Burton, DW Geller, J Hillegonds, DJ Hastings, RH Deftos, LJ Hoffman, RM AF Yang, M Burton, DW Geller, J Hillegonds, DJ Hastings, RH Deftos, LJ Hoffman, RM TI The bisphosphonate olpadronate inhibits skeletal prostate cancer progression in a green fluorescent protein nude mouse model SO CLINICAL CANCER RESEARCH LA English DT Article ID ZOLEDRONIC ACID; IN-VITRO; CONTROLLED TRIAL; BONE METASTASES; EXPRESSION; CELLS; ANGIOGENESIS; PAMIDRONATE; CARCINOMA; GROWTH AB Purpose: Metastatic bone disease is one of the major causes of morbidity and mortality in prostate cancer patients. Bisphosphonates are currently used to inhibit bone resorption and reduce tumor-induced skeletal complications. More effective bisphosphonates would enhance their clinical value. Experimental Design: We tested several bisphosphonates in a green fluorescent protein (GFP) - expressing human prostate cancer nude mouse model. The in vivo effects of four bisphosphonates, including pamidronate, etidronic acid, and olpadronate, on bone tumor burden in mice intratibially inoculated with PC-3-GFP human prostate cancer cells were visualized by whole-body fluorescence imaging and X-ray. Results: The PC-3-GFP cells produced extensive bone lesions when injected into the tibia of immunocompromised mice. The skeletal progression of the PC-3-GFP cell growth was monitored by GFP fluorescence and the bone destruction was evaluated by X-ray. We showed that 3,3-dimethylaminopropane-1-hydroxy-1,1-diphosphonic acid (olpadronate) was the most effective bisphosphonate treatment in reducing tumor burden as assessed by GFP imaging and radiography. The GFP tumor area and X-ray score significantly correlated. Reduced tumor growth in the bone was accompanied by reduced serum calcium, parathyroid hormone - related protein, and osteoprotegerin. Conclusions: The serum calcium, parathyroid hormone-related protein, and osteoprotegerin levels were significantly correlated with GFP area and X-ray scores. Treatment with olpadronate reduced tumor growth in the bone measured by GFP and X-ray imaging procedures. Imaging of GFP expression enables monitoring of tumor growth in the bone and the GFP results complement the X-ray assessment of bone disease. The data in this report suggest that olpadronate has potential as an effective inhibitor of the skeletal progression of clinical prostate cancer. C1 Anticanc Inc, San Diego, CA 92111 USA. Univ Calif San Diego, Dept Surg, San Diego, CA 92103 USA. Vet Adm San Diego Healthcare Syst, San Diego, CA USA. Lawrence Livermore Natl Lab, Livermore, CA USA. RP Hoffman, RM (reprint author), Anticanc Inc, 7917 Ostrow St, San Diego, CA 92111 USA. EM all@anticancer.com FU NIAMS NIH HHS [AR47347]; NIDDK NIH HHS [DK-60586]; NIEHS NIH HHS [ES-09227] NR 25 TC 27 Z9 29 U1 0 U2 3 PU AMER ASSOC CANCER RESEARCH PI PHILADELPHIA PA 615 CHESTNUT ST, 17TH FLOOR, PHILADELPHIA, PA 19106-4404 USA SN 1078-0432 J9 CLIN CANCER RES JI Clin. Cancer Res. PD APR 15 PY 2006 VL 12 IS 8 BP 2602 EP 2606 DI 10.1158/1078-0432.CCR-05-2050 PG 5 WC Oncology SC Oncology GA 037UR UT WOS:000237173300031 PM 16638872 ER PT J AU Catalano, JG McKinley, JP Zachara, JM Heald, SM Smith, SC Brown, GE AF Catalano, JG McKinley, JP Zachara, JM Heald, SM Smith, SC Brown, GE TI Changes in uranium speciation through a depth sequence of contaminated Hanford sediments SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID SURFACE PRECIPITATION; URANYL INCORPORATION; CRYSTAL-STRUCTURE; COMPLEX-FORMATION; NATURAL CALCITE; ADSORPTION; U(VI); MONTMORILLONITE; DESORPTION; MINERALS AB The disposal of basic sodium aluminate and acidic U(VI)-Cu(II) wastes in the now-dry North and South 300 A Process Ponds at the Hanford site resulted in a groundwater plume of U(VI). To gain insight into the geochemical processes that occurred during waste disposal and those affecting the current and future fate and transport of this uranium plume, the solid-phase speciation of uranium in a depth sequence of sediments from the base of the North Process Pond through the vadose zone to groundwater was investigated using standard chemical and mineralogical analyses, electron and X-ray microprobe measurements, and X-ray absorption fine structure spectroscopy. Near-surface sediments contained uranium coprecipitated with calcite, which formed due to overneutralization of the waste ponds with base (NaOH). At intermediate depths in the vadose zone, metatorbernite [Cu(UO2PO4)(2)center dot 8H(2)O] precipitated, likely during pond operations. Uranium occurred predominantly sorbed onto phyllosilicates in the deeper vadose zone and groundwater; sorbed uranium was also an important component at intermediate depths. Since the calcite-bearing pond sediments have been removed in remediation efforts, uranium fate and transport will be controlled primarily by desorption of the sorbed uranium and dissolution of metatorbernite. C1 Stanford Univ, Dept Geog & Environm Sci, Stanford, CA 94305 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. Stanford Synchrotron Radiat Lab, Stanford, CA USA. Argonne Natl Lab, Adv Photon Source, PNC CAT, Argonne, IL 60439 USA. RP Catalano, JG (reprint author), Argonne Natl Lab, Div Chem, 9700 S Cass Ave, Argonne, IL 60439 USA. EM catalano@anl.gov RI Catalano, Jeffrey/A-8322-2013 OI Catalano, Jeffrey/0000-0001-9311-977X NR 60 TC 70 Z9 71 U1 2 U2 32 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 APR 15 PY 2006 VL 40 IS 8 BP 2517 EP 2524 DI 10.1021/es0520969 PG 8 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 035HX UT WOS:000236992700009 PM 16683586 ER PT J AU Fields, MW Bagwell, CE Carroll, SL Yan, T Liu, X Watson, DB Jardine, PM Criddle, CS Hazen, TC Zhou, J AF Fields, MW Bagwell, CE Carroll, SL Yan, T Liu, X Watson, DB Jardine, PM Criddle, CS Hazen, TC Zhou, J TI Phylogenetic and functional biomakers as indicators of bacterial community responses to mixed-waste contamination SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID MICROBIAL COMMUNITIES; DIVERSITY; RNA; GROUNDWATER; SOILS; RECOVERY; DNA AB Few studies have demonstrated changes in community structure along a contaminant plume in terms of phylogenetic, functional, and geochemical changes, and such studies are essential to understand how a microbial ecosystem responds to perturbations. Clonal libraries of multiple genes (SSU rDNA, nirK, nirS, amoA, pmoA, and dsrAB) were analyzed from groundwater samples (n = 6) that varied in contaminant levels, and 107 geochemical parameters were measured. Principal components analyses (PCA) were used to compare the relationships among the sites with respect to the biomarker (n = 785 for all sequences) distributions and the geochemical variables. A major portion of the geochemical variance measured among the samples could be accounted for by tetra chloroethene, (99)Tc, NO(3), SO(4), Al, and Th. The PCA based on the distribution of unique biomarkers resulted in different groupings compared to the geochemical analysis, but when the SSU rRNA gene libraries were directly compared (Delta C(xy) values) the sites were clustered in a similar fashion compared to geochemical measures. The PCA based upon functional gene distributions each predicted different relationships among the sites, and comparisons of Euclidean distances based upon diversity indices for all functional genes (n = 432) grouped the sites by extreme or intermediate contaminant levels. The data suggested that the sites with low and high perturbations were functionally more similar than sites with intermediate conditions, and perhaps captured the overall community structure better than a single phylogenetic biomarker. Moreover, even though the background site was phylogenetically and geochemically distinct from the acidic sites, the extreme conditions of the acidic samples might be more analogous to the limiting nutrient conditions of the background site. An understanding of microbial community-level responses within an ecological framework would provide better insight for restoration strategies at contaminated field sites. C1 Miami Univ, Dept Microbiol, Oxford, OH 45056 USA. Savannah River Natl Lab, Environm Sci & Technol, Aiken, SC 29803 USA. Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. Stanford Univ, Dept Civil & Environm Engn, Stanford, CA 94305 USA. Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. Univ Oklahoma, Dept Bot & Microbiol, Inst Environm Genom, Norman, OK 73019 USA. RP Fields, MW (reprint author), Miami Univ, Dept Microbiol, Oxford, OH 45056 USA. EM fieldsmw@muohio.edu RI Watson, David/C-3256-2016; Hazen, Terry/C-1076-2012 OI Watson, David/0000-0002-4972-4136; Hazen, Terry/0000-0002-2536-9993 NR 26 TC 21 Z9 21 U1 3 U2 16 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 APR 15 PY 2006 VL 40 IS 8 BP 2601 EP 2607 DI 10.1021/es051748q PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 035HX UT WOS:000236992700021 PM 16683598 ER PT J AU Choi, S O'Day, PA Rivera, NA Mueller, KT Vairavamurthy, MA Seraphin, S Chorover, J AF Choi, S O'Day, PA Rivera, NA Mueller, KT Vairavamurthy, MA Seraphin, S Chorover, J TI Strontium speciation during reaction of kaolinite with simulated tank-waste leachate: Bulk and microfocused EXAFS analysis SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID RAY-ABSORPTION SPECTROSCOPY; CRYSTAL-STRUCTURE; CESIUM; PRECIPITATION; COORDINATION; ADSORPTION; CANCRINITE; ARAGONITE; SURFACES; SODALITE AB Radioactive strontium (Sr-90) is an important constituent of the complex wastes from past nuclear weapons production and has been stored in underground tanks at U.S. DOE sites (e.g., Hanford, WA). Using bulk and microfocused EXAFS spectroscopy, we examined temporal changes in solid-phase Sr speciation in kaolinite samples reacted for 1-369 d with high-pH, high ionic strength synthetic tank-waste leachate containing Sr2+ and Cs+ at 10(-3) mol kg(-1). Analyses of bulk EXAFS spectra showed that Sr initially forms a precipitate by 7 d with a local structure similar to SrCO3(s). At 33 d, microfocused EXAFS of individual particles in one sample revealed a mixture of hydrated and dehydrated Sr associated with neoformed sodalite-type phases. At aging times of 93 d and longer, bulk EXAFS spectra and supporting characterizations indicated nonexchangeable Sr with a local structure consistent with incorporation into increasingly crystalline aluminosilicate particles, particularly sodalite. These experimental studies suggest that irreversible trapping of radionuclides occurs if they are present during the formation and aging of feldspathoid alteration products of local Si-bearing sediment minerals. This may serve as an effective contaminant sequestration mechanism at sites such as Hanford. C1 Univ Calif, Sch Nat Sci, Merced, CA 95344 USA. Univ Arizona, Dept Soil Water & Environm Sci, Tucson, AZ 85721 USA. Univ Arizona, Dept Mat Sci & Engn, Tucson, AZ 85721 USA. Penn State Univ, Dept Chem, University Pk, PA 16802 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. Univ Arizona, Dept Mat Sci & Engn, Tucson, AZ 85721 USA. RP O'Day, PA (reprint author), Univ Calif, Sch Nat Sci, Merced, CA 95344 USA. EM poday@ucmerced.edu RI Mueller, Karl/A-3637-2010 NR 27 TC 22 Z9 22 U1 4 U2 21 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 APR 15 PY 2006 VL 40 IS 8 BP 2608 EP 2614 DI 10.1021/es051869q PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 035HX UT WOS:000236992700022 PM 16683599 ER PT J AU Versteeg, RJ Richardson, AN Rowe, T AF Versteeg, RJ Richardson, AN Rowe, T TI Web-accessible scientific workflow system for performance monitoring SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article AB We describe the design and implementation of a web-accessible scientific workflow system for environmental performance monitoring. This workflow environment integrates distributed automated data acquisition with server side data management and information visualization through flexible browser-based data access tools. Component technologies include a rich browser-based client, a back-end server for methodical data processing, user management, and result delivery, and third party applications which are invoked by the back-end using web services. This environment allows for reproducible, transparent result generation by a diverse user base, and provides a seamless integration between data selection, analysis applications, and result delivery. This workflow system has been implemented for several sites and monitoring systems with different degrees of complexity. C1 Idaho Natl Engn Lab, Idaho Falls, ID 83415 USA. RP Versteeg, RJ (reprint author), Idaho Natl Engn Lab, POB 1625, Idaho Falls, ID 83415 USA. EM Roelof.Versteeg@inl.gov NR 22 TC 11 Z9 11 U1 0 U2 3 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 APR 15 PY 2006 VL 40 IS 8 BP 2692 EP 2698 DI 10.1021/es0517421 PG 7 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 035HX UT WOS:000236992700033 PM 16683610 ER PT J AU McKinley, JP Zachara, JM Liu, CX Heald, SC Prenitzer, BI Kempshall, BW AF McKinley, JP Zachara, JM Liu, CX Heald, SC Prenitzer, BI Kempshall, BW TI Microscale controls on the fate of contaminant uranium in the vadose zone, Hanford Site, Washington SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID FELDSPAR DISSOLUTION; AQUEOUS-SOLUTIONS; EASTERN DESERT; URANYL; HYDROLYSIS; MINERALS; SORPTION; ADSORPTION; SEDIMENTS; SILICATE AB An alkaline brine containing uranyl (UO22+) leaked to the thick unsaturated zone at the Hanford Site. We examined samples from this zone at microscopic scale to determine the mode of uranium occurrence-microprecipitates of uranyl (UO22+) silicate within lithic-clast microfractures-and constructed a conceptual model for its emplacement, which we tested using a model of reactive diffusion at that scale. The study was driven by the need to understand the heterogeneous distribution of uranium and the chemical processes that controlled it. X-ray and electron microprobe imaging showed that the uranium was associated with a minority of clasts, specifically granitic clasts occupying less than four percent of the sediment volume. XANES analysis at micron resolution showed the uranium to be hexavalent. The uranium was precipitated in microfractures as radiating clusters of uranyl silicates, and sorbed uranium was not observed on other surfaces. Compositional determinations of the 1-3 mu m precipitates were difficult, but indicated a uranyl silicate. These observations suggested that uranyl was removed from pore waters by diffusion and precipitation in microfractures, where dissolved silica within the granite-equilibrated solution would cause supersaturation with respect to sodium boltwoodite. This hypothesis was tested using a reactive diffusion model operating at microscale. Conditions favoring precipitation were simulated to be transient, and driven by the compositional contrast between pore and fracture space. Pore-space conditions, including alkaline pH, were eventually imposed on the microfracture environment. However, conditions favoring precipitation were prolonged within the microfracture by reaction at the silicate mineral surface to buffer pH in a solubility limiting acidic state, and to replenish dissolved silica. During this time, uranyl was additionally removed to the fracture space by diffusion from pore space. Uranyl is effectively immobilized within the microfracture environment within the presently unsaturated Vadose Zone. (c) 2006 Elsevier Inc. All rights reserved. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. NanoSpect, Orlando, FL 32826 USA. RP McKinley, JP (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM james.mckinley@pnl.gov RI Liu, Chongxuan/C-5580-2009 NR 65 TC 54 Z9 56 U1 4 U2 21 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 APR 15 PY 2006 VL 70 IS 8 BP 1873 EP 1887 DI 10.1016/j.gca.2005.10.037 PG 15 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 036BH UT WOS:000237045300001 ER PT J AU Kerisit, S Rosso, KM AF Kerisit, S Rosso, KM TI Computer simulation of electron transfer at hematite surfaces SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID SCANNING-TUNNELING-MICROSCOPY; MOLECULAR-DYNAMICS; FREE-ENERGY; IRON-OXIDE; AB-INITIO; ATOMISTIC SIMULATION; DOPED ALPHA-FE2O3; INORGANIC SOLIDS; OXYGEN-PRESSURE; POLARON MOTION AB Molecular dynamics simulations in combination with ab initio calculations were carried out to determine the rate of electron transfer at room temperature in bulk hematite (alpha-Fe2O3) and at two low-index surfaces, namely the (012) and (001) surfaces. The electron transfer reactions considered here involve the II/III valence interchange between nearest-neighbor iron atoms. Two electron transfer directions were investigated, namely the basal plane and c direction electron transfers. Electron transfer rates obtained in bulk hematite were in good agreement with ab initio electronic structure calculations thus validating the potential model. The surfaces were considered both in vacuum and in contact with an equilibrated aqueous solution. The reorganization energy is found to increase significantly at the first surface layer and this value is little affected by the presence of water. In addition, in the case of the (012) surface, the electronic coupling matrix element for the topmost basal plane transfer was calculated at the Hartree-Fock level and was found to be weak compared to the corresponding electron transfer in the bulk. Therefore, most surfaces show a decrease in the rate of electron transfer at the surface. However, where iron atoms involved in the electron transfer reaction are directly coordinated to water molecules, water lowers the free energy of activation to a great extent and provides a large driving force for electrons to diffuse toward the bulk thus opposing the intrinsic surface effect. The surfaces considered in this work show different electron transfer properties. Hematite has been shown to exhibit anisotropic conductivity and thus different surfaces will show different intra- and inter-layer rates depending on their orientation. Moreover, the calculations of electron transfers at the hydroxyl- and iron-terminated (001) surfaces revealed that surface termination has a significant effect on the electron transfer parameters in the vicinity of the surface. Finally, our findings indicate that undercoordinated terminal iron atoms could act as electron traps at the surface. (c) 2006 Elsevier Inc. All rights reserved. C1 Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. RP Kerisit, S (reprint author), Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. EM sebastien.kerisit@pnl.gov NR 72 TC 53 Z9 53 U1 2 U2 52 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 APR 15 PY 2006 VL 70 IS 8 BP 1888 EP 1903 DI 10.1016/j.gca.2005.12.021 PG 16 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 036BH UT WOS:000237045300002 ER PT J AU Polyakov, VB Horita, J Cole, DR AF Polyakov, VB Horita, J Cole, DR TI Pressure effects on the reduced partition function ratio for hydrogen isotopes in water SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID BORN-OPPENHEIMER APPROXIMATION; LIQUID-VAPOR FRACTIONATION; THERMO-PHYSICAL PROPERTIES; THERMODYNAMIC PROPERTIES; FUNDAMENTAL EQUATION; ADIABATIC CORRECTION; CRITICAL REGION; HEAVY-WATER; OXYGEN; H2O AB We have developed a simple, yet accurate theoretical method for calculating the reduced isotope partition function ratio (RIPFR) for hydrogen of water at elevated pressures. This approach requires only accurate equations of state (EOS) for pure isotopic end-members (H2O and D2O), which are available in the literature. The effect of pressure or density on the RIPFR of water was calculated relative to that of ideal-gas water at infinitely low pressure for the temperature range from 0 to 527 C. For gaseous and low-pressure (ca. <= 15 MPa) supercritical phases of water, the RIPFR increases slightly (1-1.3 parts per thousand) with pressure or density in a fashion similar to those of many other geologic materials. However, in liquid and high-pressure (> 20 MPa) supercritical phases, the RIPFR of water decreases (0.5-6 parts per thousand) with increasing pressure (or density) to 100 MPa. This rather unique phenomenon is ascribed to the inverse molar volume isotope effects (MVIE) of liquid and high-density supercritical waters, V(D2O) > V(H2O), while other substances including minerals show the normal MVIE. These theoretical predictions were experimentally confirmed by Horita et al. [Horita, J., Cole, D.R., Polyakov, V.B., Driesner, T., 2002. Experimental and theoretical study of pressure effects on hydrogen isotope fractionation in the system brucite-water at elevated temperatures. Geochina. Cosmochim. Acta 66, 3769 - 3788.] for the system brucite-water. Although the P-T ranges for the EOS of normal and heavy waters are rather limited, our modeling indicates that the RIPFR of water continues to decrease with pressure above 100 MPa. The method developed here can be applied to any other geologic fluids, if accurate EOS for their isotopic end-members is available. These results have important implications for the interpretation of high-pressure isotopic partitioning in the Earth, the outer planets, and their moons. (c) 2006 Elsevier Inc. All rights reserved. C1 Russian Acad Sci, Inst Expt Mineral, Chernogolovka, Moscow Region, Russia. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Polyakov, VB (reprint author), Russian Acad Sci, Inst Expt Mineral, Chernogolovka, Moscow Region, Russia. EM polyakov@iem.ac.ru RI Polyakov, Veniamin/N-9747-2015 OI Polyakov, Veniamin/0000-0002-6718-580X NR 43 TC 10 Z9 11 U1 0 U2 9 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 APR 15 PY 2006 VL 70 IS 8 BP 1904 EP 1913 DI 10.1016/j.gca.2006.01.010 PG 10 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 036BH UT WOS:000237045300003 ER PT J AU Wang, YF Xu, HF AF Wang, YF Xu, HF TI Geochemical chaos: Periodic and nonperiodic growth of mixed-layer phyllosilicates SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID TRANSMISSION ELECTRON-MICROSCOPY; ILLITE-SMECTITE; CHLORITE; MINERALS; BIOTITE; INTERSTRATIFICATION; ILLITE/SMECTITE; DIAGENESIS; ORIGIN; CLAYS AB Interstratification-periodic or nonperiodic stacking of two different silicate layers along a c*-axis-is common in phyllosilicates. Published evidence indicates that some interstratified minerals precipitate directly from aqueous solutions. In this paper, we have demonstrated, based on chaos theory, that both periodic and nonperiodic interstratification can autonomously arise from simple kinetics of mineral growth from a solution. Growth of a mixed-layer mineral is assumed to proceed layer by layer, and each layer starts with the formation of a base (Si,Al)-O tetrahedral sheet, whose structural configuration in a-b dimensions determines the type of new layer that forms. The sequence of layer stacking can be described by a one-dimensional map (i.e., a difference equation), which accounts for two competing factors: (1) the affinity of each end-member structural component for attaching to the surface of the preceding layer, and (2) the strain energy created by stacking next to each other two silicate layers with different structural configurations. Chaotic (or nonperiodic) interstratification emerges when the contacting solution becomes slightly supersaturated with respect to both structural components. The transition from one interstratification pattern to another reflects a change in chemical environment during mineral crystallization. Our model can successfully predict the occurrence of mixed-layer phyllosilicates and the associated layer stacking sequences observed in both hydrothermal alteration and sediment diagenesis. The model suggests that the diagenetic transition of smectite -> nonperiodic illite/smectite -> ordered illite/smectite -> illite may reflect relative changes in the saturation degree of pore water with respect to two end-member phases as a result of increasing burial temperatures. (c) 2006 Elsevier Inc. All rights reserved. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Univ Wisconsin, Dept Geol & Geophys, Madison, WI 53706 USA. RP Wang, YF (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM ywang@sandia.gov NR 49 TC 5 Z9 5 U1 3 U2 7 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0016-7037 EI 1872-9533 J9 GEOCHIM COSMOCHIM AC JI Geochim. Cosmochim. Acta PD APR 15 PY 2006 VL 70 IS 8 BP 1995 EP 2005 DI 10.1016/j.gca.2006.01.002 PG 11 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 036BH UT WOS:000237045300010 ER PT J AU Wesolowski, DJ Palmer, DA Benezeth, P AF Wesolowski, DJ Palmer, DA Benezeth, P TI Comment on: "The dissolution rates of gibbsite in the presence of chloride, nitrate, silica, sulfate and citrate in open and closed systems at 20 degrees C" by M. Dietzel and G. Bohme SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Editorial Material ID HIGH-TEMPERATURE SOLUBILITY; IN-SITU MEASUREMENTS; ALUMINUM SPECIATION; AQUEOUS-SOLUTION; HEAT-CAPACITIES; IONIC-STRENGTH; EQUILIBRIA; BOEHMITE; PH; 10-DEGREES-C C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. CNRS, UMR 5563, Lab Mecanismes Transfert Geol, F-31400 Toulouse, France. RP Wesolowski, DJ (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM wesolowskid@ornl.gov RI BENEZETH, Pascale/H-7969-2014 OI BENEZETH, Pascale/0000-0002-1841-2383 NR 22 TC 1 Z9 1 U1 0 U2 8 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 APR 15 PY 2006 VL 70 IS 8 BP 2140 EP 2142 DI 10.1016/j.gca.2005.10.038 PG 3 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 036BH UT WOS:000237045300020 ER PT J AU Desai, J Shannon, ME Johnson, MD Ruff, DW Hughes, LA Kerley, MK Carpenter, DA Johnson, DK Rinchik, EM Culiat, CT AF Desai, J Shannon, ME Johnson, MD Ruff, DW Hughes, LA Kerley, MK Carpenter, DA Johnson, DK Rinchik, EM Culiat, CT TI Nell1-deficient mice have reduced expression of extracellular matrix proteins causing cranial and vertebral defects SO HUMAN MOLECULAR GENETICS LA English DT Article ID SAETHRE-CHOTZEN-SYNDROME; EHLERS-DANLOS-SYNDROME; INTERVERTEBRAL-DISK; CERVICAL-SPINE; DNA-SEQUENCE; CRANIOSYNOSTOSIS; COLLAGEN; NELL-1; GROWTH; GENE AB The mammalian Nell1 gene encodes a protein kinase C-beta 1 (PKC-beta 1) binding protein that belongs to a new class of cell-signaling molecules controlling cell growth and differentiation. Over-expression of Nell1 in the developing cranial sutures in both human and mouse induces craniosynostosis, the premature fusion of the growing cranial bone fronts. Here, we report the generation, positional cloning and characterization of Nell1(6R), a recessive, neonatal-lethal point mutation in the mouse Nell1 gene, induced by N-ethyl-N-nitrosourea. Nell1(6R) has a T -> A base change that converts a codon for cysteine into a premature stop codon [Cys(502)Ter], resulting in severe truncation of the predicted protein product and marked reduction in steady-state levels of the transcript. In addition to the expected alteration of cranial morphology, Nell1(6R) mutants manifest skeletal defects in the vertebral column and ribcage, revealing a hitherto undefined role for Nell1 in signal transduction in endochondral ossification. Real-time quantitative reverse transcription-PCR assays of 219 genes showed an association between the loss of Nell1 function and reduced expression of genes for extracellular matrix (ECM) proteins critical for chondrogenesis and osteogenesis. Several affected genes are involved in the human cartilage disorder Ehlers-Danlos Syndrome and other disorders associated with spinal curvature anomalies. Nell1(6R) mutant mice are a new tool for elucidating basic mechanisms in osteoblast and chrondrocyte differentiation in the developing skull and vertebral column and understanding how perturbations in the production of ECM proteins can lead to anomalies in these structures. C1 Oak Ridge Natl Lab, Div Life Sci, Oak Ridge, TN 37831 USA. Univ Tennessee, Oak Ridge Natl Lab, Grad Sch Genome Sci & Technol, Oak Ridge, TN 37831 USA. Appl Biosyst Inc, Foster City, CA 94404 USA. Univ Tennessee, Grad Sch Med, Knoxville, TN 37920 USA. Univ Tennessee, Dept Biochem Cellular & Mol Biol, Knoxville, TN 37996 USA. RP Culiat, CT (reprint author), Oak Ridge Natl Lab, Div Life Sci, POB 2008,Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM culiatct@ornl.gov NR 42 TC 53 Z9 56 U1 6 U2 14 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0964-6906 J9 HUM MOL GENET JI Hum. Mol. Genet. PD APR 15 PY 2006 VL 15 IS 8 BP 1329 EP 1341 DI 10.1093/hmg/ddl053 PG 13 WC Biochemistry & Molecular Biology; Genetics & Heredity SC Biochemistry & Molecular Biology; Genetics & Heredity GA 030DK UT WOS:000236613300009 PM 16537572 ER PT J AU Ahn, KH Lookman, T Bishop, AR AF Ahn, K. H. Lookman, T. Bishop, A. R. TI Model for strain-induced metal-insulator phase coexistence in colossal magnetoresistive perovskite manganites (invited) SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID TRANSITION; LA1-XCAXMNO3; PHYSICS; IMAGES AB There is considerable evidence from new generations of high resolution microscopies and scattering techniques for intrinsically multiscale structures and dynamics in complex transition-metal oxides. In particular, the coexistence of submicrometer-size insulating and metallic domains in the same sample of perovskite manganites is believed to be crucial to the understanding of colossal magnetoresistance in these materials, and has been a puzzle to both theorists and experimentalists. In this work, we demonstrate, using an atomic-scale description of lattice distortions and long-range strains, that the presence of multiple local energy minimum states with different distortions provides a natural mechanism for such multiphase coexistence within the same material. The framework provides a basis for engineering nanoscale patterns of metallic and insulating phases and understanding other novel features observed in manganites, such as precursor short-range ordering and quasielastic scattering near the phase-transition temperature, hysteretic and glassy dynamics, metastability, and photoinduced insulator-metal transition. (C) 2006 American Institute of Physics. C1 Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Ahn, KH (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. EM kenahn@aps.anl.gov OI Lookman, Turab/0000-0001-8122-5671 NR 30 TC 5 Z9 5 U1 1 U2 15 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2006 VL 99 IS 8 AR 08A703 DI 10.1063/1.2162337 PG 3 WC Physics, Applied SC Physics GA 040TV UT WOS:000237404200083 ER PT J AU Antropov, VP van Schilfgaarde, M Brink, S Xu, JL AF Antropov, VP van Schilfgaarde, M Brink, S Xu, JL TI On the calculation of exchange interactions in metals SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID MAGNETS AB We describe techniques to determine magnetic exchange parameters using modern band structure methods. The analytical and numerical implementations of the linear-response method are discussed. The applications of the presented technique have been done for 3d ferromagnets. Our results point out difficulties in defining a pairwise exchange coupling for itinerant magnets, while for systems with localized moments the traditional adiabatic approach is mostly valid. (C) 2006 American Institute of Physics. C1 Ames Lab, Ames, IA 50011 USA. Arizona State Univ, Tempe, AZ 85287 USA. RP Antropov, VP (reprint author), Ames Lab, Ames, IA 50011 USA. EM antropov@ameslab.gov NR 8 TC 11 Z9 11 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2006 VL 99 IS 8 AR 08F507 DI 10.1063/1.2176392 PG 3 WC Physics, Applied SC Physics GA 040TV UT WOS:000237404200319 ER PT J AU Bennett, LH Della Torre, E deWit, R Kahler, G Watson, RE AF Bennett, LH Della Torre, E deWit, R Kahler, G Watson, RE TI Field dependence of the barrier to magnetization reversal of a Stoner-Wohlfarth particle SO JOURNAL OF APPLIED PHYSICS LA English DT Article AB It is well known that the energy barrier for magnetization reversal, E-B, varies quadratically with the magnetic field for the Stoner-Wohlfarth model. However, the enthalpy H (switching energy) required to reverse the magnetization is the sum of E-B and the work W-f done by the Neel fluctuation field. The sum of these two terms gives an enthalpy of reversal. If the fluctuation field is uniaxial and parallel to the holding field, then the enthalpy barrier for switching is linear in the holding field. The linearity is consistent with certain experimental results. If the fluctuation field is anisotropic, then for the same size field, the probability of the particle's switching will depend upon the direction of that field. The paper discusses the holding field variation of the energy barrier for different fluctuation field directions. (C) 2006 American Institute of Physics. C1 George Washington Univ, Dept Elect & Comp Engn, Washington, DC 20052 USA. Natl Inst Stand & Technol, Gaithersburg, MD 20899 USA. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Bennett, LH (reprint author), George Washington Univ, Dept Elect & Comp Engn, Washington, DC 20052 USA. EM lbennett@gwu.edu NR 9 TC 2 Z9 2 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2006 VL 99 IS 8 AR 08K507 DI 10.1063/1.2177139 PG 3 WC Physics, Applied SC Physics GA 040TV UT WOS:000237404200493 ER PT J AU Bolte, M Eiselt, R Meier, G Kim, DH Fischer, P AF Bolte, M Eiselt, R Meier, G Kim, DH Fischer, P TI Real space observation of dipolar interaction in arrays of Fe microelements SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID X-RAY MICROSCOPY; MAGNETIC DOT ARRAYS; PARTICLE ARRAYS; SIMULATION; REVERSAL AB Square lattice arrays of thin microelements of Fe are investigated by magnetic transmission x-ray microscopy. The influence of dipole interaction is analyzed by varying the interelement distance. For comparison isolated elements are prepared on the same sample. The magnetostatic field caused by interelement interaction leads to a substantial stabilization of the elements in the center of the array comparable to the magnetization process previously found by numerical solution of the Landau-Lifshitz equation for magnetic dot arrays. Micromagnetic simulations show that for high field strengths the dipolar interaction is collinear with the external field while in the low-field regime the strayfields have significant perpendicular components leading to a complex reversal mechanism. (C) 2006 American Institute of Physics. C1 Univ Hamburg, Inst Angew Phys, D-20355 Hamburg, Germany. Univ Hamburg, Zentrum Mikrostrukturforsch, D-20355 Hamburg, Germany. Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. RP Bolte, M (reprint author), Univ Hamburg, Inst Angew Phys, Jungiusstr 11, D-20355 Hamburg, Germany. EM meier@physnet.uni-hamburg.de RI Bolte, Markus/A-6083-2009; Fischer, Peter/A-3020-2010; Kim, Dong-Hyun/F-7195-2012; MSD, Nanomag/F-6438-2012 OI Fischer, Peter/0000-0002-9824-9343; NR 17 TC 8 Z9 8 U1 1 U2 7 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2006 VL 99 IS 8 AR 08H301 DI 10.1063/1.2158387 PG 3 WC Physics, Applied SC Physics GA 040TV UT WOS:000237404200415 ER PT J AU Buchanan, KS Roy, PE Fradin, FY Guslienko, KY Grimsditch, M Bader, SD Novosad, V AF Buchanan, KS Roy, PE Fradin, FY Guslienko, KY Grimsditch, M Bader, SD Novosad, V TI Vortex dynamics in patterned ferromagnetic ellipses SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID STATE; PERMALLOY; FIELD; CORES; DISKS; DOTS AB The dynamics of individual magnetic vortices and vortex pairs confined in lithographically defined ferromagnetic ellipses were measured using a microwave reflection technique. Resonance frequencies were detected in the subgigahertz range for Ni80Fe20 (Permalloy) ellipses ranging in size from 3 by 1.5 mu m to 1 by 0.5 mu m, 40 nm in thickness. Micromagnetic simulations indicate that the single mode observed for one vortex is a translational mode and that the two eigenmodes associated with a vortex pair correspond to coupled translational modes of vortices with parallel or antiparallel core polarizations. The single-vortex resonance scales inversely with the ellipse size, in agreement with the simulations and analytical theory. (C) 2006 American Institute of Physics. C1 Argonne Natl Lab, Div Sci Mat, Argonne, IL 60439 USA. Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. Uppsala Univ, Dept Engn Sci, SE-75121 Uppsala, Sweden. RP Buchanan, KS (reprint author), Argonne Natl Lab, Div Sci Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. EM buchanan@anl.gov RI Bader, Samuel/A-2995-2013; Novosad, Valentyn/C-2018-2014; Novosad, V /J-4843-2015; OI Buchanan, Kristen/0000-0003-0879-0038 NR 19 TC 16 Z9 16 U1 0 U2 7 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2006 VL 99 IS 8 AR 08C707 DI 10.1063/1.2175602 PG 3 WC Physics, Applied SC Physics GA 040TV UT WOS:000237404200188 ER PT J AU Campillo, G Gomez, ME Berger, A Hoffmann, A Escudero, R Prieto, P AF Campillo, G Gomez, ME Berger, A Hoffmann, A Escudero, R Prieto, P TI Influence of ferromagnetic thickness on structural and magnetic properties of exchange-biased manganite superlattices SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID MULTILAYERS; MAGNETOTRANSPORT AB The structural and magnetic properties of superlattice structures of alternating ferromagnetic La2/3Ca1/3MnO3 (F-LCMO) and antiferromagnetic La1/3Ca2/3MnO3 (AF-LCMO) layers were systematically studied as functions of F-LCMO layer thickness, t(F). Samples were grown via a high-oxygen pressure sputtering process. Magnetic hysteresis measurements after field cooling revealed an exchange bias, H-ex, at low temperatures in such superlattices. We found a correlation of the structural and magnetic properties with t(F). In particular, we observed diminished resistance, increased metal-insulator transition temperature, T-MI, as well as increased Curie temperature with increasing t(F). Additionally, we found that the temperature dependence of H(ex)(*)t(F) for superlattices with the same antiferromagnetic layer thickness, t(AF), is a unique function and independent of t(F). We also find that the low-temperature saturation magnetization, M-S, follows a power-law dependence with temperature, according to M-0(1-BT alpha) with an exponent of alpha=2.5 +/- 0.2. (C) 2006 American Institute of Physics. C1 Univ Valle, Dept Phys, Cali 25360, Colombia. Hitachi Global Storage Technol, San Jose Res Ctr, San Jose, CA USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Univ Nacl Autonoma Mexico, Inst Invest Mat, Mexico City 04510, DF, Mexico. Univ Valle, Excellence Ctr Novel Mat, Cali 25360, Colombia. RP Campillo, G (reprint author), Univ Valle, Dept Phys, Cali 25360, Colombia. EM gcampil@calima.univalle.edu.co RI Campillo, Gloria/A-8299-2013; Hoffmann, Axel/A-8152-2009; Berger, Andreas/D-3706-2015 OI Hoffmann, Axel/0000-0002-1808-2767; Berger, Andreas/0000-0001-5865-6609 NR 11 TC 7 Z9 8 U1 1 U2 10 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2006 VL 99 IS 8 AR 08C106 DI 10.1063/1.2167047 PG 3 WC Physics, Applied SC Physics GA 040TV UT WOS:000237404200163 ER PT J AU Chernyshov, AS Mudryk, YS Pecharsky, VK Gschneidner, KA AF Chernyshov, A. S. Mudryk, Ya. S. Pecharsky, V. K. Gschneidner, K. A., Jr. TI Structural and magnetothermal properties of the Gd5SbxGe4-x system SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID TRANSFORMATION; GD-5(SI2GE2); TRANSITION AB The crystallographic and magnetic properties of the Gd5SbxGe4-x pseudobinary system were studied by x-ray powder diffraction at room temperature, and the heat capacity, magnetization, and electrical resistivity in the temperature interval 5-320 K in applied dc magnetic fields between 0 and 100 kOe. The Gd5Sb2.1Ge1.9 compound adopts the Tm5Sb2Si2-type structure (space group Cmca) and orders magnetically via a second order ferromagnetic-paramagnetic transition at 200 K, whereas the Gd5SbxGe4-x compounds with x=0.7 and x=1 crystallize in the Sm5Ge4-type structure (space group Pnma) and exhibit first order phase transformations at 45 and 37 K, respectively, and therefore, the giant magnetocaloric effect. The heat capacity and electrical resistivity measurements of Gd5Sb0.7Ge3.3 indicate a second order antiferromagnetic transition at 60 K in fields 20 kOe and lower. (C) 2006 American Institute of Physics. C1 Iowa State Univ, Ames Lab, Mat & Engn Phys Program, Ames, IA 50011 USA. Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Chernyshov, AS (reprint author), Iowa State Univ, Ames Lab, Mat & Engn Phys Program, Ames, IA 50011 USA. EM chernysh@iastate.edu NR 10 TC 7 Z9 7 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2006 VL 99 IS 8 AR 08Q102 DI 10.1063/1.2150811 PG 3 WC Physics, Applied SC Physics GA 040TV UT WOS:000237404200662 ER PT J AU Chou, KW Puzic, A Stoll, H Schutz, G Van Waeyenberge, B Tyliszczak, T Rott, K Reiss, G Bruckl, H Neudecker, I Weiss, D Back, CH AF Chou, KW Puzic, A Stoll, H Schutz, G Van Waeyenberge, B Tyliszczak, T Rott, K Reiss, G Bruckl, H Neudecker, I Weiss, D Back, CH TI Vortex dynamics in coupled ferromagnetic multilayer structures SO JOURNAL OF APPLIED PHYSICS LA English DT Article AB Magnetization dynamics in ferromagnetic multilayer structures was studied by time-resolved transmission x-ray microscopy. A square-shaped 1x1 mu m(2) trilayer structure consisting of Co(20 nm)/Cu(10 nm)/Permalloy Ni80Fe20(20 nm) was investigated. Each ferromagnetic layer showed a Landau-like domain configuration with a single vortex. A gyrotropic vortex motion was excited by an in-plane magnetic field alternating at a frequency of 250 MHz. The movement of the magnetic vortex in each individual magnetic layer was imaged by taking advantage of the element specificity of the x-ray magnetic circular dichroism. A 180 degrees phase shift between the gyrotropic vortex motion in the Permalloy and the Co layer was observed. This phase shift can be ascribed to the magnetic coupling between the layers. (C) 2006 American Institute of Physics. C1 Max Planck Inst Met Res, D-70569 Stuttgart, Germany. Univ Ghent, Dept Subatom & Radiat Phys, B-9000 Ghent, Belgium. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. Univ Bielefeld, Fak Phys, D-33501 Bielefeld, Germany. Tech Gate, Nano Syst Technol, ARCS, A-1220 Vienna, Austria. Univ Regensburg, D-93053 Regensburg, Germany. RP Chou, KW (reprint author), Max Planck Inst Met Res, D-70569 Stuttgart, Germany. EM chou@mf.mpg.de RI Reiss, Gunter/A-3423-2010; Weiss, Dieter/G-4883-2016; Back, Christian/A-8969-2012 OI Reiss, Gunter/0000-0002-0918-5940; Weiss, Dieter/0000-0002-9630-9787; Back, Christian/0000-0003-3840-0993 NR 7 TC 40 Z9 41 U1 0 U2 12 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2006 VL 99 IS 8 AR 08F305 DI 10.1063/1.2173630 PG 3 WC Physics, Applied SC Physics GA 040TV UT WOS:000237404200309 ER PT J AU dela Cruz, CR Yen, F Lorenz, B Park, S Cheong, SW Gospodinov, MM Ratcliff, W Lynn, JW Chu, CW AF dela Cruz, C. R. Yen, F. Lorenz, B. Park, S. Cheong, S. -W. Gospodinov, M. M. Ratcliff, W. Lynn, J. W. Chu, C. W. TI Evidence for strong spin-lattice coupling in multiferroic RMn2O5 (R=Tb,Dy,Ho) via thermal expansion anomalies SO JOURNAL OF APPLIED PHYSICS LA English DT Article AB Thermal expansion measurements were done on single-crystal RMn2O5 (R=Tb,Dy,Ho) along the principal crystallographic axes. Distinctive anomalies were observed in the linear thermal expansivities at critical temperatures marking the onset of long-range antiferromagnetic order (T-N1), ferroelectricity (T-C1), as well as at temperatures when anomalous changes in the polarization, dielectric constant, and spin wave incommensurability have been previously reported. These observations suggest that the coupling between the magnetic orders and the dielectric properties is mediated by the lattice distortion. In particular, a possible scenario as to how ferroelectricity arises and subsequently is altered as a result of the subtle changes in the highly frustrated magnetic order, is discussed in the light of the strong spin-lattice coupling observed in these materials. Neutron diffraction measurements on HoMn2O5 show a spin reorientation at 23 K corresponding to a step-like anomaly in the dielectric constant. (C) 2006 American Institute of Physics. C1 Univ Houston, TCSUH, Houston, TX 77204 USA. Univ Houston, Dept Phys, Houston, TX 77204 USA. Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. Rutgers State Univ, Rutgers Ctr Emergent Mat, Piscataway, NJ 08854 USA. Bulgarian Acad Sci, Inst Solid State Phys, BU-1784 Sofia, Bulgaria. NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Hong Kong Univ Sci & Technol, Hong Kong, Hong Kong, Peoples R China. RP dela Cruz, CR (reprint author), Univ Houston, TCSUH, Houston, TX 77204 USA. EM crdelacruz@uh.edu RI dela Cruz, Clarina/C-2747-2013; Yen, Fei/C-8713-2015 OI dela Cruz, Clarina/0000-0003-4233-2145; Yen, Fei/0000-0003-2295-3040 NR 10 TC 10 Z9 10 U1 2 U2 13 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2006 VL 99 IS 8 AR 08R103 DI 10.1063/1.2165586 PG 3 WC Physics, Applied SC Physics GA 040TV UT WOS:000237404200716 ER PT J AU El-Khatib, S Llobet, A Purwanto, A Robinson, RA Lee, SH Lynn, JW Chang, S Nakotte, H AF El-Khatib, S Llobet, A Purwanto, A Robinson, RA Lee, SH Lynn, JW Chang, S Nakotte, H TI Magnetic structures in UCuSn SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID UPDSN AB We report neutron-diffraction results on UCuSn which crystallizes in the orthorhombic P2(1)cn structure. This compound undergoes two magnetic transitions around T-N=62 K and T-M=25 K. At T=52 K, UCuSn exhibits a noncollinear arrangement of uranium moments of similar to 1.5 mu(B)/U-atom with components in all three principal directions. Our diffraction data provide further evidence that the transition around 25 K is indeed magnetic in origin, although our refinements did not lead to a conclusive answer on its exact nature. (C) 2006 American Institute of Physics. C1 Los Alamos Natl Lab, LANSCE LC, Los Alamos, NM 87545 USA. BATAN, Neutron Scattering Lab, Serpong 15314, Tangerang, Indonesia. Australian Nucl Sci & Technol Org, Bragg Inst, Menai, NSW 2234, Australia. Univ Virginia, Dept Phys, Charlottesville, VA 22904 USA. Natl Inst Stand & Technol, NIST Ctr Neutron Res, Gaithersburg, MD 20899 USA. Ames Lab, Ames, IA 50011 USA. New Mexico State Univ, Dept Phys, Las Cruces, NM 88003 USA. RP El-Khatib, S (reprint author), Los Alamos Natl Lab, LANSCE LC, POB 1663, Los Alamos, NM 87545 USA. EM selkhati@nmsu.edu RI Llobet, Anna/B-1672-2010; Lujan Center, LANL/G-4896-2012 NR 9 TC 1 Z9 1 U1 1 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2006 VL 99 IS 8 AR 08P704 DI 10.1063/1.2177409 PG 3 WC Physics, Applied SC Physics GA 040TV UT WOS:000237404200654 ER PT J AU Fassbender, J Bischoff, L Mattheis, R Fischer, P AF Fassbender, J Bischoff, L Mattheis, R Fischer, P TI Magnetic domains and magnetization reversal of ion-induced magnetically patterned Ruderman-Kittel-Kasuya-Yoshida-coupled Ni81Fe19/Ru/Co90Fe10 films SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID EXCHANGE BIAS BILAYERS; X-RAY MICROSCOPY; SPATIAL-RESOLUTION; IRRADIATION; MEDIA; MULTILAYERS; BEAM AB Pure magnetic patterning by means of ion-beam irradiation of magnetic thin films and multilayers often results from a postdeposition local modification of the interface structure with only minor effects on the film topography. In the study presented here a 60 keV fine-focused Co ion beam was used to change the coupling in a Ni81Fe19/Ru/Co90Fe10 structure from antiferromagnetic to ferromagnetic on a micron scale. Thereby an artificial structure with locally varying interlayer exchange coupling and therefore magnetization alignment is produced. High-resolution full-field x-ray microscopy is used to determine the magnetic domain configuration during the magnetization reversal process locally and layer resolved due to the element-specific contrast in circular x-ray dichroism. In the magnetically patterned structure there is, in addition to the locally varying interlayer exchange coupling across the Ru layer, also the direct exchange coupling within each ferromagnetic layer present. Therefore the magnetization reversal behavior of the irradiated stripes is largely influenced by the surrounding magnetic film. (C) 2006 American Institute of Physics. C1 Rossendorf Inc, Forschungszentrum Rossendorf EV, Inst Ion Beam Phys & Mat Res, D-01314 Dresden, Germany. Inst Phys High Technol, D-07745 Jena, Germany. Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. RP Fassbender, J (reprint author), Rossendorf Inc, Forschungszentrum Rossendorf EV, Inst Ion Beam Phys & Mat Res, D-01314 Dresden, Germany. EM j.fassbender@fz-rossendorf.de RI Fassbender, Juergen/A-8664-2008; Fischer, Peter/A-3020-2010; MSD, Nanomag/F-6438-2012 OI Fassbender, Juergen/0000-0003-3893-9630; Fischer, Peter/0000-0002-9824-9343; NR 22 TC 8 Z9 8 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2006 VL 99 IS 8 AR 08G301 DI 10.1063/1.2158967 PG 3 WC Physics, Applied SC Physics GA 040TV UT WOS:000237404200351 ER PT J AU Gillaspie, D Ma, JX Zhai, HY Ward, TZ Christen, HM Plummer, EW Shen, J AF Gillaspie, D Ma, JX Zhai, HY Ward, TZ Christen, HM Plummer, EW Shen, J TI Influence of different substrates on phase separation in La1-x-yPryCaxMnO3 thin films SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID LA0.67CA0.33MNO3 FILMS; MANGANITES AB Large scale phase separation between ferromagnetic metallic and charge-ordered insulating states in La1-x-yPryCaxMnO3 (LPCMO) crystals and thin films is very sensitive to structural and magnetic changes and is responsible for the enhanced magnetoresistance in LPCMO compared to its parent compounds. By epitaxially growing LPCMO thin films on different substrates, the strain on the LPCMO thin films can be changed, thereby controlling the energy balance between the two phases. LPCMO films of several different thicknesses have been grown on NdGaO3 (NGO), SrTiO3 (STO), SrLaGaO4 (SLGO), and LaAlO3 (LAO) substrates. The compressive strain from the LAO and SLGO substrates suppresses the long-range charge ordering in these samples and enhances magnetoresistance and magnetic hystereses. Conversely, the tensile strain from the STO and NGO substrates enhances the long-range charge ordering and reduces the magnetoresistance and magnetic hystereses. (C) 2006 American Institute of Physics. C1 Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. RP Gillaspie, D (reprint author), Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. EM dtg@utk.edu RI Gillaspie, Dane/E-2731-2010; Christen, Hans/H-6551-2013; Ward, Thomas/I-6636-2016 OI Christen, Hans/0000-0001-8187-7469; Ward, Thomas/0000-0002-1027-9186 NR 8 TC 34 Z9 35 U1 0 U2 20 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2006 VL 99 IS 8 AR 08S901 DI 10.1063/1.2162050 PG 3 WC Physics, Applied SC Physics GA 040TV UT WOS:000237404200789 ER PT J AU Goncharov, AV Zhukov, AA Metlushko, VV Bordignon, G Fangohr, H Karapetrov, G Ilic, B de Groot, PAJ AF Goncharov, AV Zhukov, AA Metlushko, VV Bordignon, G Fangohr, H Karapetrov, G Ilic, B de Groot, PAJ TI In-plane anisotropy of coercive field in permalloy square ring arrays SO JOURNAL OF APPLIED PHYSICS LA English DT Article AB Magnetic ring arrays are promising candidates for application in magnetic random access memory devices. The magnetic reversal processes and anisotropy of the coercivity in arrays of square-shaped nanorings with different spacings were investigated by vector magneto-optical Kerr effect magnetometry, magnetic force microscopy, and micromagnetic simulations. Two-step magnetization reversal demonstrates fourfold symmetry in the film plane resulting from the shape anisotropy in rings. Our numerical simulations show good agreement with the experiment. (C) 2006 American Institute of Physics. C1 Univ Southampton, Sch Phys & Astron, Southampton SO17 1BJ, Hants, England. Univ Illinois, Dept Elect & Comp Engn, Chicago, IL 60607 USA. Univ Southampton, Sch Engn Sci, Southampton SO17 1BJ, Hants, England. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Cornell Univ, Cornell Nanofabricat Facil, Ithaca, NY 14853 USA. Cornell Univ, Sch Appl & Engn Phys, Ithaca, NY 14853 USA. RP Goncharov, AV (reprint author), Univ Southampton, Sch Phys & Astron, Southampton SO17 1BJ, Hants, England. EM aaz@phys.soton.ac.uk RI Fangohr, Hans/C-6367-2008; Zhukov, Alexander/E-1331-2014; Ilic, Rob/N-1359-2014; Karapetrov, Goran/C-2840-2008 OI Fangohr, Hans/0000-0001-5494-7193; Karapetrov, Goran/0000-0003-1113-0137 NR 9 TC 2 Z9 2 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2006 VL 99 IS 8 AR 08Q508 DI 10.1063/1.2171949 PG 3 WC Physics, Applied SC Physics GA 040TV UT WOS:000237404200695 ER PT J AU Griffin, KA Varela, M Pennycook, SJ Pakhomov, AB Krishnan, KM AF Griffin, KA Varela, M Pennycook, SJ Pakhomov, AB Krishnan, KM TI Atomic-scale studies of cobalt distribution in Co-TiO2 anatase thin films: Processing, microstructure, and the origin of ferromagnetism SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID ROOM-TEMPERATURE FERROMAGNETISM; DOPED TIO2 ANATASE; MAGNETIC SEMICONDUCTORS; SPECTROSCOPY; OXIDES AB Using high-resolution, aberration-corrected, scanning transmission electron microscopy and electron-energy-loss spectroscopy we show that in films of single-phase anatase Co:TiO2, the Co distribution and magnetic properties are strongly dependent both on the overall crystalline quality and postgrowth vacuum annealing process. The Co:TiO2 films are coherent, epitaxial anatase with no secondary phases or metallic Co. Films of lower crystalline quality reveal a relatively homogeneous Co concentration, while films of higher crystalline quality show a tendency for Co enrichment near the surface region, around grain boundaries, and the substrate interface. Both uniform and nonuniform samples show a notable enhancement in the saturation magnetization with annealing, while the coercive field is considerably higher in the samples with uniform Co distribution. These experiments confirm that films of single-phase anatase Co:TiO2 with both uniform and nonuniform Co distributions exhibit room-temperature ferromagnetism in the insulating ground state, while the compositional uniformity and film microstructure play a role in the bulk magnetic properties of the material and the mechanisms for ferromagnetic ordering. (C) 2006 American Institute of Physics. C1 Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98195 USA. Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. RP Krishnan, KM (reprint author), Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98195 USA. EM kannanmk@u.washington.edu RI Varela, Maria/H-2648-2012; Varela, Maria/E-2472-2014 OI Varela, Maria/0000-0002-6582-7004 NR 25 TC 17 Z9 17 U1 1 U2 11 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2006 VL 99 IS 8 AR 08M114 DI 10.1063/1.2170068 PG 3 WC Physics, Applied SC Physics GA 040TV UT WOS:000237404200523 ER PT J AU Guan, Y Bailey, WE Kao, CC Vescovo, E Arena, DA AF Guan, Y Bailey, WE Kao, CC Vescovo, E Arena, DA TI Comparison of time-resolved x-ray magnetic circular dichroism measurements in reflection and transmission for layer-specific precessional dynamics measurements SO JOURNAL OF APPLIED PHYSICS LA English DT Article AB We present experimental techniques to measure magnetization precession of individual layers in a "spin-valve" trilayer. Precessional motions of individual Ni81Fe19 and Co93Zr7 layers have been separated in Ni81Fe19/Cu/Co93Zr7 using +/- 45 ps time-resolved x-ray magnetic circular dichroism (tr-XMCD) at Fe and Co edges. We compare the efficacy of two experimental configurations in this paper. Pulsed-field tr-XMCD measurements in reflectivity are compared with resonant-field tr-XMCD measurements in transmission. Despite the order of magnitude larger angles of precession excited in pulsed-field reflectivity measurements, data quality is found to be superior in resonant-field transmission measurements. Relative roles of sample preparation and timing jitter in the different techniques are discussed. (C) 2006 American Institute of Physics. C1 Columbia Univ, Dept Appl Phys, Mat Sci Program, New York, NY 10027 USA. Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. RP Guan, Y (reprint author), Columbia Univ, Dept Appl Phys, Mat Sci Program, New York, NY 10027 USA. EM yg2111@columbia.edu NR 6 TC 11 Z9 11 U1 1 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2006 VL 99 IS 8 AR 08J305 DI 10.1063/1.2167632 PG 3 WC Physics, Applied SC Physics GA 040TV UT WOS:000237404200462 ER PT J AU Han, KH Kim, BJ Suh, BJ Belesi, M Moon, D Lee, K Lah, MS AF Han, KH Kim, BJ Suh, BJ Belesi, M Moon, D Lee, K Lah, MS TI Magnetic properties of hexanuclear manganese antiferromagnetic clusters {Mn6} SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID SPIN DYNAMICS; NUCLEARITY; H-1-NMR; RINGS; SIZE AB We report a study of magnetic properties of a series of hexanuclear manganese metallamacrocycles {Mn6}. The magnetic properties are characterized by antiferromagnetic (AFM) coupling constants J(1)/k(B)approximate to-4.0 K, between the nearest neighbors, and J(2)/k(B)approximate to-1.2 K, between the next-nearest neighbors. The temperature dependence of H-1 NMR linewidth is observed to be consistent with the AFM singlet ground state with a total spin S-T=0. H-1 nuclear spin-lattice relaxation rate 1/T-1 shows a strong enhancement at low temperatures with a peak around T approximate to J(1), as commonly observed in AFM molecular rings and clusters. (C) 2006 American Institute of Physics. C1 Catholic Univ Korea, Dept Phys, Puchon 420743, South Korea. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. Hanyang Univ, Dept Chem & Appl Chem, Ansan 426791, South Korea. RP Suh, BJ (reprint author), Catholic Univ Korea, Dept Phys, Puchon 420743, South Korea. EM bjsuh@catholic.ac.kr RI Belesi, Maria Eleni/A-5717-2009; Lah, Myoung Soo/E-5885-2010 NR 12 TC 0 Z9 0 U1 1 U2 6 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2006 VL 99 IS 8 AR 08J507 DI 10.1063/1.2169572 PG 3 WC Physics, Applied SC Physics GA 040TV UT WOS:000237404200475 ER PT J AU Hays, J Thurber, A Reddy, KM Punnoose, A Engelhard, MH AF Hays, J Thurber, A Reddy, KM Punnoose, A Engelhard, MH TI Development and processing temperature dependence of ferromagnetism in Zn0.98Co0.02O SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID DILUTED MAGNETIC SEMICONDUCTOR; THIN-FILMS; DOPED ZNO; ZINC-OXIDE; TRANSITION AB We report the development of room-temperature ferromagnetism (FM), with coercivity H-c=2000 Oe and saturation magnetization M-s similar to 0.01 emu/g, in chemically synthesized powders of Zn0.98Co0.02O processed at 150 degrees C, and paramagnetism with antiferromagnetic interactions between the Co2+ spins (S=3/2) in samples processed at higher temperatures 200 <= T-P <= 900 degrees C. X-ray diffraction data show a decrease in the lattice parameters a and c with T-P, indicating a progressive incorporation of 0.58 angstrom sized tetrahedral Co2+ at the substitutional sites of 0.60 angstrom sized Zn2+. Diffuse reflectance spectra show three well defined absorption edges at 660, 615, and 568 nm due to the d-d crystal field transitions (4)A(2)(F)-> E-2(G),(4)A(2)(F)-> T-4(1)(P), and (4)A(2)(F)-> T-2(1)(G) of high spin (S=3/2)Co2+ in a tetrahedral crystal field, whose intensities increase with processing temperature. X-ray photoelectron spectroscopy shows that the doped Co2+ ions in the 150 degrees C processed samples are located mostly on the surface of the particles and they disperse into the entire volume of the particles when processed at higher temperatures. The observations suggest that the FM most likely results from Co2+ attached to the surface sites and it is lost in well dispersed samples formed at T-P>150 degrees C. (C) 2006 American Institute of Physics. C1 Boise State Univ, Dept Phys, Boise, ID 83725 USA. Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Punnoose, A (reprint author), Boise State Univ, Dept Phys, Boise, ID 83725 USA. EM apunnoos@boisestate.edu RI Engelhard, Mark/F-1317-2010; OI Engelhard, Mark/0000-0002-5543-0812 NR 21 TC 20 Z9 20 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2006 VL 99 IS 8 AR 08M123 DI 10.1063/1.2173956 PG 3 WC Physics, Applied SC Physics GA 040TV UT WOS:000237404200532 ER PT J AU Hellwig, O Eisebitt, S Eberhardt, W Schlotter, WF Luning, J Stohr, J AF Hellwig, O Eisebitt, S Eberhardt, W Schlotter, WF Luning, J Stohr, J TI Magnetic imaging with soft x-ray spectroholography SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID RECORDING MEDIA; SCATTERING; MULTILAYERS AB We present recent advances in imaging magnetic nanostructures via lensless holographic x-ray techniques. In addition to the tunable energy and polarization this method also uses the coherent photon flux that is now available at third generation synchrotron radiation sources. Our spectroscopic imaging technique is based on the direct Fourier inversion of a holographically formed interference pattern, thus we refer to it as spectroholography. By exploiting the magnetic dichroism in resonance at the L-3 absorption edges of the magnetic transition metals (wavelength of similar to 1-2 nm and energy of similar to 700-900 eV), images of magnetic nanostructures have been obtained with a spatial resolution below 50 nm. Using Si3N4-membrane substrates we combine in our experimental setup the sample itself rigidly with the holographic mask structure consisting of an 800 nm gold layer with a micronsized object aperture and a nanosized reference hole on the backside of the membrane. Such a compact implementation leaves plenty of space for installing extreme sample environments such as high magnetic fields and low temperatures that are difficult to combine with conventional x-ray imaging techniques based on focusing optics. (C) 2006 American Institute of Physics. C1 BESSY GmbH, D-12489 Berlin, Germany. Hitachi Global Storage Technol, San Jose Res Ctr, San Jose, CA 95120 USA. Stanford Linear Accelerator Ctr, SSRL, Menlo Pk, CA 94025 USA. Stanford Univ, Dept Appl Phys, Stanford, CA 94305 USA. RP Hellwig, O (reprint author), BESSY GmbH, Albert Einstein Str 15, D-12489 Berlin, Germany. EM olav.hellwig@hitachigst.com NR 17 TC 26 Z9 26 U1 1 U2 9 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2006 VL 99 IS 8 AR 08H307 DI 10.1063/1.2165925 PG 3 WC Physics, Applied SC Physics GA 040TV UT WOS:000237404200421 ER PT J AU Hsiao, AC Lewis, LH Kang, K Moodenbaugh, AR AF Hsiao, AC Lewis, LH Kang, K Moodenbaugh, AR TI Magnetism and metastability of melt-spun Pd-40(Fe,Ni)(40)P-20 metallic glass SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID FE-P ALLOYS; CRYSTAL NUCLEATION AB The magnetic character of Pd40FexNi40-xP20, a metallic glass where x=17.5, is experimentally studied over a temperature range of 10-375 K. Hysteresis and temperature-dependent magnetization measurements derived from superconducting quantum interference device magnetometry on the amorphous alloy provide insight into the role of applied magnetic field on magnetic phase formation during the nanocrystallization process. Specifically, the microstructure of the melt-spun form of Pd-40(Fe,Ni)(40)P-20 is discussed in correlation to the observed superparamagnetic and spin-glass behavior. Despite the extremely high quenching rate used to synthesize the alloy, this composition shows evidence of chemical segregation on the nanoscale in the as-solidified state. (C) 2006 American Institute of Physics. C1 Union Coll, Dept Mech Engn, Schenectady, NY 12308 USA. Brookhaven Natl Lab, Dept Mat Sci, Upton, NY 11973 USA. RP Hsiao, AC (reprint author), Union Coll, Dept Mech Engn, Schenectady, NY 12308 USA. EM hsiaoa@union.edu NR 12 TC 11 Z9 11 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2006 VL 99 IS 8 AR 08F117 DI 10.1063/1.2170979 PG 3 WC Physics, Applied SC Physics GA 040TV UT WOS:000237404200304 ER PT J AU Kang, KH Lewis, LH Hu, YF Li, Q Moodenbaugh, AR Choi, YS AF Kang, KH Lewis, LH Hu, YF Li, Q Moodenbaugh, AR Choi, YS TI Magnetic and transport properties of MnBi/Bi nanocomposites SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID LARGE MAGNETORESISTANCE; NEUTRON DIFFRACTION; THIN-FILMS; BI AB The magnetic and transport properties of a nanostructured Mn-Bi eutectic composition (similar to Mn5Bi95) produced by melt spinning and low-temperature/short time vacuum annealing were studied. A hysteretic magnetostructural transformation from low-temperature phase to high-temperature phase MnBi is confirmed at 520 K. The fact that the transition temperature is lower than that reported for bulk MnBi (633 K), is tentatively attributed to interfacial strain between MnBi and the Bi matrix. A positive temperature coefficient of coercivity is confirmed in the nanocomposites, with a maximum coercivity value of 36 kOe at 500 K. Magnetic field annealing the as-spun composites (525 K at 10 kOe) produces nanoparticle alignment. Annealed MnBi/Bi composites have a very large ordinary magnetoresistance (MR) ratio normal to the ribbon at 5 T, 275% at room temperature and 10 000% at 5 K. (C) 2006 American Institute of Physics. C1 Brookhaven Natl Lab, Dept Mat Sci, Upton, NY 11973 USA. Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Kang, KH (reprint author), Brookhaven Natl Lab, Dept Mat Sci, Upton, NY 11973 USA. EM lhlewis@bnl.gov OI Moodenbaugh, Arnold/0000-0002-3415-6762 NR 18 TC 6 Z9 6 U1 2 U2 27 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2006 VL 99 IS 8 AR 08N703 DI 10.1063/1.2158692 PG 3 WC Physics, Applied SC Physics GA 040TV UT WOS:000237404200612 ER PT J AU Kang, SS Jia, Z Zoto, I Reed, D Nikles, DE Harrell, JW Thompson, G Mankey, G Krishnamurthy, VV Porcar, L AF Kang, SS Jia, Z Zoto, I Reed, D Nikles, DE Harrell, JW Thompson, G Mankey, G Krishnamurthy, VV Porcar, L TI Sintering behavior of spin-coated FePt and FePtAu nanoparticles SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID MAGNETIC-PROPERTIES AB FePt and [FePt](95)Au-5 nanoparticles with an average size of about 4 nm were chemically synthesized and spin coated onto silicon substrates. Samples were subsequently thermally annealed at temperatures ranging from 250 to 500 degrees C for 30 min. Three-dimensional structural characterization was carried out with small-angle neutron scattering (SANS) and small-angle x-ray diffraction (SAXRD) measurements. For both FePt and [FePt](95)Au-5 particles before annealing, SANS measurements gave an in-plane coherence length parameter a=7.3 nm, while SAXRD measurements gave a perpendicular coherence length parameter c=12.0 nm. The ratio of c/a is about 1.64, indicating the as-made particle array has a hexagonal close-packed superstructure. For both FePt and FePtAu nanoparticles, the diffraction peaks shifted to higher angles and broadened with increasing annealing temperature. This effect corresponds to a shrinking of the nanoparticle array, followed by agglomeration and sintering of the nanoparticles, resulting in the eventual loss of positional order with increasing annealing temperature. The effect is more pronounced for FePtAu than for FePt. Dynamic coercivity measurements show that the FePtAu nanoparticles have both higher intrinsic coercivity and higher switching volume at the same annealing temperature. These results are consistent with previous studies that show that additive Au both lowers the chemical ordering temperature and promotes sintering. (C) 2006 American Institute of Physics. C1 Univ Alabama, Ctr Mat Informat Technol, Tuscaloosa, AL 35487 USA. Oak Ridge Natl Lab, Ctr Neutron Scattering, Oak Ridge, TN 37831 USA. Natl Inst Stand & Technol, Ctr Neutron Res, Gaithersburg, MD 20899 USA. RP Kang, SS (reprint author), Univ Alabama, Ctr Mat Informat Technol, Tuscaloosa, AL 35487 USA. EM skang@mint.ua.edu RI Kang, Shishou/E-5042-2010; Jia, Zhiyong/B-2143-2010; Mankey, Gary/G-9110-2011 OI Jia, Zhiyong/0000-0002-0116-7166; Mankey, Gary/0000-0003-3163-5159 NR 9 TC 4 Z9 4 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2006 VL 99 IS 8 AR 08N704 DI 10.1063/1.2165789 PG 3 WC Physics, Applied SC Physics GA 040TV UT WOS:000237404200613 ER PT J AU Kim, DH Fischer, P Chao, WL Anderson, E Im, MY Shin, SC Choe, SB AF Kim, DH Fischer, P Chao, WL Anderson, E Im, MY Shin, SC Choe, SB TI Magnetic soft x-ray microscopy at 15 nm resolution probing nanoscale local magnetic hysteresis (invited) SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID SPATIAL-RESOLUTION; SCALE; DYNAMICS; REVERSAL; FILMS AB Recent progress in x-ray optics has pushed the lateral resolution of soft x-ray magnetic microscopy to below 15 nm. We have measured local magnetic hysteresis on a nanometer scale at the full-field x-ray microscope XM-1 at the Advanced Light Source in Berkeley, approaching fundamental length scales such as exchange lengths, Barkhausen lengths, and grain diameters. We have studied the evolution of magnetic domain patterns in a nanogranular CoCrPt film with a pronounced perpendicular magnetic anisotropy and revealed nanoscopic details associated with the granular film structure. From a quantitative analysis of the field-dependent magnetic domain patterns, we are able to generate local magnetic hysteresis map on a nanometer scale. Our findings indicate a significant variation of local coercive fields corresponding to the nanoscopic behavior of magnetic domains. (C) 2006 American Institute of Physics. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. Korea Adv Inst Sci & Technol, Dept Phys, Taejon 305701, South Korea. Seoul Natl Univ, Dept Phys, Seoul 151742, South Korea. RP Kim, DH (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. EM pjfischer@lbl.gpv RI Fischer, Peter/A-3020-2010; Shin, Sung-Chul/C-1992-2011; Kim, Dong-Hyun/F-7195-2012; MSD, Nanomag/F-6438-2012 OI Fischer, Peter/0000-0002-9824-9343; NR 13 TC 34 Z9 35 U1 0 U2 7 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2006 VL 99 IS 8 AR 08H303 DI 10.1063/1.2167060 PG 3 WC Physics, Applied SC Physics GA 040TV UT WOS:000237404200417 ER PT J AU Kim, JY Park, JG Cho, BK Janssen, Y AF Kim, JY Park, JG Cho, BK Janssen, Y TI Magnetic and electronic anisotropy in single crystalline YMn4Al8 SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID RARE-EARTH; SYSTEMS; METAL; MN; FE; LA AB On a single crystal of YMn4Al8, we investigated specific heat and temperature-dependent magnetization M(T) and resistivity rho(T) with field and current, respectively, parallel and perpendicular to the c axis. A few features are observed on single crystals and not on polycrystalline samples. While we found no noticeable anisotropy in M(T), there is a significant anisotropy in rho(T), i.e., rho(parallel to)(T)>rho(perpendicular to)(T) for T>43 K and rho(parallel to)(T)0.7 are magnetically ordered at room temperature with orthorhombic symmetry (Pbnm). When x < 0.3 the structure is rhombohedral and magnetically disordered above 16 K. The majority carriers, electron holes, correspond to high oxidation states of Mn. The carrier concentration is determined from the Seebeck coefficients, and is a function of temperature and Fe concentration. The measurements of conductivity and Seebeck coefficients show polaron hopping at elevated temperatures. (C) 2006 American Institute of Physics. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Univ Missouri, Dept Phys, Columbia, MO 65211 USA. Univ Missouri, Grad Ctr Mat Res, Rolla, MO 65401 USA. Peking Univ, Sch Phys, Beijing 100871, Peoples R China. RP Zhou, XD (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM zhou@umr.edu NR 18 TC 22 Z9 23 U1 0 U2 9 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2006 VL 99 IS 8 AR 08M918 DI 10.1063/1.2176389 PG 3 WC Physics, Applied SC Physics GA 040TV UT WOS:000237404200584 ER PT J AU Zou, M Tang, H Schlagel, DL Lograsso, TA Gschneidner, KA Pecharsky, VK AF Zou, M Tang, H Schlagel, DL Lograsso, TA Gschneidner, KA Pecharsky, VK TI Spontaneous generation of voltage in single-crystal Gd5Si2Ge2 during magnetostructural phase transformations SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID MAGNETIC-FIELD; GIANT MAGNETORESISTANCE; ELECTRICAL-RESISTANCE; 1ST-ORDER TRANSITION; TEMPERATURE; GD-5(SI2GE2); GD-5(SIXGE1-X)(4); GD-5(SI1.8GE2.2); BEHAVIOR AB The spontaneous generation of voltage (SGV) in single-crystal and polycrystalline Gd5Si2Ge2 during the coupled magnetostructural transformation has been examined. Our experiments show reversible, measurable, and repeatable SGV responses of the materials to the temperature and magnetic field. The parameters of the response and the magnitude of the signal are anisotropic and rate dependent. The magnitude of the SGV signal and the critical temperatures and critical magnetic fields at which the SGV occurs vary with the rate of temperature and magnetic-field changes. (C) 2006 American Institute of Physics. C1 Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. Iowa State Univ, Ctr Nondestruct Evaluat, Ames, IA 50011 USA. RP Zou, M (reprint author), Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. EM zoumin@iastate.edu NR 22 TC 5 Z9 6 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD APR 15 PY 2006 VL 99 IS 8 AR 08B304 DI 10.1063/1.2162027 PG 3 WC Physics, Applied SC Physics GA 040TV UT WOS:000237404200098 ER PT J AU Teng, J Liu, S AF Teng, J Liu, S TI Re-determination of succinonitrile (SCN)-camphor phase diagram SO JOURNAL OF CRYSTAL GROWTH LA English DT Article DE directional solidification; eutectics; phase diagrams; succinonitrile-camphor binary system ID EUTECTIC ORGANIC ALLOYS; UNIDIRECTIONAL SOLIDIFICATION; THERMODYNAMIC DESCRIPTION; CAMPHOR; GROWTH; SYSTEMS AB Low-melting temperature transparent organic materials have been extensively used to study the pattern formation and microstructure evolution. It proves to be very challenging to accurately determine the phase diagram since there is no viable way to measure the composition microscopically. In this paper, we presented the detailed experimental characterization of the phase diagram of succinonitrile (SCN)-camphor binary system. Differential scanning calorimetry, a ring-heater, and the directional solidification technique have been combined to determine the details of the phase diagram by using the purified materials. The advantages and disadvantages have been discussed for the different experimental techniques. SCN and camphor constitute a simple binary eutectic system with the eutectic composition at 23.6 wt% camphor and eutectic temperature at 37.65 degrees C. The solidus and the solubility of the SCN base solid solution have been precisely determined for the first time in this binary system. Published by Elsevier B.V. C1 Iowa State Univ, Ames Lab, Mat & Engn Phys Program, USDOE, Ames, IA 50011 USA. Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Liu, S (reprint author), Iowa State Univ, Ames Lab, Mat & Engn Phys Program, USDOE, Ames, IA 50011 USA. EM shanliu@ameslab.gov RI Teng, Jing/D-2970-2009 NR 20 TC 23 Z9 25 U1 1 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-0248 J9 J CRYST GROWTH JI J. Cryst. Growth PD APR 15 PY 2006 VL 290 IS 1 BP 248 EP 257 DI 10.1016/j.jcrysgro.2005.12.087 PG 10 WC Crystallography; Materials Science, Multidisciplinary; Physics, Applied SC Crystallography; Materials Science; Physics GA 030TD UT WOS:000236656600044 ER PT J AU Fei, YT Chai, BHT Ebbers, CA Liao, ZM Schaffers, KI Thelin, P AF Fei, YT Chai, BHT Ebbers, CA Liao, ZM Schaffers, KI Thelin, P TI Large-aperture YCOB crystal growth for frequency conversion in the high average power laser system SO JOURNAL OF CRYSTAL GROWTH LA English DT Article DE morphology; Czochralski technique; YCOB; frequency conversion AB Yttrium calcium oxyborate YCa4O(BO3)(3) (YCOB) is a novel non-linear optical crystal possessing good thermal, mechanical and nonlinear optical properties. Large-aperture YCOB crystals with 75 mm diameter were grown for high-average power frequency conversion on the mercury laser system. The growth morphology (included facet and spiral growth), cracking and inclusions in the as-grown crystal boule were discussed as the critical problem for large-aperture YCOB crystal growth. This can be minimized through modification of the growth program, including pulling rate, separation procedure. and cooling program. High-average power frequency conversion of the mercury laser using YCOB has been demonstrated, and experimental validation of YCOB material yields 50% conversion at 10 Hz has been achieved. (c) 2006 Elsevier B.V. All rights reserved. C1 Crystal Photon Inc, Sanford, FL 32773 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Fei, YT (reprint author), Crystal Photon Inc, 5525 Benchmark Lane, Sanford, FL 32773 USA. EM ytfei@crystalphotonics.com RI Liao, Zhi/G-3729-2013 NR 11 TC 48 Z9 51 U1 1 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-0248 J9 J CRYST GROWTH JI J. Cryst. Growth PD APR 15 PY 2006 VL 290 IS 1 BP 301 EP 306 DI 10.1016/j.jcrysgro.2006.01.031 PG 6 WC Crystallography; Materials Science, Multidisciplinary; Physics, Applied SC Crystallography; Materials Science; Physics GA 030TD UT WOS:000236656600051 ER PT J AU van der Woerd, J Klinger, Y Sieh, K Tapponnier, P Ryerson, FJ Meriaux, AS AF van der Woerd, J Klinger, Y Sieh, K Tapponnier, P Ryerson, FJ Meriaux, AS TI Long-term slip rate of the southern San Andreas Fault from Be-10-Al-26 surface exposure dating of an offset alluvial fan SO JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH LA English DT Article ID GLOBAL POSITIONING SYSTEM; CALIFORNIA SHEAR ZONE/; NORTH AMERICA MOTION; IN-SITU BE-10; JACINTO FAULT; LARGE EARTHQUAKES; OWENS-VALLEY; LANDSCAPE EVOLUTION; COSMOGENIC NUCLIDES; EROSION RATES AB We determine the long-term slip rate of the southern San Andreas Fault in the southeastern Indio Hills using Be-10 and Al-26 isotopes to date an offset alluvial fan surface. Field mapping complemented with topographic data, air photos and satellite images allows precise determination of piercing points across the fault zone that are used to measure an offset of 565 +/- 80 m. A total of 26 quartz-rich cobbles from three different fan surfaces were collected and dated. The tight cluster of nuclide concentrations from 19 samples out of 20 from the offset fan surface implies a simple exposure history, negligible prior exposure and erosion, and yields an age of 35.5 +/- 2.5 ka. The long-term slip rate of the San Andreas Fault south of Biskra Palms is thus 15.9 +/- 3.4 mm/yr. This rate is about 10 mm/yr slower than geological (0-14 ka) and short-term geodetic estimates for this part of the San Andreas Fault, implying changes in slip rate or in faulting behavior. This result puts new constraints on the slip rate of the San Jacinto and on the Eastern California Shear Zone for the last 35 kyr. Our study shows that more sites along the major faults of southern California need to be targeted to better constrain the slip rates over different timescales. C1 Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94550 USA. CALTECH, Div Geol & Planetary Sci, Pasadena, CA 91125 USA. Inst Phys Globe Strasbourg, Lab Tecton, F-75252 Paris, France. RP van der Woerd, J (reprint author), EOST, IPGS, 5 Rue R Descartes, F-67000 Strasbourg, France. EM jeromev@eost.u-strasbg.fr; klinger@ipgp.jussieu.fr; sieh@gps.caltech.edu; tapponnier@ipgp.jussieu.fr; ryerson@llnl.gov; meriaux1@mac.com RI Meriaux, Anne-Sophie/G-1754-2010; klinger, yann/B-1226-2011; Tapponnier, .Paul/B-7033-2011 OI Tapponnier, .Paul/0000-0002-7135-1962 NR 75 TC 58 Z9 58 U1 0 U2 4 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-9313 EI 2169-9356 J9 J GEOPHYS RES-SOL EA JI J. Geophys. Res.-Solid Earth PD APR 15 PY 2006 VL 111 IS B4 AR B04407 DI 10.1029/2004JB003559 PG 17 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 039EG UT WOS:000237283900001 ER PT J AU Siegel, DI Glaser, PH So, J Janecky, DR AF Siegel, DI Glaser, PH So, J Janecky, DR TI The dynamic balance between organic acids and circumneutral groundwater in a large boreal peat basin SO JOURNAL OF HYDROLOGY LA English DT Article; Proceedings Paper CT 7th INTECOL International Wetland Conference CY JUL 25-30, 2004 CL Utrecht, NETHERLANDS SP Utrecht Univ, Landscape Ecol Grp, Int & Natl Sci Comm DE peatland; organic acids; acids; bogs; fens ID LAKE-AGASSIZ PEATLANDS; LOST RIVER PEATLAND; NORTHERN MINNESOTA; SURFACE WATERS; LANDSCAPE EVOLUTION; HUMIC SUBSTANCES; PATTERNED MIRES; PORE-WATER; NEW-YORK; SPHAGNUM AB Large raised bogs and patterned fens cover 56% of the landscape in the Glacial Lake Agassiz region of northern Minnesota (USA). Organic acids supply most of the acidity in the surface water of the bogs, but groundwater upwelling from the underlying glacial deposits neutralizes these organic acids within deep peat. Substantial concentrations of organic acids also occur in the surface waters of fens mixed with variable amounts of inorganic solutes contributed by groundwater discharge. We used a triprotic analog model to determine the extent to which organic acids in fen and bog waters behave as strong or weak acids. The modeling approach optimized charge balance by calibrating estimates of mole site density in the DOC (dissolved organic carbon) of surface and pore waters with estimates of triprotic acid dissociation constants. Before the calibration process, all of the bog waters and 76% of the fen waters had more than + 20% imbalance in charge balance. After calibration, more than 75% of all waters were electrochemically balanced within 20%. In the best calibration. the mole site denisty of bog DOC was estimated as similar to 0.05 mmol/mmol C., approximately six times smaller than that estimated for fen DOC or the DOC in the fen deeper fen peats that underlie all bog landforms. The three modeled de-protonation constants were; pK(a1) = similar to 3.0. pK(a2) = similar to 4.5 and pK(a3) = similar to 7.0 for the bog DOC, and; pK(a1) = similar to 5.2, pK(a2) = similar to 6.5 and pK(a3) = similar to 7.0 for the fen DOC. Bog DOC, behaves as a strong acid despite its small mole site density. The DOC in bog runoff can therefore theoretically acidify the surface waters in adjacent fens wherever these waters do not receive sufficient buffering alkalinity from active groundwater seepage. (C) 2005 Elsevier B.V. All rights reserved. C1 Syracuse Univ, Dept Earth Sci, Syracuse, NY 13244 USA. Univ Minnesota, Dept Geol & Geophys, Minneapolis, MN 55455 USA. Drycleaner Environm Response Trust Fund IL, Bensenville, IL 60106 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Siegel, DI (reprint author), Syracuse Univ, Dept Earth Sci, Syracuse, NY 13244 USA. EM disiegel@mailbox.syr.edu OI Janecky, David/0000-0001-9072-8326 NR 69 TC 26 Z9 27 U1 1 U2 16 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-1694 J9 J HYDROL JI J. Hydrol. PD APR 15 PY 2006 VL 320 IS 3-4 BP 421 EP 431 DI 10.1016/j.jhydrol.2005.07.046 PG 11 WC Engineering, Civil; Geosciences, Multidisciplinary; Water Resources SC Engineering; Geology; Water Resources GA 030LU UT WOS:000236636900011 ER PT J AU Stout, MG Kaschner, GC Hecker, SS AF Stout, MG Kaschner, GC Hecker, SS TI Mechanical behavior of delta-phase Pu-Ga alloys. Part I: Constitutive model SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID GALLIUM ALLOYS; DEGREES C; TEMPERATURE; DEFORMATION; PLUTONIUM AB We developed a constitutive model, based on the mechanical threshold strength (MTS) model reported by Follansbee and Kocks [P.S. Follansbee, U.F. Kocks, Acta Metall. 36 (1988) 81]. to predict the stress/strain behavior of face-centered cubic (fcc) delta-stabilized plutonium-gallium (Pu-Ga) alloys. Input to the model is derived from our previous work on other fcc metals and published test data for Pu-Ga alloys. The model accounts for the effects of temperature, strain rate, grain size, and alloy content on the constitutive behavior. In Part 1, we describe the development of the model and present all the pertinent equations and parameters. In Part 11, we validate the model against existing literature data and demonstrate how the model is used to quantify the effects of test condition, grain size, alloy content.. and impurity levels. (c) 2005 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Kaschner, GC (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, MS G756, Los Alamos, NM 87545 USA. EM kaschner@lanl.gov RI Kaschner, George/H-4445-2013 NR 21 TC 2 Z9 2 U1 0 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD APR 15 PY 2006 VL 350 IS 2 BP 113 EP 121 DI 10.1016/j.jnucmat.2005.10.017 PG 9 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 032OW UT WOS:000236785000002 ER PT J AU Kaschner, GC Stout, MG Hecker, SS AF Kaschner, GC Stout, MG Hecker, SS TI Mechanical behavior of delta-phase Pu-Ga alloys. Part II: Model verification and application SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID DEGREES C; TEMPERATURE AB We validated the mechanical threshold strength (MTS) model, developed in Part 1, with approximately 50 different experimental results from the literature for both yield strength and ultimate tensile strength on Pu-Ga alloys. One standard deviation of the differences between the model's yield-strength predictions and the experiments was 7.5% of the measured yield strength. The model also worked well predicting the ultimate tensile strength (UTS) of the alloys with gallium concentrations of I wt% or greater, although the accuracy of the UTS predictions was not as good as for yield strength. After validating the model, we studied the effects of gallium concentration, grain size, iron and nickel content, and carbon concentration on the yield strength of Pu-Ga alloys. The gallium concentration affected the yield strength more than any other microstructural variable. The yield strength increased 50% between I at.% Ga and 5.4 at.% Ga alloying addition. The grain size also produced a measurable strengthening effect, typical of other face-centered cubic metals. The yield strength increased 15% with a reduction in grain size from 50 mu m to 10 mu m. Finally, we found that there were no observable yield-strength effects resulting from different amounts of iron, nickel, or carbon impurities. (c) 2005 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Kaschner, GC (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, MS G756, Los Alamos, NM 87545 USA. EM kaschner@lanl.gov RI Kaschner, George/H-4445-2013 NR 11 TC 1 Z9 1 U1 0 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD APR 15 PY 2006 VL 350 IS 2 BP 122 EP 128 DI 10.1016/j.jnucmat.2005.10.016 PG 7 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 032OW UT WOS:000236785000003 ER PT J AU Knapp, JA Browning, JF AF Knapp, JA Browning, JF TI Nanoindentation characterization of ErT2 thin films SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID MECHANICAL-PROPERTIES; ELASTIC-MODULUS; INDENTATION; HARDNESS; NICKEL AB The properties of ErT2 films change as the tritium decays into He-3, which has important implications for long-term film stability in applications such as neutron generators. Ultra-low load nanoindentation, analyzed using finite-element modeling to separate the nanomechanical properties of 500 run ErT2 layers from those of the underlying substrates, has been used to examine the films as they age. The He-3 bubbles which form as the film ages act as barriers to dislocation movement, hardening the material, but not dramatically affecting the elastic properties. By modeling the layer as an isotropic, elastic-plastic solid with the Mises yield criterion, the nanoindentation data is shown to correspond to an increase of nearly 2x in strength after aging for over a year. (c) 2006 Elsevier B.V. All rights reserved. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Knapp, JA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM jaknapp@sandia.gov OI Browning, James/0000-0001-8379-259X NR 15 TC 9 Z9 9 U1 1 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD APR 15 PY 2006 VL 350 IS 2 BP 147 EP 152 DI 10.1016/j.jnucmat.2005.11.018 PG 6 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 032OW UT WOS:000236785000006 ER PT J AU Nozawa, T Snead, LL Katoh, Y Miller, JH Lara-Curzio, E AF Nozawa, T Snead, LL Katoh, Y Miller, JH Lara-Curzio, E TI Determining the shear properties of the PyC/SiC interface for a model TRISO fuel SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID FIBER PULL-OUT; REINFORCED CERAMIC COMPOSITES; MECHANICAL-PROPERTIES; SILICON-CARBIDE; MATRIX COMPOSITES; PYROLYTIC CARBONS; CALCULATING STRESSES; MATHEMATICAL MODEL; BOND STRENGTH; PARTICLE AB The fracture behavior of TRISO-coated fuel particles is dependent on the shear strength of the interface between the inner pyrolytic carbon (PyC) and silicon carbide coatings. This study evaluates the interfacial shear properties and the crack extension mechanism for TRISO-coated model tubes using a push-out technique. The interfacial debond shear strength was found to increase with increasing sample thickness and finally approached a constant value. The intrinsic interfacial debond shear strength of similar to 280 MPa was estimated. After the layer is debonded, the applied load is primarily transferred by interfacial friction. A non-linear shear-lag model predicts that the residual clamping stress at the interface is similar to 350 MPa, and the coefficient of friction is similar to 0.23, yielding a frictional stress of similar to 80 MPa. These relatively high values are attributed to the interfacial roughness. Of importance in these findings is that this unusually high interfacial strength could allow significant loads to be transferred between the inner PyC and SiC in application, potentially leading to failure of the SiC layer. (c) 2006 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. RP Nozawa, T (reprint author), Oak Ridge Natl Lab, Div Met & Ceram, POB 2008, Oak Ridge, TN 37831 USA. EM nozawat@ornl.gov OI Katoh, Yutai/0000-0001-9494-5862 NR 39 TC 6 Z9 6 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD APR 15 PY 2006 VL 350 IS 2 BP 182 EP 194 DI 10.1016/j.jnucmat.2006.01.004 PG 13 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 032OW UT WOS:000236785000011 ER PT J AU Dinh, LN AF Dinh, LN TI Kinetic measurement and prediction of the hydrogen outgassing from the polycrystalline LiH/Li2O/LiOH system by L.N. Dinh et al. (vol 347, pg 31, 2005) SO JOURNAL OF NUCLEAR MATERIALS LA English DT Correction C1 Lawrence Livermore Natl Lab, Livermore, CA 94552 USA. RP Dinh, LN (reprint author), Lawrence Livermore Natl Lab, POB 808,L-092, Livermore, CA 94552 USA. EM dinh1@llnl.gov NR 1 TC 0 Z9 0 U1 1 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD APR 15 PY 2006 VL 350 IS 2 BP 202 EP 202 DI 10.1016/j.jnucmat.2006.01.002 PG 1 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 032OW UT WOS:000236785000013 ER PT J AU Benedikt, B Lewis, M Rangaswamy, P Kumosa, M Predecki, P Kumosa, L Gentz, M AF Benedikt, B Lewis, M Rangaswamy, P Kumosa, M Predecki, P Kumosa, L Gentz, M TI Residual stress analysis in aged graphite/PMR-15 composites using X-ray diffraction SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article; Proceedings Paper CT Symposium on Internal Stress and Thermo-Mechanical Behavior in Mult-Component Materials Systems held at the TMS Annual Meeting CY MAR 14-18, 2004 CL Charlotte, NC SP TMS DE residual stress; polymer matrix composites; Eshelby/Mori-Tanaka model; interactions between inclusions AB In this paper, we present and discuss the methodology to monitor average residual stresses in aged high temperature unidirectional and woven graphite fiber/PMR-15 composites. The aging experiments were performed at 315 degrees C for 1170h in nitrogen and 1064h in air, respectively. The proposed methodology was based on X-ray diffraction (XRD) strain measurements in embedded crystalline metallic inclusions. The aging experiments performed in nitrogen showed an increasing trend in the measured residual stresses from the embedded inclusions with aging time. In contrast, the aging experiments performed in air showed an increasing trend up to similar to 200 h and then dropped by similar to 40% for both unidirectional and woven composites. To extract the average stresses in the composite matrix from the average stresses in embedded inclusions as determined using XRD, the well-established Eshelby/Mori-Tanaka method was used. In addition, to address the effect of inclusion interactions, we also computed the average stresses in the embedded inclusions by taking into account inclusion interactions within the frame-work of the Eshelby/Mori-Tanaka method. It was shown that the interactions between the inclusions did not significantly disturb the average stresses in the inclusions, thereby validating the Eshel by/Mori-Tanaka method used in our analysis. Finally, we show that for an aging process that does not cause any damage to a composite matrix, a relatively simple computation based on the visco-elastic Eshelby/Mori-Tanaka method is sufficient to determine the average stress field in a composite matrix as compared with the predictions based on classical lamination plate theory (CLPT). However, if significant matrix degradation occurs, the current micromechanical modeling approach would likely produce erroneous results. (c) 2005 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Engn Sci & Applicat Div, Los Alamos, NM 87545 USA. Univ Denver, Ctr Adv Mat & Struct, Dept Engn, Denver, CO 80208 USA. RP Benedikt, B (reprint author), Los Alamos Natl Lab, Engn Sci & Applicat Div, POB 1663, Los Alamos, NM 87545 USA. EM bbenedikt@lanl.gov NR 11 TC 5 Z9 5 U1 3 U2 5 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD APR 15 PY 2006 VL 421 IS 1-2 SI SI BP 1 EP 8 DI 10.1016/j.msea.2005.10.006 PG 8 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 038QJ UT WOS:000237237700001 ER PT J AU Clausen, B Bourke, MAM Brown, DW Ustundag, E AF Clausen, B Bourke, MAM Brown, DW Ustundag, E TI Load sharing in tungsten fiber reinforced Kanthal composites SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article; Proceedings Paper CT Symposium on Internal Stress and Thermo-Mechanical Behavior in Mult-Component Materials Systems held at the TMS Annual Meeting CY MAR 14-18, 2004 CL Charlotte, NC SP TMS DE metal matrix composite; neutron diffraction; finite element modeling; material properties ID THERMAL RESIDUAL-STRESSES; NEUTRON-DIFFRACTION; MATRIX COMPOSITE; STRAINS; STEEL; REFINEMENT AB The load sharing in three tungsten fiber reinforced Kanthal matrix composites (with fiber volume fractions of 10, 20 and 30%) have been determined using in situ neutron diffraction measurements. The expected iso-strain region was limited in the 20 and 30% composites due to thermal residual stresses. The experimental data have been used to validate the predictions of a unit-cell finite element model. The model was able to accurately predict the measured in situ loading data for all three composites using the same material properties for all calculations. (c) 2005 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, LANSCE12, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, MST8, Los Alamos, NM 87545 USA. CALTECH, Keck Lab, Pasadena, CA 91125 USA. RP Clausen, B (reprint author), Los Alamos Natl Lab, LANSCE12, POB 1663, Los Alamos, NM 87545 USA. EM clausen@lanl.gov RI Ustundag, Ersan/C-1258-2009; Clausen, Bjorn/B-3618-2015 OI Ustundag, Ersan/0000-0002-0812-7028; Clausen, Bjorn/0000-0003-3906-846X NR 20 TC 12 Z9 12 U1 0 U2 5 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD APR 15 PY 2006 VL 421 IS 1-2 SI SI BP 9 EP 14 DI 10.1016/j.msea.2005.10.004 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 038QJ UT WOS:000237237700002 ER PT J AU Brown, DW Bourke, MAM Field, RD Hults, WL Teter, DF Thoma, DJ Vogel, SC AF Brown, DW Bourke, MAM Field, RD Hults, WL Teter, DF Thoma, DJ Vogel, SC TI Neutron diffraction study of the deformation mechanisms of the uranium-7 wt.% niobium shape memory alloy SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article; Proceedings Paper CT Symposium on Internal Stress and Thermo-Mechanical Behavior in Mult-Component Materials Systems held at the TMS Annual Meeting CY MAR 14-18, 2004 CL Charlotte, NC SP TMS DE uranium-niobium; shape memory effect; neutron diffraction; phase transformation ID RIETVELD REFINEMENT; METASTABLE PHASES; TEXTURE ANALYSIS; GAMMA-PHASE; U-NB; TRANSFORMATIONS; MOLYBDENUM; SYSTEM; STRAIN AB The shape memory effect (SME) has been reported in the uranium-niobium alloy system in the region of the phase diagram surrounding U-6.5 wt.% Nb. In this regime, the material may have either an alpha" monoclinic (U-6 wt.% Nb), or gamma" tetragonal structure (U-7 wt.% Nb) and is two phase near 6.5 wt.% niobium. In situ neutron diffraction studies during uniaxial compressive loading of U-7 wt.% Nb indicate that strain in the recoverable region is accommodated by both motion of existing twin boundaries within gamma(0)-phase and stress-induced phase transformation from the gamma" to the alpha" structure. The volume fraction of the gamma'-phase decreases from 100% initially to similar to 26% after 4% total strain and some reversion is observed on release. The initial stress state of the stress-induced alpha" grains will be discussed as well as the load sharing between the two phases. (c) 2005 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, MSH805, Los Alamos, NM 87545 USA. RP Brown, DW (reprint author), Los Alamos Natl Lab, MSH805, TA-53,Bldg 622, Los Alamos, NM 87545 USA. EM dbrown@lanl.gov RI Lujan Center, LANL/G-4896-2012; OI Vogel, Sven C./0000-0003-2049-0361 NR 25 TC 18 Z9 19 U1 1 U2 21 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD APR 15 PY 2006 VL 421 IS 1-2 SI SI BP 15 EP 21 DI 10.1016/j.msea.2005.10.001 PG 7 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 038QJ UT WOS:000237237700003 ER PT J AU Wall, J Choo, H Tiegs, TN Liaw, PK AF Wall, J Choo, H Tiegs, TN Liaw, PK TI Thermal residual stress evolution in a TiC-50 vol.% Ni3Al cermet SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article; Proceedings Paper CT Symposium on Internal Stress and Thermo-Mechanical Behavior in Mult-Component Materials Systems held at the TMS Annual Meeting CY MAR 14-18, 2004 CL Charlotte, NC SP TMS DE neutron diffraction; residual stress; cermets; intermetallics ID METAL-MATRIX COMPOSITES; NEUTRON-DIFFRACTION AB Volume averaged thermal residual stresses in a TiC-50 vol.% Ni3Al cermet were measured over a temperature range from room temperature to about 1250 K using in situ neutron diffraction. At room temperature, the thermal residual stresses in both the Ni3Al binder and the TiC particles were about 1.6 GPa. In the temperature range studied, the residual stress exhibited primarily elastic behavior during heating, followed by a nonlinear cooling. The path dependency is attributed to a limited plastic flow and severe strain hardening in the Ni3Al binder phase below 900 K during cooling: Furthermore, the isothermal annealing of the cermet at 1250K for 10h did not show any creep relaxation of residual stresses or development of interfacial phases. An elastic finite-element model was developed-which approximately predicts the thermal residual stress evolution in the TiC-50 vol.% Ni3Al cermet studied. (c) 2005 Published by Elsevier B.V. C1 Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN USA. Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. RP Wall, J (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN USA. EM jwall2@utk.edu RI Choo, Hahn/A-5494-2009 OI Choo, Hahn/0000-0002-8006-8907 NR 23 TC 6 Z9 6 U1 2 U2 9 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD APR 15 PY 2006 VL 421 IS 1-2 SI SI BP 40 EP 45 DI 10.1016/j.msea.2005.10.002 PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 038QJ UT WOS:000237237700006 ER PT J AU Prabhakaran, R Roy, AK AF Prabhakaran, R Roy, AK TI Degradations of Type 422 stainless steel in aqueous environments SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE 422 stainless steel; stress corrosion cracking; hydrogen effect; localized corrosion ID STRESS-CORROSION CRACKING; HYDROGEN EMBRITTLEMENT; BEHAVIOR; TEMPERATURE AB The susceptibility of Type 422 stainless steel (UNS S42200) to stress corrosion cracking (SCC) and localized corrosion was determined in neutral and acidic aqueous solutions at ambient and elevated temperatures. No failures were observed in the neutral solution at constant load. SCC testing by the slow-strain-rate technique revealed reduced ductility, time-to-failure and true failure stress due to the combined effect of elevated temperature and lower pH. These parameters were further reduced due to the cathodic charging. The localized corrosion studies using the cyclic potentiodynamic polarization technique showed pits and crevices in all specimens. Metallographic and fractographic evaluations showed secondary cracks along the gage section, and a combination of ductile and brittle failures at the primary fracture face of the tested specimen, respectively, depending upon the test environment. (c) 2006 Elsevier B.V. All rights reserved. C1 Idaho Natl Lab, Nucl Fuels & Mat Dept, Idaho Falls, ID 83415 USA. Univ Nevada, Dept Mech Engn, Las Vegas, NV 89154 USA. RP Prabhakaran, R (reprint author), Idaho Natl Lab, Nucl Fuels & Mat Dept, Mat & Fuels Complex,POB 1625, Idaho Falls, ID 83415 USA. EM ramprashad.prabhakaran@inl.gov NR 36 TC 3 Z9 4 U1 0 U2 1 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0921-5093 J9 MAT SCI ENG A-STRUCT JI Mater. Sci. Eng. A-Struct. Mater. Prop. Microstruct. Process. PD APR 15 PY 2006 VL 421 IS 1-2 SI SI BP 290 EP 297 DI 10.1016/j.msea.2006.01.094 PG 8 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 038QJ UT WOS:000237237700033 ER PT J AU Mattigod, SV McGrail, BP McCread, DE Wang, LQ Parker, KE Young, JS AF Mattigod, SV McGrail, BP McCread, DE Wang, LQ Parker, KE Young, JS TI Synthesis and structure of perrhenate sodalite SO MICROPOROUS AND MESOPOROUS MATERIALS LA English DT Article DE hydrothermal synthesis; perrhenate sodalite; rietveld refinement; Raman spectra; Si-29 and Al-27 MAS NMR ID CRYSTAL-STRUCTURE AB Na-8(AlSiO4)(6)(ReO4)(2) socialite was synthesized using a hydrothermal method and its crystal structure was determined from Rietveld refinement of experimental X-ray powder diffraction data. The refinement showed that this compound adopts the cubic socialite structure (space group P43n, #218) with a = 9.1528 (1) angstrom. Raman spectroscopic measurements confirm the presence of tetrahedral ReO4- groups. Broadening of the asymmetric stretching and bending vibrational modes suggests the tetrahedra are slightly distorted from ideal T-d symmetry in the sodalite lattice. MAS NMR of Si-29 and Al-27 nuclei showed single intense peaks at delta(iso) = -92.4 ppm and delta(iso) = 57.5 ppm, respectively, confirming the alternating Si, Al tetrahedral ordering in socialite deduced from the structural data. Chemical shifts for 29 si and Al-27 calculated using correlative structural parameters (56.6 +/- 0.8 ppm and -92.3 +/- 0.9 ppm) showed good agreement with measured data indicating the validity of data derived from the Rietveld structural refinement. (c) 2005 Elsevier lnc. All rights reserved. C1 Pacific NW Natl Lab, Appl Geol & Geochem Grp, Richland, WA 99352 USA. Pacific NW Natl Lab, Inorgan Nanosynth & Characterizat Grp, Environm Mol Sci Lab, Richland, WA 99352 USA. Pacific NW Natl Lab, Mat Chem Res Grp, Richland, WA 99352 USA. RP Mattigod, SV (reprint author), Pacific NW Natl Lab, Appl Geol & Geochem Grp, POB 999, Richland, WA 99352 USA. EM slias.mattigod@pnl.gov NR 30 TC 20 Z9 20 U1 1 U2 16 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1387-1811 J9 MICROPOR MESOPOR MAT JI Microporous Mesoporous Mat. PD APR 15 PY 2006 VL 91 IS 1-3 BP 139 EP 144 DI 10.1016/j.micromeso.2005.11.025 PG 6 WC Chemistry, Applied; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 030TB UT WOS:000236656400019 ER PT J AU Pirro, S Arnaboldi, C Artusa, DR Avignone, FT Balata, M Bandac, I Barucci, M Beeman, JW Bellini, F Brofferio, C Bucci, C Capelli, S Capozzi, F Carbone, L Cebrian, S Clemenza, M Cremonesi, O Creswick, RJ de Waard, A Dolinski, M Farach, HA Florini, E Frossati, G Guardincerri, E Giuliani, A Gorla, P Gutierrez, TD Haller, EE Maruyama, R Nisi, S Nones, C Norman, EB Nucciotti, A Olivieri, E Pallavicini, M Palmieri, V Pasca, E Pavan, M Pedretti, M Pessina, G Previtali, E Quiter, B Risegari, L Rosenfeld, C Sangiorgio, S Sisti, M Smith, AR Torres, L Ventura, G AF Pirro, S Arnaboldi, C Artusa, DR Avignone, FT Balata, M Bandac, I Barucci, M Beeman, JW Bellini, F Brofferio, C Bucci, C Capelli, S Capozzi, F Carbone, L Cebrian, S Clemenza, M Cremonesi, O Creswick, RJ de Waard, A Dolinski, M Farach, HA Florini, E Frossati, G Guardincerri, E Giuliani, A Gorla, P Gutierrez, TD Haller, EE Maruyama, R Nisi, S Nones, C Norman, EB Nucciotti, A Olivieri, E Pallavicini, M Palmieri, V Pasca, E Pavan, M Pedretti, M Pessina, G Previtali, E Quiter, B Risegari, L Rosenfeld, C Sangiorgio, S Sisti, M Smith, AR Torres, L Ventura, G TI Further developments in the CUORICINO experiment SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th International Workshop on Low-Temperature Detectors CY JUL 31-AUG 05, 2005 CL Univ Tokyo, Tokyo, JAPAN HO Univ Tokyo DE double beta decay; cryogenic detectors ID STABILIZATION; BOLOMETERS AB We report the present results of the CUORICINO experiment, a cryogenic experiment on neutrinoless Double Beta Decay (DBD) of Te-130 consisting of an array of 62TeO(2) crystals with a total active mass of 40.7kg. The array is framed inside a dilution refrigerator, heavily shielded against environmental radioactivity and high-energy neutrons, and it is operated at a temperature of 8 mK in the Gran Sasso Underground Laboratory. After several improvements the live time of the experiment is near 75%. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Milan Bicocca, Dipartimento Fis, I-20126 Milan, Italy. Ist Nazl Fis Nucl, Sez Milano, I-20126 Milan, Italy. Univ S Carolina, Dept Phys & Astron, Columbia, SC 29208 USA. Lab Nazl Gran Sasso, I-67010 Assergi, LAquila, Italy. Univ Florence, Dipartimento Fis, I-50125 Florence, Italy. Ist Nazl Fis Nucl, Sez Firenze, I-50125 Florence, Italy. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Rome, Dipartimento Fis, I-16146 Rome, Italy. Ist Nazl Fis Nucl, Sez Roma, I-16146 Rome, Italy. Lab Nazl Legnaro, I-35020 Legnaro, Padova, Italy. Univ Zaragoza, Lab Fis Nucl & Altas Energias, E-50009 Zaragoza, Spain. Leiden Univ, Kamerlingh Onnes Lab, NL-2300 RA Leiden, Netherlands. Univ Calif Berkeley, Dept Mat Sci & Mineral Engn, Berkeley, CA 94720 USA. Univ Genoa, Dipartimento Fis, I-16146 Genoa, Italy. Ist Nazl Fis Nucl, Sez Genova, I-16146 Genoa, Italy. Univ Insubria, Dipartimento Matemat & Fis, I-22100 Como, Italy. Ist Nazl Fis Nucl, Sez Milanodell, I-22100 Como, Italy. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Pirro, S (reprint author), Univ Milan Bicocca, Dipartimento Fis, I-20126 Milan, Italy. EM Stefano.Pirro@mib.infn.it RI Pallavicini, Marco/G-5500-2012; Nucciotti, Angelo/I-8888-2012; Gorla, Paolo/B-5243-2014; Sangiorgio, Samuele/F-4389-2014; Bellini, Fabio/D-1055-2009; Barucci, Marco/D-4209-2012; Sisti, Monica/B-7550-2013; capelli, silvia/G-5168-2012; OI Pallavicini, Marco/0000-0001-7309-3023; Nucciotti, Angelo/0000-0002-8458-1556; Sangiorgio, Samuele/0000-0002-4792-7802; Bellini, Fabio/0000-0002-2936-660X; Barucci, Marco/0000-0003-0381-3376; Sisti, Monica/0000-0003-2517-1909; capelli, silvia/0000-0002-0300-2752; Gutierrez, Thomas/0000-0002-0330-6414; Clemenza, Massimiliano/0000-0002-8064-8936; pavan, maura/0000-0002-9723-7834; Pessina, Gianluigi Ezio/0000-0003-3700-9757 NR 7 TC 4 Z9 4 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 15 PY 2006 VL 559 IS 2 BP 352 EP 354 DI 10.1016/j.nima.2005.12.007 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 035BL UT WOS:000236974700008 ER PT J AU Pirro, S Arnaboldi, C Beeman, JW Pessina, G AF Pirro, S Arnaboldi, C Beeman, JW Pessina, G TI Development of bolometric light detectors for double beta decay searches SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th International Workshop on Low-Temperature Detectors CY JUL 31-AUG 05, 2005 CL Univ Tokyo, Tokyo, JAPAN HO Univ Tokyo DE double beta decay; scintillating bolometers; CdWO4 ID DISCRIMINATION AB We present the results achieved in the development of bolometric: light detectors for double beta searches. A light detector with a considerable large area (35 cm 2) was constructed and run in a test measurement. A 140 g CdWO4 crystal was operated as bolometer and the scintillation light was read by the light detector. The excellent results obtained in a long background measurement combined with extreme easy light detector assembly represent the first tangible proof demonstrating the feasibility of this kind of technique. (c) 2005 Elsevier B.V. All rights reserved. C1 Sez Milano, Ist Nazl Fis Nucl, I-20126 Milan, Italy. Univ Milan, Dipartimento Fis, I-20122 Milan, Italy. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Pirro, S (reprint author), Sez Milano, Ist Nazl Fis Nucl, I-20126 Milan, Italy. EM Stefano.Pirro@mib.infn.it OI Pessina, Gianluigi Ezio/0000-0003-3700-9757 NR 10 TC 25 Z9 25 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 15 PY 2006 VL 559 IS 2 BP 361 EP 363 DI 10.1016/j.nima.2005.12.009 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 035BL UT WOS:000236974700011 ER PT J AU Akerib, DS Attishab, MJ Bailey, CN Baudis, L Bauer, DA Brink, PL Brusov, PP Bunker, R Cabrera, B Caldwell, DO Chang, CL Cooley, J Crisler, MB Cushman, P Daal, M Dixon, R Dragowsky, MR Driscoll, DD Duong, L Ferril, R Filippini, J Gaitskell, RJ Golwala, SR Grant, DR Hennings-Yeomans, R Holmgren, D Huber, ME Kamat, S Leclercq, S Lu, A Mahapatra, R Mandic, V Meunier, P Mirabolfathi, N Nelson, H Nelson, R Ogburn, RW Perera, TA Pyle, M Ramberg, E Reisetter, A Ross, RR Saab, T Sadoulet, B Sander, J Savage, C Schnee, RW Seitz, DN Serfass, B Sundqvist, KM Thompson, JPF Wang, G Yellin, S Yoo, J Young, BA AF Akerib, DS Attishab, MJ Bailey, CN Baudis, L Bauer, DA Brink, PL Brusov, PP Bunker, R Cabrera, B Caldwell, DO Chang, CL Cooley, J Crisler, MB Cushman, P Daal, M Dixon, R Dragowsky, MR Driscoll, DD Duong, L Ferril, R Filippini, J Gaitskell, RJ Golwala, SR Grant, DR Hennings-Yeomans, R Holmgren, D Huber, ME Kamat, S Leclercq, S Lu, A Mahapatra, R Mandic, V Meunier, P Mirabolfathi, N Nelson, H Nelson, R Ogburn, RW Perera, TA Pyle, M Ramberg, E Reisetter, A Ross, RR Saab, T Sadoulet, B Sander, J Savage, C Schnee, RW Seitz, DN Serfass, B Sundqvist, KM Thompson, JPF Wang, G Yellin, S Yoo, J Young, BA TI Characterization, performance, and future advanced analysis of detectors in the cryogenic dark matter search (CDMS-II) SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th International Workshop on Low-Temperature Detectors CY JUL 31-AUG 05, 2005 CL Univ Tokyo, Tokyo, JAPAN HO Univ Tokyo DE cold dark matter; underground astrophysics AB We present the techniques and results of the calibrations and surface-event rejection cut for the Current CDMS-II data set, along with proposals for future analysis of CDMS-II data. (c) 2005 Elsevier B.V. All rights reserved. C1 Stanford Univ, Dept Phys, Stanford, CA 94305 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Univ Florida, Dept Phys, Gainesville, FL 32611 USA. Brown Univ, Dept Phys, Providence, RI 02912 USA. Case Western Reserve Univ, Dept Phys, Cleveland, OH 44106 USA. Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. CALTECH, Dept Phys, Pasadena, CA 91125 USA. Univ Colorado, Dept Phys, Denver, CO 80217 USA. Hlth Sci Ctr, Denver, CO 80217 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Santa Clara Univ, Dept Phys, Santa Clara, CA 95053 USA. RP Ogburn, RW (reprint author), Stanford Univ, Dept Phys, Stanford, CA 94305 USA. EM ogburn@stanford.edu RI Huber, Martin/B-3354-2011; Bailey, Catherine/C-6107-2009; OI Holmgren, Donald/0000-0001-6701-7737 NR 6 TC 1 Z9 1 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 15 PY 2006 VL 559 IS 2 BP 387 EP 389 DI 10.1016/j.nima.2005.12.017 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 035BL UT WOS:000236974700019 ER PT J AU Akerib, DS Attisha, MJ Bailey, CN Baudis, L Bauer, DA Brink, PL Brusov, PP Bunker, R Cabrera, B Caldwell, DO Chang, CL Cooley, J Crisler, MB Cushman, P Daal, M Dixon, R Dragowsky, MR Driscoll, DD Duong, L Ferril, R Filippini, J Gaitskell, RJ Golwala, SR Grant, DR Hennings-Yeomans, R Holmgren, D Huber, ME Kamat, S Leclercq, S Lu, A Mahapatra, R Mandic, V Meunier, P Mirabolfathi, N Nelson, H Nelson, R Ogburn, RW Perera, TA Pyle, M Ramberg, E Reisetter, A Ross, RR Sadoulet, B Sander, J Savage, C Schnee, RW Seitz, DN Serfass, B Sundqvist, KM Thompson, JPF Wang, G Yellin, S Yoo, J Young, BA AF Akerib, DS Attisha, MJ Bailey, CN Baudis, L Bauer, DA Brink, PL Brusov, PP Bunker, R Cabrera, B Caldwell, DO Chang, CL Cooley, J Crisler, MB Cushman, P Daal, M Dixon, R Dragowsky, MR Driscoll, DD Duong, L Ferril, R Filippini, J Gaitskell, RJ Golwala, SR Grant, DR Hennings-Yeomans, R Holmgren, D Huber, ME Kamat, S Leclercq, S Lu, A Mahapatra, R Mandic, V Meunier, P Mirabolfathi, N Nelson, H Nelson, R Ogburn, RW Perera, TA Pyle, M Ramberg, E Reisetter, A Ross, RR Sadoulet, B Sander, J Savage, C Schnee, RW Seitz, DN Serfass, B Sundqvist, KM Thompson, JPF Wang, G Yellin, S Yoo, J Young, BA TI Limits on WIMP-nucleon interactions from the Cryogenic Dark Matter Search at the Soudan Underground Laboratory SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th International Workshop on Low-Temperature Detectors CY JUL 31-AUG 05, 2005 CL Univ Tokyo, Tokyo, JAPAN HO Univ Tokyo DE dark matter; direct detection; CDMS AB We present the results of the first two data runs of the Cryogenic Dark Matter Search at Soudan Underground Laboratory. These data exclude substantial new parameter space for both spin-independent and spin-dependent WIMP-nucleon interactions within the standard halo model. (c) 2005 Elsevier B.V. All rights reserved. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. Stanford Univ, Dept Phys, Stanford, CA 94305 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Univ Florida, Dept Phys, Gainesville, FL 32611 USA. Brown Univ, Dept Phys, Providence, RI 02912 USA. Case Western Reserve Univ, Dept Phys, Cleveland, OH 44106 USA. CALTECH, Dept Phys, Pasadena, CA 91125 USA. Univ Colorado, Dept Phys, Denver, CO 80217 USA. Hlth Sci Ctr, Denver, CO 80217 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Santa Clara Univ, Dept Phys, Santa Clara, CA 95052 USA. RP Filippini, J (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM jpf@cosmology.berkeley.edu RI Huber, Martin/B-3354-2011; Bailey, Catherine/C-6107-2009; Pyle, Matt/E-7348-2015; OI Pyle, Matt/0000-0002-3490-6754; Holmgren, Donald/0000-0001-6701-7737 NR 13 TC 5 Z9 5 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 15 PY 2006 VL 559 IS 2 BP 390 EP 392 DI 10.1016/j.nima.2005.12.018 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 035BL UT WOS:000236974700020 ER PT J AU Akerib, DS Attisha, MJ Bailey, CN Baudis, L Bauer, DA Brink, PL Brusov, PP Bunker, R Cabrera, B Caldwell, DO Chang, CL Cooley, J Crisler, MB Cushman, P Denes, P Dragowsky, MR Duong, L Filippini, J Gaitskell, RJ Golwala, SR Grant, DR Hennings-Yeomans, R Holmgren, D Huber, ME Irwin, KD Lu, A Mahapatra, R Meunier, P Mirabolfathi, N Nelson, H Ogburn, RW Ramberg, E Reisetter, A Saab, T Sadoulet, B Sander, J Seitz, DN Serfass, B Schnee, RW Sundqvist, KM Thompson, JPF Yellin, S Yoo, J Young, BA AF Akerib, DS Attisha, MJ Bailey, CN Baudis, L Bauer, DA Brink, PL Brusov, PP Bunker, R Cabrera, B Caldwell, DO Chang, CL Cooley, J Crisler, MB Cushman, P Denes, P Dragowsky, MR Duong, L Filippini, J Gaitskell, RJ Golwala, SR Grant, DR Hennings-Yeomans, R Holmgren, D Huber, ME Irwin, KD Lu, A Mahapatra, R Meunier, P Mirabolfathi, N Nelson, H Ogburn, RW Ramberg, E Reisetter, A Saab, T Sadoulet, B Sander, J Seitz, DN Serfass, B Schnee, RW Sundqvist, KM Thompson, JPF Yellin, S Yoo, J Young, BA TI The SuperCDMS proposal for dark matter detection SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th International Workshop on Low-Temperature Detectors CY JUL 31-AUG 05, 2005 CL Univ Tokyo, Tokyo, JAPAN HO Univ Tokyo DE cold dark matter; underground astrophysics AB Presently the CDMS-II collaboration's Weakly Interacting Massive Particle (WIMP) search at the Soudan Underground Laboratory sets the most stringent exclusion limits of any WIMP cold dark matter direct-detection experiment. To extend our reach further, to WIMP-nucleon cross-sections in the range 10(-46) - 10(-44) cm(2), we propose SuperCDMS, which would take advantage of a very deep site. One promising site is the recently approved SNOLab facility in Canada. In this paper we will present our overall program and focus on phase A of SuperCDMS. (c) 2005 Elsevier B.V. All rights reserved. C1 Stanford Univ, Dept Phys, Stanford, CA 94305 USA. Case Western Reserve Univ, Dept Phys, Cleveland, OH 44106 USA. Brown Univ, Dept Phys, Providence, RI 02912 USA. Univ Florida, Dept Phys, Gainesville, FL 32611 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. Univ Minnesota, Sch Phys & Astron, Minneapolis, MN 55455 USA. Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. CALTECH, Pasadena, CA 91125 USA. Univ Colorado, Dept Phys, Denver, CO 80217 USA. Univ Colorado, Hlth Sci Ctr, Denver, CO 80217 USA. Natl Inst Stand & Technol, Boulder, CO 80303 USA. Santa Clara Univ, Dept Phys, Santa Clara, CA 95053 USA. RP Brink, PL (reprint author), Stanford Univ, Dept Phys, Stanford, CA 94305 USA. EM pbrink@stanford.edu RI Huber, Martin/B-3354-2011; Bailey, Catherine/C-6107-2009; OI Holmgren, Donald/0000-0001-6701-7737; Bunker, Raymond/0000-0003-2174-7632 NR 10 TC 42 Z9 42 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 15 PY 2006 VL 559 IS 2 BP 411 EP 413 DI 10.1016/j.nima.2005.12.025 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 035BL UT WOS:000236974700027 ER PT J AU Brink, PL Cabrera, B Castle, JP Cooley, J Novak, L Ogburn, RW Pyle, M Ruderman, J Tomada, A Young, BA Filippini, J Meunier, P Mirabolfathi, N Sadoulet, B Seitz, DN Serfass, B Sundqvist, KM Akerib, DS Bailey, CN Dragowsky, MR Grant, DR Hennings-Yeomans, R Schnee, RW AF Brink, PL Cabrera, B Castle, JP Cooley, J Novak, L Ogburn, RW Pyle, M Ruderman, J Tomada, A Young, BA Filippini, J Meunier, P Mirabolfathi, N Sadoulet, B Seitz, DN Serfass, B Sundqvist, KM Akerib, DS Bailey, CN Dragowsky, MR Grant, DR Hennings-Yeomans, R Schnee, RW TI First test runs of a dark-matter detector with interleaved ionization electrodes and phonon sensors for surface-event rejection SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th International Workshop on Low-Temperature Detectors CY JUL 31-AUG 05, 2005 CL Univ Tokyo, Tokyo, JAPAN HO Univ Tokyo DE cold dark matter; surface ionization detector AB To improve surface event rejection for the SuperCDMS experiment, we have designed, fabricated and tested a new detector concept where ionization electrodes are interleaved with phonon sensors on both sides of the detector. This i-(interleaved)-ZIP concept has electrical fields tangential to all detector surfaces. A surface event will produce ail ionization signal in one charge read out channel, whereas an event within the bulk of the crystal will cause a signal in both charge read out channels. In addition, the symmetric phonon channels on both sides of the crystal, two semicircles on one side for x and two on the other for y, allow three-dimensional reconstruction of event locations through time delays and relative energy collection between the four phonon channels. Preliminary results from a 100 g Si prototype are presented. (c) 2005 Elsevier B.V. All rights reserved. C1 Stanford Univ, Dept Phys, Stanford, CA 94305 USA. Santa Clara Univ, Dept Phys, Santa Clara, CA 95053 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Case Western Reserve Univ, Dept Phys, Cleveland, OH 44106 USA. Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Brink, PL (reprint author), Stanford Univ, Dept Phys, Stanford, CA 94305 USA. EM pbrink@stanford.edu RI Bailey, Catherine/C-6107-2009; Pyle, Matt/E-7348-2015 OI Pyle, Matt/0000-0002-3490-6754 NR 5 TC 22 Z9 22 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 15 PY 2006 VL 559 IS 2 BP 414 EP 416 DI 10.1016/j.nima.2005.12.026 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 035BL UT WOS:000236974700028 ER PT J AU Mirabolfathi, N Filippini, JP Mandic, V Meunier, P Sadoulet, B Seitz, DN Serfass, B Sundqvist, KM Akerib, DS Bailey, CN Brusov, PP Dragowsky, M Schnee, RW Grant, DA Brink, PL Cabrera, B Castle, P Chang, CL Pyle, M Novak, L Ogburn, RW Tomada, A Young, BA Bauer, D Huber, ME Emes, JH AF Mirabolfathi, N Filippini, JP Mandic, V Meunier, P Sadoulet, B Seitz, DN Serfass, B Sundqvist, KM Akerib, DS Bailey, CN Brusov, PP Dragowsky, M Schnee, RW Grant, DA Brink, PL Cabrera, B Castle, P Chang, CL Pyle, M Novak, L Ogburn, RW Tomada, A Young, BA Bauer, D Huber, ME Emes, JH TI Detector commissioning for the CDMS-II final run at the Soudan Underground Laboratory SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th International Workshop on Low-Temperature Detectors CY JUL 31-AUG 05, 2005 CL Univ Tokyo, Tokyo, JAPAN HO Univ Tokyo DE WIMP; CDMS; ZIP AB CDMS-II uses detectors known as Z-sensitive ionization phonons (ZIPs) to search for weakly interacting massive particles (WIMPs), a very promising candidate for the dark matter in the universe. The most recent data run utilized 12 ZIP detectors (six Ge and six Si) running for 1/2 year at the Soudan deep underground laboratory (780 m below surface), resulting in the current world's highest sensitivity to WIMP-nucleon coherent interaction [D.S. Akerib, et al., Phys. Rev. Lett. 93 (2004) 211301]. The CDMS-II experiment is approved to run 30 ZIPs until summer 2007 and its goal is to another order of magnitude increase in sensitivity to WIMPs. We present the detector preparation steps leading to the production of the CDMS-II detectors to be used in this final run. (c) 2005 Published by Elsevier B.V. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Case Western Reserve Univ, Dept Phys, Cleveland, OH 44106 USA. Stanford Univ, Dept Phys, Stanford, CA 94305 USA. Santa Clara Univ, Dept Phys, Santa Clara, CA 95052 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Univ Colorado, Dept Phys, Denver, CO 80217 USA. RP Mirabolfathi, N (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM mirabol@cosmology.berkeley.edu RI Huber, Martin/B-3354-2011; Bailey, Catherine/C-6107-2009 NR 6 TC 6 Z9 6 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 15 PY 2006 VL 559 IS 2 BP 417 EP 419 DI 10.1016/j.nima.2005.12.027 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 035BL UT WOS:000236974700029 ER PT J AU Friedrich, S Lerch, P Kirk, E AF Friedrich, S Lerch, P Kirk, E TI Design of a 8x14 pixel Ta-based STJ X-ray detector array SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th International Workshop on Low-Temperature Detectors CY JUL 31-AUG 05, 2005 CL Univ Tokyo, Tokyo, JAPAN HO Univ Tokyo DE superconducting tunnel junctions; soft X-ray spectroscopy; TaSTJ design ID TUNNEL-JUNCTION DETECTORS; RESOLUTION AB We are developing high-resolution high-speed superconducting tunnel junction (STJ) detectors for synchrotron science to study metal speciation by fluorescence-detected X-ray absorption spectroscopy. The sensitivity of our current 36-pixel Nb-Al-based STJ spectrometer can be improved by replacing the Nb absorber film with higher-efficiency Ta and by increasing the array size. In addition, an improved device layout can reduce spectral artifacts that limit the peak-to-background ratio and thus the sensitivity for analyzing dilute samples. We present a detailed analysis of the spectral artifacts in our current STJs and discuss the considerations to reduce them in the next-generation 8 x 14 Ta-based STJ arrays, as well as the trade-offs between energy resolution, efficiency, speed and spectral purity. (c) 2005 Published by Elsevier B.V. C1 Lawrence Livermore Natl Lab, Adv Detector Grp, Livermore, CA 94550 USA. Paul Scherrer Inst, CH-5232 Villigen, Switzerland. RP Friedrich, S (reprint author), Lawrence Livermore Natl Lab, Adv Detector Grp, 7000 E Ave,L-270, Livermore, CA 94550 USA. EM friedrich1@llnl.gov NR 8 TC 6 Z9 6 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 15 PY 2006 VL 559 IS 2 BP 477 EP 479 DI 10.1016/j.nima.2005.12.079 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 035BL UT WOS:000236974700047 ER PT J AU Navick, XF Beeman, J Carty, M Chapellier, M Gerbier, G Granelli, R Herve, S Karolak, M Nizery, F Schwamm, F Villar, V AF Navick, XF Beeman, J Carty, M Chapellier, M Gerbier, G Granelli, R Herve, S Karolak, M Nizery, F Schwamm, F Villar, V CA EDELWEISS Collaboration TI Twenty-three ionization heat detectors for the Dark Matter search with EDELWEISS-II SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th International Workshop on Low-Temperature Detectors CY JUL 31-AUG 05, 2005 CL Univ Tokyo, Tokyo, JAPAN HO Univ Tokyo DE cryogenic detector; bolometer; holder; low radioactivity; WIMP; Dark Matter AB The first phase of the EDELWEISS-II Dark Matter search is under construction. In this phase, 23 detectors with NTD thermal sensors are going to be used for the direct detection of WIMPs. In this paper, we are describing the production, mounting, monitoring and storage techniques, together with the different characteristics of the detectors and their variations. (c) 2005 Elsevier B.V. All rights reserved. C1 CEA, Ctr Etud Nucl Saclay, DSM, DAPNIA, F-91191 Gif Sur Yvette, France. Lawrence Berkeley Lab, Berkeley, CA USA. RP Navick, XF (reprint author), CEA, Ctr Etud Nucl Saclay, DSM, DAPNIA, F-91191 Gif Sur Yvette, France. EM navick@cea.fr NR 3 TC 8 Z9 8 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 15 PY 2006 VL 559 IS 2 BP 483 EP 485 DI 10.1016/j.nima.2005.12.081 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 035BL UT WOS:000236974700049 ER PT J AU Myers, MJ Peter, A Arnold, K Engargiola, G Holzapfel, B Lee, AT O'Brient, R Richards, PL Smith, A Spieler, H Huan, TTL AF Myers, MJ Peter, A Arnold, K Engargiola, G Holzapfel, B Lee, AT O'Brient, R Richards, PL Smith, A Spieler, H Huan, TTL TI Antenna-coupled bolometer arrays using transition-edge sensors SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th International Workshop on Low-Temperature Detectors CY JUL 31-AUG 05, 2005 CL Univ Tokyo, Tokyo, JAPAN HO Univ Tokyo DE bolometer; antenna-coupled; microstrip filter ID SLOT ANTENNA AB We are developing antenna-coupled Transition-Edge Sensor (TES) bolometer arrays for use in measurements of the CMB polarization. TES bolometers have many well-known advantages over conventional bolometers, such as increased speed, linearity, and the existence of readout multiplexers. Antenna-coupled bolometers use ail on-chip planar antenna to couple light into the bolometer. The antenna directivity and polarization sensitivity, along with the potential for on-chip band defining filters and channelizing circuits, allow a significant increase in focal plane integration. This eliminates the bulky horns, quasioptical filters, dichroics, and polarizers which might otherwise be needed in a conventional bolometric system. This simplification will ease the construction of receivers with larger numbers of pixels. We report on the fabrication and optical testing of single antenna-coupled bolometer pixels with integrated band defining filters. We will also discuss current progress oil fabrication of a bolometer array based on this design. (c) 2006 Elsevier B.V. All rights reserved. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Wales Coll Cardiff, Sch Phys & Astron, Cardiff, S Glam, Wales. Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. Northrop Grumman, Redondo Beach, CA 90278 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Myers, MJ (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM mmyers@cosmology.berkeley.edu RI Holzapfel, William/I-4836-2015 NR 8 TC 6 Z9 6 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 15 PY 2006 VL 559 IS 2 BP 531 EP 533 DI 10.1016/j.nima.2005.12.061 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 035BL UT WOS:000236974700064 ER PT J AU Ali, S Terracol, SF Drury, OB Friedrich, S AF Ali, S Terracol, SF Drury, OB Friedrich, S TI The dynamic range of ultra-high-resolution cryogenic gamma-ray spectrometers SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th International Workshop on Low-Temperature Detectors CY JUL 31-AUG 05, 2005 CL Univ Tokyo, Tokyo, JAPAN HO Univ Tokyo DE microcalorimeter; low-temperature detector; gamma-ray spectroscopy; dynamic range AB We are developing high-resolution cryogenic gamma-ray spectrometers for nuclear science and non-proliferation applications. The gamma-ray detectors are composed of a bulk superconducting Sn foil absorber attached to a multilayer Mo/Cu transition-edge sensor (TES). The energy resolution of a detector with a 1 x 1 x 0.25 mm(3) Sri absorber is 50-90 eV FWHM for gamma-rays up to 100 keV, and it decreases for larger absorbers. Here, we present the detector performance for different absorber volumes, and discuss the trade-offs between energy resolution and dynamic range. (c) 2005 Published by Elsevier B.V. C1 Lawrence Livermore Natl Lab, Adv Detector Grp, Livermore, CA 94550 USA. RP Friedrich, S (reprint author), Lawrence Livermore Natl Lab, Adv Detector Grp, 7000 East Ave,L-270, Livermore, CA 94550 USA. EM friedrich1@llnl.gov NR 4 TC 2 Z9 2 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 15 PY 2006 VL 559 IS 2 BP 542 EP 544 DI 10.1016/j.nima.2005.12.065 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 035BL UT WOS:000236974700068 ER PT J AU Ota, N Boyce, KR Brown, GV Cottam, J Fujimoto, R Furusho, T Ishisaki, Y Kelley, RL Kilbourne, CA McCammon, D Mitsuda, K Morita, U Porter, FS Takei, Y Yamamoto, M AF Ota, N Boyce, KR Brown, GV Cottam, J Fujimoto, R Furusho, T Ishisaki, Y Kelley, RL Kilbourne, CA McCammon, D Mitsuda, K Morita, U Porter, FS Takei, Y Yamamoto, M TI Performance verification of the Suzaku X-ray spectrometer in the flight configuration SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th International Workshop on Low-Temperature Detectors CY JUL 31-AUG 05, 2005 CL Univ Tokyo, Tokyo, JAPAN HO Univ Tokyo DE X-ray detectors; X-ray spectrometers; microcalorimeters ID ASTRO-E2 AB The X-ray Spectrometer (XRS) is a high resolution, non-dispersive cryogenic detector on board the X-ray satellite, Suzaku (Astro-E2), which was successfully launched on July 10, 2005. The XRS achieves an energy resolution of 6eV at 6keV (FWHM) and covers a broad energy range of similar to 0.07-10keV. The XRS will enable powerful plasma diagnostics of a variety of astrophysical objects such as the dynamics of gas in clusters of galaxies. The XRS was integrated to the spacecraft in September 2004, and underwent a series of spacecraft tests until April 2005. We describe results of the XRS performance verification in the spacecraft configuration. First, the noise level was extremely low on the spacecraft, and most of the pixels achieved an energy resolution of 5-6 eV at 5.9 keV. Microphonic noise from the mechanical cooler was one of the concerns, but this was not a problem, when the dewar was integrated to the spacecraft and filled with solid neon. To attain the best energy resolution, however, correction of gain drift is mandatory. The XRS has a dedicated calibration pixel for that purpose, and drift correction using the calibration pixel is very effective when the gain variation is due to changes in the similar to 60 mK heat sink temperature. On the other hand, the calibration pixel and the other pixels do not respond in the same way to variations of the helium and neon bath temperatures, and this effect requires further Study. (c) 2006 Elsevier B.V. All rights reserved. C1 RIKEN, Wako, Saitama 3510198, Japan. NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. LLNL, Livermore, CA 94550 USA. JAXA, ISAS, Sagamihara, Kanagawa 2298510, Japan. Tokyo Metropolitan Univ, Hachioji, Tokyo 1920397, Japan. Univ Wisconsin, Madison, WI 53706 USA. Miyazaki Univ, Miyazaki 8892192, Japan. RP Ota, N (reprint author), RIKEN, 2-1 Hirosawa, Wako, Saitama 3510198, Japan. EM ota@crab.riken.jp RI Mitsuda, Kazuhisa/C-2649-2008; Porter, Frederick/D-3501-2012; Kelley, Richard/K-4474-2012; XRAY, SUZAKU/A-1808-2009 OI Porter, Frederick/0000-0002-6374-1119; NR 3 TC 1 Z9 1 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 15 PY 2006 VL 559 IS 2 BP 614 EP 616 DI 10.1016/j.nima.2005.12.100 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 035BL UT WOS:000236974700091 ER PT J AU Cottam, J Boyce, KR Brown, GV Fujimoto, R Furusho, T Ishisaki, Y Kelley, RL Kilbourne, CA McCammon, D Mitsuda, K Morita, U Ota, N Porter, FS Saab, T Takei, Y Yamamoto, M AF Cottam, J Boyce, KR Brown, GV Fujimoto, R Furusho, T Ishisaki, Y Kelley, RL Kilbourne, CA McCammon, D Mitsuda, K Morita, U Ota, N Porter, FS Saab, T Takei, Y Yamamoto, M TI Ground calibration of the XRS microcalorimeter onboard Suzaku SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th International Workshop on Low-Temperature Detectors CY JUL 31-AUG 05, 2005 CL Univ Tokyo, Tokyo, JAPAN HO Univ Tokyo DE X-ray detectors; X-ray spectrometers; microcalorimeters AB The XRS microcalorimeter was launched in July 2005 as part of the Suzaku mission. It covers the energy band from 0.3 to 10 keV with a nearly constant energy resolution of 6eV and a peak effective area of 200cm(2) at 1.5keV. The XRS will provide unprecedented throughput and resolving power, particularly at high energies and for extended sources. The XRS has undergone extensive instrument level ground calibration prior to integration into the spacecraft. In this presentation, we will describe our pre-launch characterization of the instrument. We will include discussions of the energy scale, the line spread function, and the efficiency of the various components that make up the effective area. Published by Elsevier B.V. C1 NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Inst Space & Astronaut Sci, JAXA, Sagamihara, Kanagawa 2298510, Japan. Tokyo Metropolitan Univ, Hachioji, Tokyo 1920397, Japan. Univ Wisconsin, Madison, WI 53706 USA. RIKEN, Wako, Saitama 3510198, Japan. Miyazaki Univ, Kibanadai Nish, Miyazaki 8892192, Japan. RP Cottam, J (reprint author), NASA, Goddard Space Flight Ctr, Code 661, Greenbelt, MD 20771 USA. EM jcottam@milkyway.gsfc.nasa.gov RI Mitsuda, Kazuhisa/C-2649-2008; Porter, Frederick/D-3501-2012; Kelley, Richard/K-4474-2012; XRAY, SUZAKU/A-1808-2009 OI Porter, Frederick/0000-0002-6374-1119; NR 0 TC 2 Z9 2 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 15 PY 2006 VL 559 IS 2 BP 617 EP 619 DI 10.1016/j.nima.2005.12.113 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 035BL UT WOS:000236974700092 ER PT J AU Kilbourne, CA Boyce, KR Brown, GV Cottam, J Figueroa-Feliciano, E Fujimoto, R Furusho, T Ishisaki, Y Kelley, RL McCammon, D Mitsuda, K Morita, U Porter, FS Ota, N Saab, T Takei, Y Yamamoto, M AF Kilbourne, CA Boyce, KR Brown, GV Cottam, J Figueroa-Feliciano, E Fujimoto, R Furusho, T Ishisaki, Y Kelley, RL McCammon, D Mitsuda, K Morita, U Porter, FS Ota, N Saab, T Takei, Y Yamamoto, M TI Analysis of the Suzaku/XRS background SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th International Workshop on Low-Temperature Detectors CY JUL 31-AUG 05, 2005 CL Univ Tokyo, Tokyo, JAPAN HO Univ Tokyo DE microcalorimeter array; cosmic rays; thermal detectors; X-ray detectors; electron loss AB Background counts on the XRS calorimeter spectrometer of the Suzaku Observatory (formerly Astro-E2) have several sources, including primary cosmic rays and secondary particles interacting with the pixels and with the silicon structure of the array. Using ground data, we identified the types of correlations between events on different pixels, and between pixel pulses and the signal from the anti-coincidence detector behind the calorimeter. In this paper, we present details of the ground background events and the rejection criteria required to remove them while minimizing deadtime. We also present the in-orbit background measured during the time that XRS was functioning in orbit. Published by Elsevier B.V. C1 NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. LLNL, Livermore, CA 94550 USA. JAXA, ISAS, Sagamihara, Kanagawa 2298510, Japan. Tokyo Metropolitan Univ, Hachioji, Tokyo 1920397, Japan. Univ Wisconsin, Madison, WI 53706 USA. RIKEN, Wako, Saitama 3510198, Japan. Miyazaki Univ, Kibanadai Nish, Miyazaki 8892192, Japan. RP Kilbourne, CA (reprint author), NASA, Goddard Space Flight Ctr, Mail Code 662, Greenbelt, MD 20771 USA. EM CAK@milkyway.gsfc.nasa.gov RI Mitsuda, Kazuhisa/C-2649-2008; Porter, Frederick/D-3501-2012; Kelley, Richard/K-4474-2012; XRAY, SUZAKU/A-1808-2009 OI Porter, Frederick/0000-0002-6374-1119; NR 3 TC 7 Z9 7 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 15 PY 2006 VL 559 IS 2 BP 620 EP 622 DI 10.1016/j.nima.2005.12.116 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 035BL UT WOS:000236974700093 ER PT J AU Brown, GV Beiersdorfer, P Boyce, KR Chen, H Gu, MF Kahn, SM Kelley, RL Kilbourne, CA May, M Porter, FS Szymkowiak, AE Thorn, D Widmann, K AF Brown, GV Beiersdorfer, P Boyce, KR Chen, H Gu, MF Kahn, SM Kelley, RL Kilbourne, CA May, M Porter, FS Szymkowiak, AE Thorn, D Widmann, K TI Astrophysics and atomic physics using the NASA/GSFC microcalorimeter spectrometers at the LLNL electron beam ion trap and radiation properties facility SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th International Workshop on Low-Temperature Detectors CY JUL 31-AUG 05, 2005 CL Univ Tokyo, Tokyo, JAPAN HO Univ Tokyo DE atomic data; instrumentation; detectors; spectrographs; X-rays; general ID CROSS-SECTIONS; EMISSION; FE23+ AB The 32 pixel laboratory microcalorimeter spectrometer built by the NASA/Goddard Space Flight Center (GSFC) is now all integral part of the spectroscopy Suite used routinely by the electron beam ion trap and radiative properties group at the Lawrence Livermore National Laboratory. The second generation laboratory instrument, dubbed the XRS/EBIT, is nearly identical to the XRS instrument on the Suzaku X-ray Observatory, formerly Astro-E2. The detector array is from the same processed wafer and uses the same HgTe absorbers. It is being used to measure the photon emission from a variety of radiation sources. These include X-ray emission from laboratory Simulated celestial sources, X-ray emission from highly charged ions of Au, and X-ray emission following charge exchange and radiative electron capture. The wide range of applications demonstrates the versatility of a high-resolution, high-efficiency low-temperature detector that is able to collect data continually with minimal operator servicing. (c) 2006 Elsevier B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, High Energy Dens & Astrophy Div, Livermore, CA 94551 USA. NASA, Goddard Space Flight Ctr, Lab Xray Astrophys, Greenbelt, MD 20770 USA. Kavli Inst Particle Astrophys & Cosmol, Stanford, CA 94309 USA. Yale Univ, New Haven, CT 06511 USA. RP Brown, GV (reprint author), Lawrence Livermore Natl Lab, High Energy Dens & Astrophy Div, 7000 E Ave, Livermore, CA 94551 USA. EM gregbrown@llnl.gov RI Porter, Frederick/D-3501-2012; Kelley, Richard/K-4474-2012; XRAY, SUZAKU/A-1808-2009 OI Porter, Frederick/0000-0002-6374-1119; NR 9 TC 3 Z9 3 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 15 PY 2006 VL 559 IS 2 BP 623 EP 625 DI 10.1016/j.nima.2005.12.204 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 035BL UT WOS:000236974700094 ER PT J AU Drury, OB Friedrich, S George, SJ Cramer, SP AF Drury, OB Friedrich, S George, SJ Cramer, SP TI The advantages of soft X-rays and cryogenic spectrometers for measuring chemical speciation by X-ray spectroscopy SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th International Workshop on Low-Temperature Detectors CY JUL 31-AUG 05, 2005 CL Univ Tokyo, Tokyo, JAPAN HO Univ Tokyo DE high-resolution X-ray spectrometer; superconducting tunnel junction; soft X-ray absorption spectroscopy; Mo speciation AB We have built a 36-pixel high-resolution superconducting tunnel junction (STJ) soft X-ray spectrometer for chemical analysis of dilute metals by fluorescence-detected X-ray absorption spectroscopy (XAS) at the Advanced Light Source synchrotron. Soft X-ray absorption edges are preferred over traditional hard X-ray spectroscopy at the K-edges, since they have narrower natural linewidths and exhibit stronger chemical shifts. STJ detectors are preferred in the soft X-ray band over traditional Ge or grating spectrometers, since they have sufficient energy resolution to resolve transition metal L and M lines from light element K emission, and sufficient detection efficiency to measure the weak lines of dilute specimens within an acceptable time. We demonstrate the capabilities of our STJ spectrometer for chemical analysis with soft XAS measurements of molybdenum speciation on the Mo M-4,M-5-edges. (c) 2005 Elsevier B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Adv Detector Grp, Livermore, CA 94550 USA. Univ Calif Davis, Biophys Grad Grp, Davis, CA 95616 USA. LBNL, Adv Biol & Environm Xray Facil, Berkeley, CA 92720 USA. RP Friedrich, S (reprint author), Lawrence Livermore Natl Lab, Adv Detector Grp, 7000 E Ave,L-270, Livermore, CA 94550 USA. EM friedrich1@llnl.gov NR 6 TC 4 Z9 4 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 15 PY 2006 VL 559 IS 2 BP 728 EP 730 DI 10.1016/j.nima.2005.12.119 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 035BL UT WOS:000236974700126 ER PT J AU Hau, ID Niedermayr, TR Drury, OB Burger, A Bell, Z Friedrich, S AF Hau, ID Niedermayr, TR Drury, OB Burger, A Bell, Z Friedrich, S TI Neutron absorption spectroscopy for identification of light elements in actinides SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th International Workshop on Low-Temperature Detectors CY JUL 31-AUG 05, 2005 CL Univ Tokyo, Tokyo, JAPAN HO Univ Tokyo DE fast-neutron spectroscopy; calorimetry; (LiF)-Li-6 crystals; Mo/Cu multilayers; transition edge sensors ID DETECTOR; LIF AB We are developing cryogenic high-energy resolution fast-neutron spectrometers using superconducting transition-edge sensors (TES) for nuclear science and non-proliferation applications. Fast neutrons are absorbed in 94% enriched (LiF)-Li-6 single crystals with volumes of similar to 1 cm(3) in an exothermic Li-6(n,alpha)H-3 capture reaction. The neutron energy is measured from the subsequent temperature rise with a Mo/ Cu multilayer TES. Fast-neutron spectra from a Cf-252 source show an energy resolution of 55 kev. Here, we discuss the instrument performance, with emphasis on the identification of light elements in actinide matrices. (c) 2005 Elsevier B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Adv Detector Grp, Livermore, CA 94550 USA. Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. Fisk Univ, Nashville, TN 37208 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Friedrich, S (reprint author), Lawrence Livermore Natl Lab, Adv Detector Grp, 7000 E Ave,L270, Livermore, CA 94550 USA. EM hau2@llnl.gov; friedrich1@llnl.gov OI Bell, Zane/0000-0003-1115-8674 NR 15 TC 4 Z9 4 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 15 PY 2006 VL 559 IS 2 BP 745 EP 747 DI 10.1016/j.nima.2005.12.125 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 035BL UT WOS:000236974700131 ER PT J AU Friedrich, S Li, L Ott, LL Kolgani, RM Yong, GJ Ali, ZA Drury, OB Ables, E Bionta, RM AF Friedrich, S Li, L Ott, LL Kolgani, RM Yong, GJ Ali, ZA Drury, OB Ables, E Bionta, RM TI Design of a bolometer for total-energy measurement of the linear coherent light source pulsed X-ray laser SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th International Workshop on Low-Temperature Detectors CY JUL 31-AUG 05, 2005 CL Univ Tokyo, Tokyo, JAPAN HO Univ Tokyo DE linear coherent light source; free-electron X-ray laser; CMR bolometers; total energy measurement ID THIN-FILMS; LCLS AB We are developing a cryogenic bolometer to measure the total energy of the linear coherent light source (LCLS) free electron X-ray laser to be built at the Stanford Linear Accelerator Center. The laser will produce Ultrabright X-ray pulses in the energy range between 0.8 and 8 keV with similar to 10(12) photons per similar to 200fs pulse at a repeat interval of 8ms, and will be accompanied by a halo of spontaneous undulator radiation. The bolometer is designed to determine the total energy of each laser pulse to within < 0.1%, taking into account thermal and mechanical stress to prevent melting in the LCLS beam due to its high energy density. We propose to use a magnetoresistive Nd(1-x)SrxMnO3 sensor array at the metal-insulator transition, where the composition x is adjusted to produce the desired transition temperature. We discuss design considerations and material choices, and present numerical simulations of the thermal response. (c) 2006 Published by Elsevier B.V. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Towson Univ, Dept Phys Geosci & Astron, Towson, MD 21252 USA. RP Friedrich, S (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave, Livermore, CA 94550 USA. EM Friedrich1@llnl.gov NR 8 TC 4 Z9 4 U1 2 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 15 PY 2006 VL 559 IS 2 BP 772 EP 774 DI 10.1016/j.nima.2005.12.139 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 035BL UT WOS:000236974700140 ER PT J AU Friedrich, S Drury, OB Cramer, SP Green, PG AF Friedrich, S Drury, OB Cramer, SP Green, PG TI A 36-pixel superconducting tunnel junction soft X-ray detector for environmental science applications SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th International Workshop on Low-Temperature Detectors CY JUL 31-AUG 05, 2005 CL Univ Tokyo, Tokyo, JAPAN HO Univ Tokyo DE superconducting tunnel junctions; soft X-ray absorption spectroscopy; digital signal processors; chromium speciation ID SPECTROSCOPY AB We are operating a superconducting tunnel junction detector for high-resolution soft X-ray spectroscopy at the Advanced Biological and Environmental X-ray Facility at the Advanced Light Source synchrotron. We have recently upgraded the instrument from 9 to 36pixels for increased sensitivity. We have also acquired a new digital signal readout to increase the total count rate capabilities to similar to 10(6) counts/s while maintaining a high peak-to-background ratio. We report on the performance of the spectrometer, and discuss speciation measurements of chromium in welding aerosols as a typical application of the instrument in environmental science. (c) 2006 Published by Elsevier B.V. C1 Lawrence Livermore Natl Lab, Adv Detector Grp, Livermore, CA 94550 USA. Lawrence Berkeley Lab, Adv Biol & Environm Xray Facil, Berkeley, CA 94720 USA. Univ Calif Davis, Dept Civil & Environm Engn, Davis, CA 95616 USA. RP Friedrich, S (reprint author), Lawrence Livermore Natl Lab, Adv Detector Grp, 7000 E Ave,L270, Livermore, CA 94550 USA. EM friedrich1@llnl.gov NR 5 TC 3 Z9 3 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 15 PY 2006 VL 559 IS 2 BP 776 EP 778 DI 10.1016/j.nima.2005.12.135 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 035BL UT WOS:000236974700141 ER PT J AU Lee, AT AF Lee, AT TI SQUID readout multiplexers for transition-edge sensor arrays SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th International Workshop on Low-Temperature Detectors CY JUL 31-AUG 05, 2005 CL Univ Tokyo, Tokyo, JAPAN HO Univ Tokyo DE multiplexer; SQUID; bolometer; calorimeter; transition-edge ID QUANTUM INTERFERENCE DEVICE; MICROCALORIMETER AB Two classes of SQUID multiplexer are being developed for large arrays of cryogenic sensors, distinguished by their operation in either the time domain or frequency domain. Several systems optimized for use with Transition-Edge Sensors (TES) are reaching a high level of maturity, and will be deployed on funded astrophysics experiments in the next several years. A useful technical figure of merit is the product of the number of detectors multplexed multipled by the bandwidth of the detectors, which can be termed the "total signal bandwidth" of a multiplexer system. This figure of merit is comparable within a factor of two for the mature systems. Several new concepts for increasing the total bandwidth are being developed in the broad class of frequency domain multiplexers. Another notable area of progress is in the level of integration of muliplexer and detector array. The time domain system for SCUBA-II is a sophisticated bump-bonded sandwich structure, and the Jena/MPI group is integrating detectors and a time domain multiplexer on one substrate. Finally, the Kinetic Inductance Detectors (KID)/HEMT (non-SQUID) detector/multiplexer system, will be discussed briefly. (c) 2006 Elsever B.V. All rights reserved. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Lawrence Berkeley Lab, Div Phys, Berkeley, CA 94720 USA. RP Lee, AT (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM atl@physics.berkeley.edu NR 9 TC 19 Z9 19 U1 1 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 15 PY 2006 VL 559 IS 2 BP 786 EP 789 DI 10.1016/j.nima.2005.12.140 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 035BL UT WOS:000236974700144 ER PT J AU Lanting, TM Arnold, K Cho, HM Clarke, J Dobbs, M Holzapfel, W Lee, AT Lueker, M Richards, PL Smith, AD Spieler, HG AF Lanting, TM Arnold, K Cho, HM Clarke, J Dobbs, M Holzapfel, W Lee, AT Lueker, M Richards, PL Smith, AD Spieler, HG TI Frequency-domain readout multiplexing of transition-edge sensor arrays SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th International Workshop on Low-Temperature Detectors CY JUL 31-AUG 05, 2005 CL Univ Tokyo, Tokyo, JAPAN HO Univ Tokyo DE bolometer; transition-edge; multiplexer; SQUID; CMB ID SERIES ARRAY AB We have demonstrated frequency-domain readout multiplexing of eight channels for superconducting transition-edge sensor bolometer arrays. The multiplexed readout noise is 6.5 pA/root Hz, well below the bolometer dark noise of 15-20 pA/root Hz. We measure an upper limit on crosstalk of 0.004 between channels adjacent in frequency which meets our design requirement of 0.01. We have observed vibration insensitivity in our frequency-domain multiplexed transition-edge sensors, making this system very attractive for telescope and satellite observations. We also discuss extensions to our multiplexed readout. In particular, we are developing a SQUID flux-locked loop that is entirely cold and collaborating on digital multiplexer technology in order to scale up the number of multiplexed channels. (c) 2006 Elsevier B.V. All rights reserved. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. Northrop Grumman, Redondo Beach, CA 94278 USA. RP Lanting, TM (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM tlanting@berkeley.edu RI Holzapfel, William/I-4836-2015 NR 6 TC 8 Z9 8 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD APR 15 PY 2006 VL 559 IS 2 BP 793 EP 795 DI 10.1016/j.nima.2005.12.142 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 035BL UT WOS:000236974700146 ER PT J AU Rambo, P Schwarz, J Smith, I AF Rambo, P Schwarz, J Smith, I TI Development of a mirror backed volume phase grating with potential for large aperture and high damage threshold SO OPTICS COMMUNICATIONS LA English DT Article DE large aperture gratings; high damage threshold; sol-gel ID DIELECTRIC REFLECTION GRATINGS; CHIRPED-PULSE-AMPLIFICATION; LASER SYSTEM; DIFFRACTION GRATINGS; DESIGN; COMPRESSION AB The present paper proposes a new grating concept by which a volume phase grating is placed on top of a dielectric mirror stack. Instead of using a multilayer dielectric grating, wherein the uppermost layer of a thin film mirror is etched to create the desired binary phase grating we suggest to have an upper grating layer of a lower density gelatin-based volume phase grating in either sol-gel or dichromated gelatin. The key benefit is the elimination of the etching step which is the limiting factor in the production of large aperture gratings. We have investigated designs for s- and p-polarization as well as the necessary chemistry that is needed to achieve the required index modulations. Damage testing on dichromated gelatin and acrogel was performed and diffraction efficiencies for various prototypes were measured. (c) 2005 Elsevier B.V. All rights reserved. C1 Sandia Natl Labs, Dept 01673, Albuquerque, NM 87185 USA. RP Rambo, P (reprint author), Sandia Natl Labs, Dept 01673, POB 5800,MS 1193, Albuquerque, NM 87185 USA. EM prambo@sandia.gov NR 33 TC 6 Z9 6 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0030-4018 J9 OPT COMMUN JI Opt. Commun. PD APR 15 PY 2006 VL 260 IS 2 BP 403 EP 414 DI 10.1016/j.optcom.2005.11.020 PG 12 WC Optics SC Optics GA 029WJ UT WOS:000236594800005 ER PT J AU Guziewicz, E Durakiewicz, T Olson, CG Joyce, JJ Butterfield, MT Arko, AJ Sarrao, JL Wojakowski, A AF Guziewicz, E Durakiewicz, T Olson, CG Joyce, JJ Butterfield, MT Arko, AJ Sarrao, JL Wojakowski, A TI Electronic structure of layered uranium compounds from photoemission spectroscopy SO SURFACE SCIENCE LA English DT Article; Proceedings Paper CT International Workshop on Surface Physics CY SEP 10-13, 2005 CL Polanica Zdroj, POLAND DE photoemission; uranium compounds; electronic structure; dispersion; hybridization ID UASSE; MAGNETISM; USB2 AB We present the photoemission results of two layered tetragonal compounds, the anti-ferromagnet UAsSe and ferromagnet USb,. We observed intriguing electronic structure for both UAsSe and USb,, in which relatively dispersive and narrow 5f bands are present. In the vicinity of the Fermi edge we found a very sharp photoemission peak with dispersion of several meV along the Gamma to Z direction of the Brillouin zone. We also found a broader, hybridized f-character band with dispersion of several hundred meV along the F to X direction. Narrow and dispersive bands in these U-based magnetic materials are reminiscent of band magnetism as previously found in some transition metals. (c) 2006 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Polish Acad Sci, Inst Phys, Warsaw, Poland. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. Polish Acad Sci, Inst Low Temp & Struct Res, Wroclaw, Poland. RP Guziewicz, E (reprint author), Al Lotnikow 32-46, PL-02668 Warsaw, Poland. EM elzbieta.guziewicz@ifpan.edu.pl RI Guziewicz, Elzbieta/S-4910-2016; OI Guziewicz, Elzbieta/0000-0001-6158-5258; Durakiewicz, Tomasz/0000-0002-1980-1874 NR 14 TC 6 Z9 6 U1 1 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 J9 SURF SCI JI Surf. Sci. PD APR 15 PY 2006 VL 600 IS 8 BP 1632 EP 1636 DI 10.1016/j.susc.2005.11.050 PG 5 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 038GI UT WOS:000237206700015 ER PT J AU Butterfield, MT Durakiewicz, T Prodan, ID Scuseria, GE Guziewicz, E Sordo, JA Kudin, KN Martin, RL Joyce, JJ Arko, AJ Graham, KS Moore, DP Morales, LA AF Butterfield, MT Durakiewicz, T Prodan, ID Scuseria, GE Guziewicz, E Sordo, JA Kudin, KN Martin, RL Joyce, JJ Arko, AJ Graham, KS Moore, DP Morales, LA TI A comparison of hybrid density functional theory with photoemission of surface oxides of delta-plutonium SO SURFACE SCIENCE LA English DT Article; Proceedings Paper CT International Workshop on Surface Physics CY SEP 10-13, 2005 CL Polanica Zdroj, POLAND DE plutonium surface; plutonium oxides; photoemission; hybrid density functional ID 5F STATES; SPECTROSCOPY; ELECTRON AB We carried out high resolution photoelectron spectroscopy (PES) studies on a gallium stabilized delta-phase plutonium sample cleaned by laser ablation and gas dosed with 0(2). The measurements were made at a sample temperature of 77K with an overall instrument resolution of 60 meV. At this temperature the PES strongly favor an idealized model Of Pu2O3 growth on the metal surface followed by PuO2 growth on the Pu2O3. These experimental results provide an excellent benchmark for a new generation of hybrid density functional calculations that have been used to model a defective plutonium dioxide lattice. The hybrid functional predicts an insulating ground state. This is of paramount importance for the study of actinide oxides because the conventional density functional theory approaches predict them to be metals, when in fact they are insulators with significant band gaps. The calculated density of states for PuO2 and Pu2O3 agree reasonably well with the experimental data. (c) 2006 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Los Alamos, NM 87544 USA. Rice Univ, Dept Chem, Houston, TX 77251 USA. Polish Acad Sci, Inst Phys, PL-02668 Warsaw, Poland. Univ Oviedo, Dept Quim Fis & Analit, Oviedo 33007, Spain. Princeton Univ, Dept Chem, Princeton, NJ 08544 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Durakiewicz, T (reprint author), Los Alamos Natl Lab, MST-10, Los Alamos, NM 87544 USA. EM tomasz@lanl.gov RI Kudin, Konstantin/A-7723-2008; Scuseria, Gustavo/F-6508-2011; Guziewicz, Elzbieta/S-4910-2016; OI Durakiewicz, Tomasz/0000-0002-1980-1874; Guziewicz, Elzbieta/0000-0001-6158-5258; Moore, David/0000-0002-0645-587X NR 15 TC 13 Z9 13 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 J9 SURF SCI JI Surf. Sci. PD APR 15 PY 2006 VL 600 IS 8 BP 1637 EP 1640 DI 10.1016/j.susc.2005.11.051 PG 4 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 038GI UT WOS:000237206700016 ER PT J AU Heitzman, H Young, BA Rausch, DJ Rickert, P Stepinski, DC Dietz, ML AF Heitzman, H Young, BA Rausch, DJ Rickert, P Stepinski, DC Dietz, ML TI Fluorous ionic liquids as solvents for the liquid-liquid extraction of metal ions by macrocyclic polyethers SO TALANTA LA English DT Article; Proceedings Paper CT 1st Workshop on Validation of Robustness of Sensors and Bioassays for Screening Polluatants CY DEC 02-03, 2004 CL Menorca, SPAIN SP Minist Sci & Educ DE ionic liquids; strontium extraction; crown ethers ID CROWN-ETHERS; SALTS; MECHANISM; CATALYSIS; STRONTIUM; ALKYL AB The predominant mode of strontium ion transfer from aqueous nitrate media into a series of 1-fluoroalkyl-3-methylimidazolium bis[(trifluoromethylsulfonyl)]imides containing dicyclohexano-18-crown-6 (DCH18C6) is shown to shift from cation exchange to strontium nitrato-crown ether complex partitioning as the length of the fluoroalkyl substituent is increased. Fluoroalkyl substituents are shown to be only slightly more effective than their non-fluorous analogs at inducing this shift. At the same time, the fluorinated ionic liquids (ILs) yield strontium distribution ratios as much as an order of magnitude lower than the corresponding 1-alkyl-3-methylimidazolium (C(n)mim(+)) salts. Fluorous ILs thus appear to offer no compelling advantages over C(n)mim(+) ionic liquids as extraction solvents. (C) 2005 Elsevier B.V. All rights reserved. C1 Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RP Dietz, ML (reprint author), Argonne Natl Lab, Div Chem, 9700 S Cass Ave, Argonne, IL 60439 USA. EM mdietz@anl.gov NR 31 TC 69 Z9 75 U1 2 U2 19 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-9140 J9 TALANTA JI Talanta PD APR 15 PY 2006 VL 69 IS 2 BP 527 EP 531 DI 10.1016/j.talanta.2005.09.046 PG 5 WC Chemistry, Analytical SC Chemistry GA 015VV UT WOS:000235580300033 PM 18970599 ER PT J AU Fan, H Pratt, ST AF Fan, H Pratt, ST TI Photodissociation of propargyl bromide and photoionization of the propargyl radical SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID 193 NM PHOTODISSOCIATION; AB-INITIO CALCULATIONS; CL BOND FISSION; PHOTOELECTRON-SPECTRUM; ALLYL CHLORIDE; METHYL-IODIDE; EXCITED-STATE; DYNAMICS; DECOMPOSITION; VINYL AB Velocity map imaging was used to study the 193 nm photodissociation of propargyl bromide C3H3Br as well as the photoionization dynamics of the resulting propargyl radical C3H3. Images were recorded by using single-photon vacuum ultraviolet ionization of the propargyl radical and by using two-photon resonant, three-photon ionization of the ground state Br(P-2(3/2)) and spin-orbit excited Br-*(P-2(1/2)) atoms. Analysis of these data allowed the determination of the branching ratio Br:Br-* as well as the photofragment angular distributions. Images of C3H3 produced by the photodissociation of both C3H3Br and C3H3Cl were recorded at several energies between 8.97 and 9.12 eV, as well as at 9.86 eV, and showed no obvious internal energy dependence of the relative photoionization cross sections. (c) 2006 American Institute of Physics. C1 Argonne Natl Lab, Argonne, IL 60439 USA. RP Fan, H (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM stpratt@anl.gov NR 40 TC 6 Z9 6 U1 1 U2 7 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 14 PY 2006 VL 124 IS 14 AR 144313 DI 10.1063/1.2187975 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 032TD UT WOS:000236796700032 PM 16626202 ER PT J AU Liu, P Muckerman, JT Adzic, RR AF Liu, P Muckerman, JT Adzic, RR TI Adsorption of platinum on the stoichiometric RuO2(110) surface SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID MONOLAYER ELECTROCATALYSTS; CATALYTIC-ACTIVITY; AU NANOPARTICLES; OXYGEN REDUCTION; OXIDATION; CO; MO AB Density functional theory was used to calculate the geometries and electronic structures of Pt adsorption on the stoichiometric RuO2(110) surface at different coverages. The calculated results revealed that the Pt atoms strongly adsorb on RuO2, and two-dimensional growth up to 1.25 ML deposition is energetically favorable. At low coverage, the binding between Pt and RuO2 is very strong, accompanied by a significant transfer of electron density from Pt to the support and a large downshift of the d-band compared to that of the unsupported Pt. At high coverage, a weak interaction of RuO2 with the Pt cluster is observed, and the electronic structure of Pt is only slightly modified with respect to that of the unsupported material. Our results suggest that among the systems investigated, the RuO2-supported Pt at a coverage of 1 ML may become one of the best alternatives to pure Pt as a catalyst because it combines a high stability and a moderate activity similar to Pt. (c) 2006 American Institute of Physics. C1 Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM pingliu3@bnl.gov RI Muckerman, James/D-8752-2013 NR 33 TC 7 Z9 7 U1 1 U2 12 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0021-9606 EI 1089-7690 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 14 PY 2006 VL 124 IS 14 AR 141101 DI 10.1063/1.2189857 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 032TD UT WOS:000236796700001 PM 16626171 ER PT J AU Stanfield, RL Zemla, A Wilson, IA Rupp, B AF Stanfield, RL Zemla, A Wilson, IA Rupp, B TI Antibody elbow angles are influenced by their light chain class SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE antibody; elbow angle; lambda; kappa; computer program ID PROTEIN; ANTIGEN; IMMUNOGLOBULIN; RESOLUTION; FRAGMENT; REFINEMENT; CRYSTALS; MOLECULE; COMPLEX; HAPTEN AB We have examined the elbow angles for 365 different Fab fragments, and observe that Fabs with lambda light chains have adopted a wider range of elbow angles than their kappa chain counterparts, and that the), light chain Fabs are frequently found with very large (> 195 degrees) elbow angles. This apparent hyperflexibility of lambda chain Fabs may be due to an insertion in their switch region, which is one residue longer than in kappa chains, with glycine occurring most frequently at the insertion position. A new, web-based computer program that was used to calculate the Fab elbow angles is described. (c) 2006 Elsevier Ltd. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Scripps Res Inst, Dept Mol Biol, La Jolla, CA 92037 USA. Scripps Res Inst, Skaggs Inst Chem Biol, La Jolla, CA 92037 USA. Qed Life Sci Discoveries, Livermore, CA 94551 USA. RP Stanfield, RL (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave, Livermore, CA 94551 USA. EM robyn@scripps.edu; bernhardrupp@sbcglobal.net FU NIGMS NIH HHS [GM-38273, GM-46192] NR 18 TC 116 Z9 117 U1 0 U2 8 PU ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0022-2836 J9 J MOL BIOL JI J. Mol. Biol. PD APR 14 PY 2006 VL 357 IS 5 BP 1566 EP 1574 DI 10.1016/j.jmb.2006.01.023 PG 9 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 030IZ UT WOS:000236629400018 PM 16497332 ER PT J AU Luna, M Ogletree, DF Salmeron, M AF Luna, M Ogletree, DF Salmeron, M TI A study of the topographic and electrical properties of self-assembled islands of alkylsilanes on mica using a combination of non-contact force microscopy techniques SO NANOTECHNOLOGY LA English DT Article; Proceedings Paper CT 8th International Conference on Non-Contact Atomic Force Microscopy CY AUG 15, 2005 CL Bad Essen, GERMANY SP Anfatec, HALCYON, JEOL, LOT-Oriel, NanoMagnet, NT-MDT, Omicron, Schaefer Technol, SURFACE, UNISOKU ID THIN-FILMS; RESOLUTION; WATER; POTENTIOMETRY; MONOLAYERS; ADSORPTION; SURFACE AB We use a combination of non-contact scanning, force microscope operation modes to study the changes in topographic and electrostatic properties of self-assembled monolayer islands of alkylsilanes on mica. The combined technique uses simultaneous electrical and mechanical modulation and feedback modes to produce four images that reveal the topography, phase, surface potential and dielectric constant. The results show significant advantages with this combined method. As an example we show that the interaction of water with self-assembled monolayer islands of alkylsilanes produces changes in the surface potential of the system but not in the topography. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Salmeron, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM MBSalmeron@lbl.gov RI Luna, Monica/M-1792-2014; Ogletree, D Frank/D-9833-2016 OI Luna, Monica/0000-0002-7104-0726; Ogletree, D Frank/0000-0002-8159-0182 NR 29 TC 10 Z9 10 U1 2 U2 5 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0957-4484 J9 NANOTECHNOLOGY JI Nanotechnology PD APR 14 PY 2006 VL 17 IS 7 SI SI BP S178 EP S184 DI 10.1088/0957-4484/17/7/S13 PG 7 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA 035CZ UT WOS:000236979000014 PM 21727411 ER PT J AU Bilc, DI Singh, DJ AF Bilc, DI Singh, DJ TI Frustration of tilts and A-site driven ferroelectricity in KNbO3-LiNbO3 alloys SO PHYSICAL REVIEW LETTERS LA English DT Article ID 1ST-PRINCIPLES; PBTIO3; PHASE; PB(ZR1-XTI(X))O-3; INSTABILITIES; STABILITY; KNBO3 AB Density functional calculations for K0.5Li0.5NbO3 show strong A-site driven ferroelectricity, even though the average tolerance factor is significantly smaller than unity and there is no stereochemically active A-site ion. This is due to the frustration of tilt instabilities by A-site disorder. There are very large off centerings of the Li ions, which contribute strongly to the anisotropy between the tetragonal and rhombohedral ferroelectric states, yielding a tetragonal ground state even without strain coupling. C1 Oak Ridge Natl Lab, Mat Sci & Techol Div, Oak Ridge, TN 37831 USA. Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. RP Bilc, DI (reprint author), Oak Ridge Natl Lab, Mat Sci & Techol Div, POB 2008, Oak Ridge, TN 37831 USA. RI Singh, David/I-2416-2012; Bilc, Daniel/E-8985-2012 OI Bilc, Daniel/0000-0002-4298-4250 NR 26 TC 54 Z9 54 U1 3 U2 20 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 14 PY 2006 VL 96 IS 14 AR 147602 DI 10.1103/PhysRevLett.96.147602 PG 4 WC Physics, Multidisciplinary SC Physics GA 032TI UT WOS:000236797200069 PM 16712120 ER PT J AU Blaschke, DB Prozorkevich, AV Roberts, CD Schmidt, SM Smolyansky, SA AF Blaschke, DB Prozorkevich, AV Roberts, CD Schmidt, SM Smolyansky, SA TI Pair production and optical lasers SO PHYSICAL REVIEW LETTERS LA English DT Article ID SCHWINGER MECHANISM; PARTICLE-PRODUCTION; ALTERNATING FIELD; VACUUM; CREATION; SCATTERING AB Electron-positron pair creation in a standing wave is explored using a parameter-free quantum kinetic equation. Field strengths and frequencies corresponding to modern optical lasers induce a material polarization of the QED vacuum, which may be characterized as a plasma of e(+)e(-) quasiparticle pairs with a density of similar to 10(20) cm(-3). The plasma vanishes almost completely when the laser field is zero, leaving a very small residual pair density n(r) which is the true manifestation of vacuum decay. The average pair density per period is proportional to the laser intensity but independent of the frequency nu. The density of residual pairs also grows with laser intensity but n(r)proportional to nu(2). With optical lasers at the forefront of the current generation, these dynamical QED vacuum effects can plausibly generate 5-10 observable two-photon annihilation events per laser pulse. C1 GSI MbH, D-64291 Darmstadt, Germany. Joint Nucl Res Inst, Bogoliubov Lab Theoret Phys, RU-141980 Dubna, Russia. Saratov NG Chernyshevskii State Univ, RU-410026 Saratov, Russia. Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. Univ Rostock, Inst Phys, D-18051 Rostock, Germany. Helmholtz Gemeinsch, D-53175 Bonn, Germany. RP Blaschke, DB (reprint author), GSI MbH, Planckstr 1, D-64291 Darmstadt, Germany. OI Roberts, Craig/0000-0002-2937-1361 NR 34 TC 86 Z9 88 U1 1 U2 6 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 14 PY 2006 VL 96 IS 14 AR 140402 DI 10.1103/PhysRevLett.96.140402 PG 4 WC Physics, Multidisciplinary SC Physics GA 032TI UT WOS:000236797200002 PM 16712053 ER PT J AU El Gabaly, F Gallego, S Munoz, C Szunyogh, L Weinberger, P Klein, C Schmid, AK McCarty, KF de la Figuera, J AF El Gabaly, F Gallego, S Munoz, C Szunyogh, L Weinberger, P Klein, C Schmid, AK McCarty, KF de la Figuera, J TI Imaging spin-reorientation transitions in consecutive atomic Co layers on Ru(0001) SO PHYSICAL REVIEW LETTERS LA English DT Article ID CO/RU STRAINED SUPERLATTICES; ENERGY-ELECTRON MICROSCOPY; MAGNETIC-ANISOTROPY; THIN-FILMS; GROWTH; SURFACES; W(110) AB By means of spin-polarized low-energy electron microscopy, we show that the magnetic easy axis of one to three atomic-layer thick cobalt films on Ru(0001) changes its orientation twice during deposition: One-monolayer and three-monolayer thick films are magnetized in plane, while two-monolayer films are magnetized out of plane. The Curie temperatures of films thicker than one monolayer are well above room temperature. Fully relativistic calculations based on the screened Korringa-Kohn-Rostoker method demonstrate that only for two-monolayer cobalt films does the interplay between strain, surface, and interface effects lead to perpendicular magnetization. C1 Univ Autonoma Madrid, Dept Fis Mat Condensada, E-28049 Madrid, Spain. Univ Autonoma Madrid, Ctr Microanal Mat, E-28049 Madrid, Spain. CSIC, Inst Ciencia Mat, E-28049 Madrid, Spain. Budpest Univ Technol & Econ, Dept Theoret Phys, H-1521 Budapest, Hungary. Budpest Univ Technol & Econ, Ctr Appl Math & Computat Phys, H-1521 Budapest, Hungary. Vienna Univ Technol, Ctr Computat Mat Sci, A-1060 Vienna, Austria. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Sandia Natl Labs, Livermore, CA 94550 USA. RP El Gabaly, F (reprint author), Univ Autonoma Madrid, Dept Fis Mat Condensada, E-28049 Madrid, Spain. EM farid.elgabaly@uam.es; juan.delafiguera@uam.es RI Szunyogh, Laszlo/A-7956-2010; de la Figuera, Juan/E-7046-2010; Munoz, Carmen/F-6970-2012; McCarty, Kevin/F-9368-2012; Gallego Queipo, Silvia/J-3411-2012; OI de la Figuera, Juan/0000-0002-7014-4777; Munoz, Carmen/0000-0003-1504-1692; McCarty, Kevin/0000-0002-8601-079X; Gallego, Silvia/0000-0003-0915-3276 NR 27 TC 42 Z9 42 U1 1 U2 25 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 14 PY 2006 VL 96 IS 14 AR 147202 DI 10.1103/PhysRevLett.96.147202 PG 4 WC Physics, Multidisciplinary SC Physics GA 032TI UT WOS:000236797200064 PM 16712115 ER PT J AU Frohlich, C Martinez-Pinedo, G Liebendorfer, M Thielemann, FK Bravo, E Hix, WR Langanke, K Zinner, NT AF Frohlich, C Martinez-Pinedo, G Liebendorfer, M Thielemann, FK Bravo, E Hix, WR Langanke, K Zinner, NT TI Neutrino-induced nucleosynthesis of a > 64 nuclei: The nu p process SO PHYSICAL REVIEW LETTERS LA English DT Article ID CORE-COLLAPSE SUPERNOVAE; SOLAR-SYSTEM; MILKY-WAY; ELEMENTS; STARS; CAPTURE; WINDS AB We present a new nucleosynthesis process that we denote as the nu p process, which occurs in supernovae (and possibly gamma-ray bursts) when strong neutrino fluxes create proton-rich ejecta. In this process, antineutrino absorptions in the proton-rich environment produce neutrons that are immediately captured by neutron-deficient nuclei. This allows for the nucleosynthesis of nuclei with mass numbers A > 64, making this process a possible candidate to explain the origin of the solar abundances of Mo-92,Mo-94 and Ru-96,Ru-98. This process also offers a natural explanation for the large abundance of Sr seen in a hyper-metal-poor star. C1 Univ Basel, Dept Phys & Astron, CH-4056 Basel, Switzerland. Univ Autonoma Barcelona, ICREA, E-08193 Barcelona, Spain. Univ Autonoma Barcelona, Inst Estudis Espacials Catalunya, E-08193 Barcelona, Spain. Gesell Schwerionenforsch mbH, D-64291 Darmstadt, Germany. Canadian Inst Theoret Astrophys, Toronto, ON M5S 3H8, Canada. Univ Politecn Cataluna, Dept Fis & Engn Nucl, E-08034 Barcelona, Spain. Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. Tech Univ Darmstadt, Inst Kernphys, D-64289 Darmstadt, Germany. Aarhus Univ, Inst Phys & Astron, DK-8000 Aarhus C, Denmark. RP Univ Basel, Dept Phys & Astron, CH-4056 Basel, Switzerland. RI Hix, William/E-7896-2011; Bravo, Eduardo/B-1790-2008; Frohlich, Carla/C-4841-2012; Martinez-Pinedo, Gabriel/A-1915-2013 OI Hix, William/0000-0002-9481-9126; Martinez-Pinedo, Gabriel/0000-0002-3825-0131 NR 29 TC 263 Z9 265 U1 0 U2 11 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 14 PY 2006 VL 96 IS 14 AR 142502 DI 10.1103/PhysRevLett.96.142502 PG 4 WC Physics, Multidisciplinary SC Physics GA 032TI UT WOS:000236797200015 PM 16712066 ER PT J AU Hastings, MB AF Hastings, MB TI Systematic series expansions for processes on networks SO PHYSICAL REVIEW LETTERS LA English DT Article ID SMALL-WORLD NETWORKS; PERCOLATION; MODEL AB We use series expansions to study dynamics of equilibrium and nonequilibrium systems on networks. This analytical method enables us to include detailed nonuniversal effects of the network structure. We show that even low order calculations produce results which compare accurately to numerical simulation, while the results can be systematically improved. We show that certain commonly accepted analytical results for the critical point on networks with a broad degree distribution need to be modified in certain cases due to disassortativity; the present method is able to take into account the assortativity at sufficiently high order, while previous results correspond to leading and second order approximations in this method. Finally, we apply this method to real-world data. C1 Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Hastings, MB (reprint author), Los Alamos Natl Lab, Ctr Nonlinear Studies, POB 1663, Los Alamos, NM 87545 USA. EM hastings@cnls.lanl.gov NR 15 TC 11 Z9 11 U1 1 U2 3 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 14 PY 2006 VL 96 IS 14 AR 148701 DI 10.1103/PhysRevLett.96.148701 PG 4 WC Physics, Multidisciplinary SC Physics GA 032TI UT WOS:000236797200077 PM 16712128 ER PT J AU Huang, ZR Ruth, RD AF Huang, ZR Ruth, RD TI Fully coherent x-ray pulses from a regenerative-amplifier free-electron laser SO PHYSICAL REVIEW LETTERS LA English DT Article ID FEL AB We propose and analyze a regenerative-amplifier free-electron laser (FEL) to produce fully coherent, hard x-ray pulses. The method makes use of narrow-bandwidth Bragg crystals to form an x-ray feedback loop around a relatively short undulator. Self-amplified spontaneous emission (SASE) from the leading electron bunch in a bunch train is spectrally filtered by the Bragg reflectors and is brought back to the beginning of the undulator to interact repeatedly with subsequent bunches in the bunch train. The FEL interaction with these short bunches regeneratively amplifies the radiation intensity and broadens its spectrum, allowing for effective transmission of the x rays outside the crystal bandwidth. The spectral brightness of these x-ray pulses is about 2 to 3 orders of magnitude higher than that from a single-pass SASE FEL. C1 Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. RP Huang, ZR (reprint author), Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. NR 14 TC 18 Z9 18 U1 0 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 14 PY 2006 VL 96 IS 14 AR 144801 DI 10.1103/PhysRevLett.96.144801 PG 4 WC Physics, Multidisciplinary SC Physics GA 032TI UT WOS:000236797200031 PM 16712082 ER PT J AU Kopnin, NB Mel'nikov, AS Vinokur, VM AF Kopnin, NB Mel'nikov, AS Vinokur, VM TI Resonance energy and charge pumping through quantum SINIS contacts SO PHYSICAL REVIEW LETTERS LA English DT Article ID JOSEPHSON-JUNCTIONS; SUPERCURRENT; TRANSPORT AB We propose a mechanism of quantum pumping mediated by the spectral flow in a voltage-biased superconductor/insulator/normal-metal/insulator/superconductor quantum junction and realized via the sequential closing of the minigaps in the energy spectrum in resonance with the Josephson frequency. We show that the pumped dc current exhibits giant peaks at rational voltages. C1 Aalto Univ, Low Temp Lab, FIN-02015 Helsinki, Finland. LD Landau Theoret Phys Inst, Moscow 117940, Russia. Inst Phys Microstruct, Nizhnii Novgorod 306950, Russia. Argonne Natl Lab, Argonne, IL 60439 USA. RP Aalto Univ, Low Temp Lab, POB 2200, FIN-02015 Helsinki, Finland. RI Mel'nikov, Alexander/E-8099-2017 OI Mel'nikov, Alexander/0000-0002-4241-467X NR 21 TC 10 Z9 10 U1 0 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 14 PY 2006 VL 96 IS 14 AR 146802 DI 10.1103/PhysRevLett.96.146802 PG 4 WC Physics, Multidisciplinary SC Physics GA 032TI UT WOS:000236797200056 PM 16712107 ER PT J AU Ostrom, H Ogasawara, H Naslund, LA Pettersson, LGM Nilsson, A AF Ostrom, H Ogasawara, H Naslund, LA Pettersson, LGM Nilsson, A TI Physisorption-induced C-H bond elongation in methane SO PHYSICAL REVIEW LETTERS LA English DT Article ID ACTIVATED DISSOCIATIVE CHEMISORPTION; PT(111) SURFACE; MOLECULAR-BEAM; PRESSURE GAP; N-OCTANE; CH4; ADSORPTION; CU(110); PHOTOCHEMISTRY; EXCITATION AB Physisorption of methane to a Pt surface was studied by x-ray absorption spectroscopy in combination with density functional theory spectrum calculations. The experiment shows new electronic states appearing upon physisorption. We find that these states are due to orbital mixing causing charge polarization as a means to minimize Pauli repulsion. The results can be explained by elongation of 1 C-H bond by 0.09 angstrom in the physisorbed state even though no covalent chemical bond is formed. C1 Stockholm Univ, AlbaNova Univ Ctr, SE-10691 Stockholm, Sweden. Free Univ Berlin, Fachbereich Phys, D-14195 Berlin, Germany. Stanford Synchrotron Radiat Lab, Stanford, CA 94309 USA. RP Stockholm Univ, AlbaNova Univ Ctr, SE-10691 Stockholm, Sweden. EM nilsson@slac.stanford.edu RI Nilsson, Anders/E-1943-2011; Pettersson, Lars/F-8428-2011; Pettersson, Lars/J-4925-2013; Ogasawara, Hirohito/D-2105-2009 OI Nilsson, Anders/0000-0003-1968-8696; Pettersson, Lars/0000-0003-1133-9934; Ogasawara, Hirohito/0000-0001-5338-1079 NR 31 TC 22 Z9 22 U1 0 U2 17 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 EI 1079-7114 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 14 PY 2006 VL 96 IS 14 AR 146104 DI 10.1103/PhysRevLett.96.146104 PG 4 WC Physics, Multidisciplinary SC Physics GA 032TI UT WOS:000236797200049 PM 16712100 ER PT J AU Pauzauskie, PJ Sirbuly, DJ Yang, PD AF Pauzauskie, PJ Sirbuly, DJ Yang, PD TI Semiconductor nanowire ring resonator laser SO PHYSICAL REVIEW LETTERS LA English DT Article ID SUBWAVELENGTH PHOTONICS INTEGRATION; MODES; CHIP; GAN AB Nanowires of the wide band-gap semiconductor gallium nitride (GaN) have been shown to act as room-temperature uv lasers. Recent advances in nanomanipulation have made it possible to modify the shape of these structures from a linear to a pseudoring conformation. Changes to the optical boundary conditions of the lasing cavity affect the structure's photoluminescence, photon confinement, and lasing as a function of ring diameter. For a given cavity, ring-mode redshifting is observed to increase with decreasing ring diameter. Significant shifts, up to 10 nm for peak emission values, are observed during optical pumping of a ring resonator nanolaser compared to its linear counterpart. The shifting appears to result from conformational changes of the cavity rather than effects such as band-gap renormalization, allowing the mode spacing and position to be tuned with the same nanowire gain medium. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. RP Yang, PD (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM p_yang@berkeley.edu RI Pauzauskie, Peter/A-1316-2014 NR 22 TC 116 Z9 119 U1 9 U2 61 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 14 PY 2006 VL 96 IS 14 AR 143903 DI 10.1103/PhysRevLett.96.143903 PG 4 WC Physics, Multidisciplinary SC Physics GA 032TI UT WOS:000236797200025 PM 16712076 ER PT J AU Tulk, CA Benmore, CJ Klug, DD Neuefeind, J AF Tulk, CA Benmore, CJ Klug, DD Neuefeind, J TI Comment on "Nature of the polyamorphic transition in ice under pressure" SO PHYSICAL REVIEW LETTERS LA English DT Editorial Material ID AMORPHOUS ICE C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Argonne Natl Lab, Argonne, IL 60439 USA. Natl Res Council Canada, Ottawa, ON K0A 0R6, Canada. RP Tulk, CA (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RI Neuefeind, Joerg/D-9990-2015; Tulk, Chris/R-6088-2016; OI Neuefeind, Joerg/0000-0002-0563-1544; Tulk, Chris/0000-0003-3400-3878; Benmore, Chris/0000-0001-7007-7749 NR 11 TC 9 Z9 9 U1 0 U2 3 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 14 PY 2006 VL 96 IS 14 AR 149601 DI 10.1103/PhysRevLett.96.149601 PG 1 WC Physics, Multidisciplinary SC Physics GA 032TI UT WOS:000236797200079 PM 16712130 ER PT J AU Wang, XB Woo, HK Huang, X Kappes, MM Wang, LS AF Wang, XB Woo, HK Huang, X Kappes, MM Wang, LS TI Direct experimental probe of the on-site Coulomb repulsion in the doubly charged fullerene anion C-70(2-) SO PHYSICAL REVIEW LETTERS LA English DT Article ID ELECTRONIC-STRUCTURE; PHOTODETACHMENT; C60; CLUSTERS; DENSITY; IONS; C70; SPECTROSCOPY; ATTACHMENT; GENERATION AB Vibrationally resolved photoelectron spectra were obtained for cold C-70(-) and C-70(2-). Accurate values for the first and second electron affinities (EA's) of C-70 were measured as 2.765 +/- 0.010 and 0.02(-0.03)(+0.01) eV, respectively, establishing that C-70(2-) is an electronically stable dianion in the gas phase. The difference between the first and second EA (2.75 eV) provides a direct experimental measure for the on-site Coulomb and exchange interactions between the two excess electrons in C-70(2-). Strong electron correlation effects were also observed between the two excess electrons in C-70(2-). C1 Washington State Univ, Dept Phys, Richland, WA 99354 USA. Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. Univ Karlsruhe, Inst Chem Phys, D-76128 Karlsruhe, Germany. RP Wang, LS (reprint author), Washington State Univ, Dept Phys, 2710 Univ Dr, Richland, WA 99354 USA. EM ls.wang@pnl.gov NR 33 TC 37 Z9 37 U1 2 U2 15 PU AMERICAN PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD APR 14 PY 2006 VL 96 IS 14 AR 143002 DI 10.1103/PhysRevLett.96.143002 PG 4 WC Physics, Multidisciplinary SC Physics GA 032TI UT WOS:000236797200017 PM 16712068 ER PT J AU Mao, WL Campbell, AJ Heinz, DL Shen, GY AF Mao, WL Campbell, AJ Heinz, DL Shen, GY TI Phase relations of Fe-Ni alloys at high pressure and temperature SO PHYSICS OF THE EARTH AND PLANETARY INTERIORS LA English DT Article DE iron-nickel alloys; earth's core; high pressure; diamond anvil cell; laser-heating; X-ray diffraction ID X-RAY-DIFFRACTION; EARTHS CORE; IN-SITU; IRON-NICKEL; INNER-CORE; COMPRESSION; STABILITY AB Using a diamond anvil cell and double-sided laser-heating coupled with synchrotron X-ray diffraction, we determined phase relations for three compositions of Fe-rich FeNi alloys in situ at high pressure and high temperature. We studied Fe with 5, 15, and 20 wt.% Ni to 55, 62, and 72 GPa, respectively, at temperatures up to similar to 3000 K. Ni stabilizes the face-centered cubic phase to lower temperatures and higher pressure, and this effect increases with increasing pressure. Extrapolation of our experimental results for Fe with 15 wt.% Ni suggests that the stable phase at inner core conditions is hexagonal close packed, although if the temperature at the inner core boundary is higher than similar to 6400 K, a two phase outer region may also exist. Comparison to previous laser-heated diamond anvil cell studies demonstrates the importance of kinetics even at high temperatures. Published by Elsevier B.V. C1 Univ Chicago, Dept Geophys Sci, Chicago, IL 60637 USA. Univ Chicago, Ctr Cosmochem, Chicago, IL 60637 USA. Univ Chicago, James Franck Inst, Chicago, IL 60637 USA. Univ Chicago, Consortium Adv Radiat Sources, Chicago, IL 60637 USA. Carnegie Inst Washington, Geophys Lab, Washington, DC 20015 USA. RP Mao, WL (reprint author), Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, Los Alamos, NM 87545 USA. EM wmao@lanl.gov RI Mao, Wendy/D-1885-2009; Shen, Guoyin/D-6527-2011 NR 20 TC 23 Z9 23 U1 1 U2 20 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0031-9201 J9 PHYS EARTH PLANET IN JI Phys. Earth Planet. Inter. PD APR 14 PY 2006 VL 155 IS 1-2 BP 146 EP 151 DI 10.1016/j.pepi.2005.11.002 PG 6 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 027NM UT WOS:000236422300012 ER PT J AU Bryantsev, VS Hay, BP AF Bryantsev, VS Hay, BP TI Conformational preferences and internal rotation in alkyl- and phenyl-substituted thiourea derivatives SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID MOLECULAR-FORCE FIELD; ANION-BINDING PROPERTIES; C-N BONDS; INFRARED-SPECTRA; NONNUCLEOSIDE INHIBITORS; VIBRATIONAL FREQUENCIES; FERROELECTRIC THIOUREA; LATTICE-VIBRATIONS; NEUTRAL RECEPTORS; RECOGNITION AB Potential energy surfaces (PES) for rotation about the N-C(sp(3)) or N-C(aryl) bond and energies of stationary points on PES for rotation about the C(sp(2))-N bond are reported for methylthiourea, ethylthiourea, isopropylthiourea, tert-butylthiourea, and phenylurea, using the MP2/aug-cc-pVDZ method. Analysis of alkylthioureas shows that conformations, with alkyl groups cis to the Sulfur atom, are more stable (by 0.4-1.5 kcal/mol) than the trans forms. All minima adopt anti configurations with respect to nitrogen pyramidalization. whereas syn configurations are not stationary points on the MP2 potential surface. In contrast, analysis of phenylthiourea reveals that a trans isomer in a syn geometry is the global minimum, whereas a cis isomer in an anti geometry is a local minimum with a relative energy of 2.7 kcal/mol. Rotation about the C(sp(2))-N bond in alkyl and phenyl thioureas is slightly more hindered (9.1 - 10.2 kcal/mol) than the analogous motion in the unsubstituted molecule (8.6 kcal/mol). The maximum barriers to rotation for the methyl, ethyl, isopropyl, tert-butyl, and phenyl substituents are predicted to be 1.2, 8.9, 8.6. 5.3, and 0.9 kcal/mol, respectively. Corresponding PESs are consistent with the experimental dihedral angle distribution observed in crystal structures. The results of the electronic structure calculations are used to benchmark the performance of the MMFF94 force field. Systematic discrepancies between MMFF94 and MP2 results were improved by modification of selected torsion parameters and one of the van der Waals parameters for sulfur. C1 Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. RP Pacific NW Natl Lab, Div Chem Sci, POB 999, Richland, WA 99352 USA. RI Bryantsev, Vyacheslav/M-5111-2016 OI Bryantsev, Vyacheslav/0000-0002-6501-6594 NR 81 TC 30 Z9 30 U1 0 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1089-5639 J9 J PHYS CHEM A JI J. Phys. Chem. A PD APR 13 PY 2006 VL 110 IS 14 BP 4678 EP 4688 DI 10.1021/jp056906e PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 032KK UT WOS:000236773100009 PM 16599434 ER PT J AU Pang, JB Yang, L McCaughey, BF Peng, HS Ashbaugh, HS Brinker, CJ Lu, YF AF Pang, JB Yang, L McCaughey, BF Peng, HS Ashbaugh, HS Brinker, CJ Lu, YF TI Thermochromatism and structural evolution of metastable polydiacetylenic crystals SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID LANGMUIR-BLODGETT-FILMS; TOPOCHEMICAL POLYMERIZATION; SUBSTITUTED DIACETYLENES; OPTICAL-PROPERTIES; COLOR; NANOCOMPOSITES; TRANSITIONS; POLYMERS AB Topochemically polymerized sodium 10,12-pentacosadiynoate (PCDA-Na) microcrystals show an irreversible red-to-blue chromatic transition accompanied by a distinct structural evolution upon initial thermal treatment, and show a subsequent completely reversible blue-to-red chromatic transition upon further thermal stimuli. Visible absorption spectroscopy, X-ray diffraction (XRD), and differential scanning calorimetry (DSC) are used to investigate the thermochromatic transition behavior of the polydiacetylenic microcrystals. Brief quantum mechanical geometry optimization is employed to explain the lattice dimensional change during the irreversible red-to-blue chromatic transition of the metastable polydiacetylenic crystals. C1 Tulane Univ, Dept Chem & Biomol Engn, New Orleans, LA 70118 USA. Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA. RP Lu, YF (reprint author), Tulane Univ, Dept Chem & Biomol Engn, New Orleans, LA 70118 USA. EM ylu@tulane.edu RI Yang, Lu/A-5446-2010; Ashbaugh, Henry/C-9767-2011; Peng, Huisheng/G-8867-2011 NR 20 TC 36 Z9 39 U1 6 U2 21 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD APR 13 PY 2006 VL 110 IS 14 BP 7221 EP 7225 DI 10.1021/jp060309q PG 5 WC Chemistry, Physical SC Chemistry GA 032KI UT WOS:000236772900024 PM 16599490 ER PT J AU Liu, P Lightstone, JM Patterson, MJ Rodriguez, JA Muckerman, JT White, MG AF Liu, P Lightstone, JM Patterson, MJ Rodriguez, JA Muckerman, JT White, MG TI Gas-phase interaction of thiophene with the Ti8C12+ and Ti8C12 met-car clusters SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID METALLOCARBOHEDRENES M8C12; ELECTRONIC-PROPERTIES; TRANSITION-STATES; SULFUR-DIOXIDE; MODEL CATALYST; MOLECULES; ADSORPTION; SURFACES; NANOPARTICLES; CHEMISTRY AB The reactivity of the Ti8C12+ met-car cation toward thiophene was investigated using density functional theory (DFT) and mass selective ion chemistry. It is shown that the experimentally observed mass spectrum can be well described by the DFT calculations. In contrast to the weak bonding interactions seen for thiophene on a TiC(001) surface, the Ti8C12+ met-car cation is able to interact strongly with up to four thiophene molecules with the cluster staying intact. In the most stable conformation, the thiophene molecules bond to the four low-coordinated Ti-0 sites of Ti8C12+ via a eta(5)-C,S coordination. The stability and the activity of the Ti8C12+ met-car is observed to increase with an increasing number of attached thiophene molecules at the Ti-0 sites, which is associated with a significant transfer of electron density from thiophene to the cluster. The additional electron density on the Ti8C12+ cation cluster, however, is not sufficient to cleave the C-S bonds of thiophene and the dissociation reaction of thiophene is predicted to be a highly activated process. By contrast, DFT calculations for the neutral Ti8C12 met-car predict that the dissociation reaction leading to adsorbed S and C4H4 fragments is energetically favorable for the first thiophene molecule. The binding behavior for subsequent addition of thiophene molecules to the neutral met-car is also presented and compared to that of the cation. C1 Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. SUNY Stony Brook, Dept Chem, Stony Brook, NY 11794 USA. RP Liu, P (reprint author), Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. EM pingliu3@bnl.gov RI Muckerman, James/D-8752-2013 NR 34 TC 17 Z9 17 U1 0 U2 11 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1520-6106 J9 J PHYS CHEM B JI J. Phys. Chem. B PD APR 13 PY 2006 VL 110 IS 14 BP 7449 EP 7455 DI 10.1021/jp060340s PG 7 WC Chemistry, Physical SC Chemistry GA 032KI UT WOS:000236772900058 PM 16599524 ER PT J AU White, TD WoldeGabriel, G Asfaw, B Ambrose, S Beyene, Y Bernor, RL Boisserie, JR Currie, B Gilbert, H Haile-Selassie, Y Hart, WK Hlusko, LJ Howell, FC Kono, RT Lehmann, T Louchart, A Lovejoy, CO Renne, PR Saegusa, H Vrba, ES Wesselman, H Suwa, G AF White, TD WoldeGabriel, G Asfaw, B Ambrose, S Beyene, Y Bernor, RL Boisserie, JR Currie, B Gilbert, H Haile-Selassie, Y Hart, WK Hlusko, LJ Howell, FC Kono, RT Lehmann, T Louchart, A Lovejoy, CO Renne, PR Saegusa, H Vrba, ES Wesselman, H Suwa, G TI Asa Issie, aramis and the origin of Australopithecus SO NATURE LA English DT Article ID MIDDLE AWASH VALLEY; ENAMEL THICKNESS; ALLIA BAY; ISOTOPIC EVIDENCE; EARLY HOMINID; AFAR RIFT; ETHIOPIA; ANAMENSIS; KENYA; MIOCENE AB The origin of Australopithecus, the genus widely interpreted as ancestral to Homo, is a central problem in human evolutionary studies. Australopithecus species differ markedly from extant African apes and candidate ancestral hominids such as Ardipithecus, Orrorin and Sahelanthropus. The earliest described Australopithecus species is Au. anamensis, the probable chronospecies ancestor of Au. afarensis. Here we describe newly discovered fossils from the Middle Awash study area that extend the known Au. anamensis range into northeastern Ethiopia. The new fossils are from chronometrically controlled stratigraphic sequences and date to about 4.1-4.2 million years ago. They include diagnostic craniodental remains, the largest hominid canine yet recovered, and the earliest Australopithecus femur. These new fossils are sampled from a woodland context. Temporal and anatomical intermediacy between Ar. ramidus and Au. afarensis suggest a relatively rapid shift from Ardipithecus to Australopithecus in this region of Africa, involving either replacement or accelerated phyletic evolution. C1 Univ Calif Berkeley, Museum Vertebrate Zool, Human Evolut Res Ctr, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Integrat Biol, Berkeley, CA 94720 USA. Los Alamos Natl Lab, Hydrol Geochem & Geol Grp, Los Alamos, NM 87545 USA. Rift Valley Res Serv, Addis Ababa, Ethiopia. Univ Illinois, Dept Anthropol, Urbana, IL 61801 USA. Minist Youth Sports & Culture, Dept Anthropol & Archaeol, Author Res & Conservat Cultural Heritage, Addis Ababa, Ethiopia. Howard Univ, Coll Med, Dept Anat, Lab Evolutionary Biol, Washington, DC 20059 USA. Museum Natl Hist Nat, Unite Paleobiodivers & Paleoenvironm, CNRS, UMR 5143,Dept Hist Terre,USM 0203, F-75005 Paris, France. Univ Poitiers, UMR 6046, Lab Geobiol Biochronol & Paleontol Humaine, F-86022 Poitiers, France. Miami Univ, Dept Geol, Oxford, OH 45056 USA. Cleveland Museum Nat Hist, Dept Phys Anthropol, Cleveland, OH 44106 USA. Museum Nat Sci, Dept Anthropol, Shinjuku Ku, Tokyo 1690073, Japan. Transvaal Museum, Palaeontol Sect, ZA-0001 Pretoria, South Africa. Univ Lyon 1, Lab Paleoenvironm & Paleobiosphere, UMR 5125, F-69622 Villeurbanne, France. Kent State Univ, Dept Anthropol, Kent, OH 44242 USA. Kent State Univ, Div Biomed Sci, Kent, OH 44242 USA. Berkeley Geochronol Ctr, Berkeley, CA 94709 USA. Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. Univ Hyogo, Inst Nat & Environm Sci, Yayoigaoka, Sanda 6691546, Japan. Yale Univ, Dept Geol & Geophys, New Haven, CT 06520 USA. Sierra Coll, Nat Hist Museum, Rocklin, CA 95677 USA. Univ Tokyo, Univ Museum, Bunkyo Ku, Tokyo 1130033, Japan. RP White, TD (reprint author), Univ Calif Berkeley, Museum Vertebrate Zool, Human Evolut Res Ctr, 3101 Valley Life Sci Bldg, Berkeley, CA 94720 USA. EM timwhite@berkeley.edu NR 50 TC 126 Z9 133 U1 4 U2 31 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 J9 NATURE JI Nature PD APR 13 PY 2006 VL 440 IS 7086 BP 883 EP 889 DI 10.1038/nature04629 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 031WU UT WOS:000236736700030 PM 16612373 ER PT J AU Ro, DK Paradise, EM Ouellet, M Fisher, KJ Newman, KL Ndungu, JM Ho, KA Eachus, RA Ham, TS Kirby, J Chang, MCY Withers, ST Shiba, Y Sarpong, R Keasling, JD AF Ro, DK Paradise, EM Ouellet, M Fisher, KJ Newman, KL Ndungu, JM Ho, KA Eachus, RA Ham, TS Kirby, J Chang, MCY Withers, ST Shiba, Y Sarpong, R Keasling, JD TI Production of the antimalarial drug precursor artemisinic acid in engineered yeast SO NATURE LA English DT Article ID CATALYZES 3 STEPS; GIBBERELLIN BIOSYNTHESIS; SACCHAROMYCES-CEREVISIAE; EXPRESSION; MALARIA; PATHWAY; CYTOCHROME-P450; IDENTIFICATION; REDUCTASE; OXIDASE AB Malaria is a global health problem that threatens 300-500 million people and kills more than one million people annually(1). Disease control is hampered by the occurrence of multi-drug-resistant strains of the malaria parasite Plasmodium falciparum(2,3). Synthetic antimalarial drugs and malarial vaccines are currently being developed, but their efficacy against malaria awaits rigorous clinical testing(4,5). Artemisinin, a sesquiterpene lactone endoperoxide extracted from Artemisia annua L (family Asteraceae; commonly known as sweet wormwood), is highly effective against multi-drug-resistant Plasmodium spp., but is in short supply and unaffordable to most malaria sufferers(6). Although total synthesis of artemisinin is difficult and costly(7), the semi-synthesis of artemisinin or any derivative from microbially sourced artemisinic acid, its immediate precursor, could be a cost-effective, environmentally friendly, high-quality and reliable source of artemisinin(8,9). Here we report the engineering of Saccharomyces cerevisiae to produce high titres (up to 100 mg l(-1)) of artemisinic acid using an engineered mevalonate pathway, amorphadiene synthase, and a novel cytochrome P450 monooxygenase (CYP71AV1) from A. annua that performs a three-step oxidation of amorpha-4,11-diene to artemisinic acid. The synthesized artemisinic acid is transported out and retained on the outside of the engineered yeast, meaning that a simple and inexpensive purification process can be used to obtain the desired product. Although the engineered yeast is already capable of producing artemisinic acid at a significantly higher specific productivity than A. annua, yield optimization and industrial scale-up will be required to raise artemisinic acid production to a level high enough to reduce artemisinin combination therapies to significantly below their current prices. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Calif Inst Quantitat Biomed Res, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Chem Engn, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Bioengn, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley Ctr Synth Biol, Berkeley, CA 94720 USA. Amyris Biotechnol Inc, Emeryville, CA 94608 USA. RP Keasling, JD (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Calif Inst Quantitat Biomed Res, Berkeley, CA 94720 USA. EM keasling@berkeley.edu RI Keasling, Jay/J-9162-2012; Ro, Dae-Kyun/G-9289-2012 OI Keasling, Jay/0000-0003-4170-6088; Ro, Dae-Kyun/0000-0003-1288-5347 NR 26 TC 1126 Z9 1280 U1 57 U2 607 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 J9 NATURE JI Nature PD APR 13 PY 2006 VL 440 IS 7086 BP 940 EP 943 DI 10.1038/nature04640 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 031WU UT WOS:000236736700042 PM 16612385 ER PT J AU Wilson, RM Thalji, RK Bergman, RG Ellman, JA AF Wilson, RM Thalji, RK Bergman, RG Ellman, JA TI Enantioselective synthesis of a PKC inhibitor via catalytic C-H bond activation SO ORGANIC LETTERS LA English DT Article ID ASYMMETRIC-SYNTHESIS; ORTHO-ALKYLATION; AROMATIC IMINES; OLEFINS; COMPLEXES; KETONES AB The syntheses of two biologically active molecules possessing dihydropyrroloindole cores (1 and 2) were completed using rhodium-catalyzed imine-directed CA bond functionalization, with the second of these molecules containing a stereocenter that can be set with 90% ee during cyclization using chiral nonracemic phosphoramidite ligands. Catalytic decarbonylation and direct indole/maleimide coupling provide efficient access to 2. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Bergman, RG (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM rbergman@berkeley.edu; jellman@uclink.bereley.edu RI Ellman, Jonathan/C-7732-2013 FU NIGMS NIH HHS [GM069559, R01 GM069559] NR 23 TC 77 Z9 78 U1 0 U2 9 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1523-7060 J9 ORG LETT JI Org. Lett. PD APR 13 PY 2006 VL 8 IS 8 BP 1745 EP 1747 DI 10.1021/ol060485h PG 3 WC Chemistry, Organic SC Chemistry GA 034SH UT WOS:000236950400059 PM 16597156 ER PT J AU Dracoulis, GD Lane, GJ Kondev, FG Byrne, AP Hughes, RO Nieminen, P Watanabe, H Carpenter, MP Janssens, RVF Lauritsen, T Seweryniak, D Zhu, S Chowdhury, P Xu, FR AF Dracoulis, GD Lane, GJ Kondev, FG Byrne, AP Hughes, RO Nieminen, P Watanabe, H Carpenter, MP Janssens, RVF Lauritsen, T Seweryniak, D Zhu, S Chowdhury, P Xu, FR TI Two-quasiparticle K-isomers and pairing strengths in the neutron-rich isotopes Er-174 and Er-172 SO PHYSICS LETTERS B LA English DT Article DE isomers; Er-172; Er-174; PES calculations; pairing strength ID DEEP-INELASTIC REACTIONS; NUCLEI; HF-178; SPECTROSCOPY; EXCITATION; STATES; BAND AB Isomeric two-quasi particle states have been identified in the neutron-rich isotopes Er-172 and Er-174 using multi-nucleon transfer reactions with Xe-136 beams incident on various targets, and gamma-ray spectroscopy with Gammasphere. A candidate for the K-pi = 6(+) two-quasi neutron state in 172Er is found at 1500 keV In Er-174, a nuclide whose level scheme was previously unknown, a long-lived isomer is identified at 1112 keV decaying via an inhibited E1 transition and revealing the yrast sequence of Er-174. This isomer is proposed to be a K-pi = 8(-) two-quasi neutron state, defining a sequence in the N = 106 isotones extending from the well-deformed neutron-rich isotope Er-174 to the neutron-deficient isotope Pb-188, where the presence of the isomer signifies a prolate minimum in an otherwise spherical well. Configuration-constrained potential-energy surface calculations are used to predict the excitation energies of the 6(+) and 8(-) intrinsic states and as a basis for extracting the pairing force strength, G(n), in the N = 104 and N = 106 isotones. (c) 2006 Elsevier B.V. All rights reserved. C1 Australian Natl Univ, Dept Nucl Phys, RS Phys SE, Canberra, ACT 0200, Australia. Argonne Natl Lab, Nucl Engn Div, Argonne, IL USA. Australian Natl Univ, Dept Phys, Canberra, ACT 0200, Australia. Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. Univ Massachusetts, Dept Phys, Lowell, MA 01854 USA. Peking Univ, Sch Phys, Beijing 100871, Peoples R China. RP Dracoulis, GD (reprint author), Australian Natl Univ, Dept Nucl Phys, RS Phys SE, Canberra, ACT 0200, Australia. EM george.dracoulis@anu.edu.au RI Dracoulis, George/A-8123-2008; Lane, Gregory/A-7570-2011; Xu, Furong/K-4178-2013; Carpenter, Michael/E-4287-2015; OI Lane, Gregory/0000-0003-2244-182X; Carpenter, Michael/0000-0002-3237-5734; Byrne, Aidan/0000-0002-7096-6455 NR 30 TC 37 Z9 39 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 J9 PHYS LETT B JI Phys. Lett. B PD APR 13 PY 2006 VL 635 IS 4 BP 200 EP 206 DI 10.1016/j.physletb.2006.02.057 PG 7 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 030JL UT WOS:000236630600004 ER PT J AU Whiteman, DN Russo, F Demoz, B Miloshevich, LM Veselovskii, I Hannon, S Wang, Z Vomel, H Schmidlin, F Lesht, B Moore, PJ Beebe, AS Gambacorta, A Barnet, C AF Whiteman, DN Russo, F Demoz, B Miloshevich, LM Veselovskii, I Hannon, S Wang, Z Vomel, H Schmidlin, F Lesht, B Moore, PJ Beebe, AS Gambacorta, A Barnet, C TI Analysis of Raman lidar and radiosonde measurements from the AWEX-G field campaign and its relation to Aqua validation SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID WATER-VAPOR MEASUREMENTS; MICROWAVE RADIOMETER; TEMPERATURE; RETRIEVALS; HYGROMETER; PROFILES; HUMIDITY; PROJECT; LINE AB [1] Early work within the Aqua validation activity revealed there to be large differences in water vapor measurement accuracy among the various technologies in use for providing validation data. The validation measurements were made at globally distributed sites making it difficult to isolate the sources of the apparent measurement differences among the various sensors, which included both Raman lidar and radiosonde. Because of this, the AIRS Water Vapor Experiment - Ground (AWEX-G) was held in October-November 2003 with the goal of bringing validation technologies to a common site for intercomparison and resolving the measurement discrepancies. Using the University of Colorado Cryogenic Frostpoint Hygrometer (CFH) as the water vapor reference, the AWEX-G field campaign permitted correction techniques to be validated for Raman lidar, Vaisala RS80-H and RS90/92 that significantly improve the absolute accuracy of water vapor measurements from these systems particularly in the upper troposphere. Mean comparisons of radiosondes and lidar are performed demonstrating agreement between corrected sensors and the CFH to generally within 5% thereby providing data of sufficient accuracy for Aqua validation purposes. Examples of the use of the correction techniques in radiance and retrieval comparisons are provided and discussed. C1 NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. Univ Maryland Baltimore Cty, Dept Phys, Baltimore, MD 21250 USA. Natl Ctr Atmospher Res, Boulder, CO 80307 USA. Univ Maryland Baltimore Cty, Goddard Earth Sci & Technol Ctr, Baltimore, MD 21228 USA. Univ Wyoming, Dept Atmospher Sci, Laramie, WY 82071 USA. Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. US DOE, Argonne Natl Lab, Chicago, IL USA. LJT & Associates, Wallops Isl, VA USA. SGT Inc, Greenbelt, MD USA. NOAA, Camp Springs, MD 20746 USA. RP Whiteman, DN (reprint author), NASA, Goddard Space Flight Ctr, Code 613-1, Greenbelt, MD 20771 USA. EM david.n.whiteman@nasa.gov RI Gambacorta, Antonia/E-7937-2011; Wang, Zhien/F-4857-2011; Barnet, Christopher/F-5573-2010; Demoz, Belay/N-4130-2014; OI Gambacorta, Antonia/0000-0002-2446-9132; Lesht, Barry/0000-0003-0801-4290 NR 21 TC 26 Z9 26 U1 0 U2 3 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD APR 12 PY 2006 VL 111 IS D9 AR D09S09 DI 10.1029/2005JD006429 PG 15 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 039DS UT WOS:000237282100001 ER PT J AU Jiang, XM Brinker, CJ AF Jiang, XM Brinker, CJ TI Aerosol-assisted self-assembly of single-crystal core/nanoporous shell particles as model controlled release capsules SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID SILICA; NANOPARTICLES; MOLECULES; SYSTEM; MCM-41 C1 Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87106 USA. Univ New Mexico, Ctr MicroEngineered Mat, Albuquerque, NM 87106 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Brinker, CJ (reprint author), Univ New Mexico, Dept Chem & Nucl Engn, Albuquerque, NM 87106 USA. EM cjbrink@sandia.gov RI jiang, xingmao /H-3554-2013 NR 16 TC 95 Z9 96 U1 3 U2 34 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD APR 12 PY 2006 VL 128 IS 14 BP 4512 EP 4513 DI 10.1021/ja058260+ PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 032JI UT WOS:000236770300008 PM 16594654 ER PT J AU Shen, XF Ding, YS Hanson, JC Aindow, M Suib, SL AF Shen, XF Ding, YS Hanson, JC Aindow, M Suib, SL TI In situ synthesis of mixed-valent manganese oxide nanocrystals: An in situ synchrotron x-ray diffraction study SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID HYDROTHERMAL SYNTHESIS; GROWTH C1 Univ Connecticut, Inst Mat Sci, Dept Chem, Storrs, CT 06269 USA. Univ Connecticut, Dept Chem Engn, Storrs, CT 06269 USA. Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Suib, SL (reprint author), Univ Connecticut, Inst Mat Sci, Dept Chem, 55 N Eagleville Rd, Storrs, CT 06269 USA. EM steven.suib@uconn.edu RI Aindow, Mark/E-5282-2010; Hanson, jonathan/E-3517-2010 OI Aindow, Mark/0000-0001-6617-1409; NR 16 TC 62 Z9 63 U1 5 U2 23 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD APR 12 PY 2006 VL 128 IS 14 BP 4570 EP 4571 DI 10.1021/ja058456+ PG 2 WC Chemistry, Multidisciplinary SC Chemistry GA 032JI UT WOS:000236770300037 PM 16594683 ER PT J AU Groenewold, GS Gianotto, AK Cossel, KC Van Stipdonk, MJ Moore, DT Polfer, N Oomens, J de Jong, WA Visscher, L AF Groenewold, GS Gianotto, AK Cossel, KC Van Stipdonk, MJ Moore, DT Polfer, N Oomens, J de Jong, WA Visscher, L TI Vibrational spectroscopy of mass-selected [UO2(ligand)(n)](2+) complexes in the gas phase: Comparison with theory SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Review ID COLLISION-INDUCED DISSOCIATION; EFFECTIVE CORE POTENTIALS; TRANSITION-STATE METHOD; ENERGY-ADJUSTED PSEUDOPOTENTIALS; DENSITY-FUNCTIONAL CALCULATIONS; URANYL-ION; RAMAN-SPECTRA; ELECTRONIC-STRUCTURE; AQUEOUS-SOLUTIONS; LASER-ABLATION AB The gas-phase infrared spectra of discrete uranyl ([UO2](2+)) complexes ligated with acetone and/ or acetonitrile were used to evaluate systematic trends of ligation on the position of the O=U=O stretch and to enable rigorous comparison with the results of computational studies. Ionic uranyl complexes isolated in a Fourier transform ion cyclotron resonance mass spectrometer were fragmented via infrared multiphoton dissociation using a free electron laser scanned over the mid-IR wavelengths. The asymmetric O=U=O stretching frequency was measured at 1017 cm(-1) for [UO2(CH3COCH3)(2)](2+) and was systematically red shifted to 1000 and 988 cm-1 by the addition of a third and fourth acetone ligand, respectively, which was consistent with increased donation of electron density to the uranium center in complexes with higher coordination number. The values generated computationally using LDA, B3LYP, and ZORA-PW91 were in good agreement with experimental measurements. In contrast to the uranyl frequency shifts, the carbonyl frequencies of the acetone ligands were progressively blue shifted as the number of ligands increased from two to four and approached that of free acetone. This observation was consistent with the formation of weaker noncovalent bonds between uranium and the carbonyl oxygen as the extent of ligation increases. Similar trends were observed for [UO2(CH3CN)(n)](2+) complexes, although the uranyl asymmetric stretching frequencies were greater than those measured for acetone complexes having equivalent coordination, which is consistent with the fact that acetonitrile is a weaker nucleophile than is acetone. This conclusion was confirmed by the uranyl stretching frequencies measured for mixed acetone/acetonitrile complexes, which showed that substitution of one acetone for one acetonitrile produced a modest red shift of 3-6 cm(-1). C1 Idaho Natl Lab, Idaho Falls, ID 83415 USA. Wichita State Univ, Wichita, KS USA. EURATOM, FOM, Inst Plasmafys Rijnhuizen, Nieuwegein, Netherlands. Pacific NW Natl Lab, Richland, WA 99352 USA. Vrije Univ Amsterdam, Amsterdam, Netherlands. RP Groenewold, GS (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM gary.groenewold@inl.gov RI DE JONG, WIBE/A-5443-2008; Moore, David/A-7393-2008; Visscher, Lucas/A-3523-2010; Oomens, Jos/F-9691-2015 OI DE JONG, WIBE/0000-0002-7114-8315; Visscher, Lucas/0000-0002-7748-6243; NR 125 TC 70 Z9 71 U1 2 U2 43 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD APR 12 PY 2006 VL 128 IS 14 BP 4802 EP 4813 DI 10.1021/ja058106n PG 12 WC Chemistry, Multidisciplinary SC Chemistry GA 032JI UT WOS:000236770300071 PM 16594717 ER PT J AU Dehal, PS Boore, JL AF Dehal, Paramvir S. Boore, Jeffrey L. TI A phylogenomic gene cluster resource: the Phylogenetically Inferred Groups (PhIGs) database SO BMC BIOINFORMATICS LA English DT Article ID EUKARYOTIC GENOMES; PROTEIN FAMILIES; DOMAINS; PRESERVATION; ALIGNMENT AB Background: We present here the PhIGs database, a phylogenomic resource for sequenced genomes. Although many methods exist for clustering gene families, very few attempt to create truly orthologous clusters sharing descent from a single ancestral gene across a range of evolutionary depths. Although these non-phylogenetic gene family clusters have been used broadly for gene annotation, errors are known to be introduced by the artifactual association of slowly evolving paralogs and lack of annotation for those more rapidly evolving. A full phylogenetic framework is necessary for accurate inference of function and for many studies that address pattern and mechanism of the evolution of the genome. The automated generation of evolutionary gene clusters, creation of gene trees, determination of orthology and paralogy relationships, and the correlation of this information with gene annotations, expression information, and genomic context is an important resource to the scientific community. Discussion: The PhIGs database currently contains 23 completely sequenced genomes of fungi and metazoans, containing 409,653 genes that have been grouped into 42,645 gene clusters. Each gene cluster is built such that the gene sequence distances are consistent with the known organismal relationships and in so doing, maximizing the likelihood for the clusters to represent truly orthologous genes. The PhIGs website contains tools that allow the study of genes within their phylogenetic framework through keyword searches on annotations, such as GO and InterPro assignments, and sequence similarity searches by BLAST and HMM. In addition to displaying the evolutionary relationships of the genes in each cluster, the website also allows users to view the relative physical positions of homologous genes in specified sets of genomes. Summary: Accurate analyses of genes and genomes can only be done within their full phylogenetic context. The PhIGs database and corresponding website http://phigs.org address this problem for the scientific community. Our goal is to expand the content as more genomes are sequenced and use this framework to incorporate more analyses. C1 DOE Joint Genome Inst, Evolutionary Genom Dept, Walnut Creek, CA 94598 USA. Lawrence Berkeley Natl Lab, Walnut Creek, CA 94598 USA. Univ Calif Berkeley, Dept Integrat Biol, Berkeley, CA 94720 USA. RP Dehal, PS (reprint author), DOE Joint Genome Inst, Evolutionary Genom Dept, 2800 Mitchell Dr, Walnut Creek, CA 94598 USA. EM psdehal@lbl.gov; jlboore@lbl.gov NR 21 TC 41 Z9 41 U1 0 U2 0 PU BIOMED CENTRAL LTD PI LONDON PA MIDDLESEX HOUSE, 34-42 CLEVELAND ST, LONDON W1T 4LB, ENGLAND SN 1471-2105 J9 BMC BIOINFORMATICS JI BMC Bioinformatics PD APR 11 PY 2006 VL 7 AR 201 DI 10.1186/1471-2105-7-201 PG 9 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Mathematical & Computational Biology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Mathematical & Computational Biology GA 067KZ UT WOS:000239302500002 PM 16608522 ER PT J AU Stenchikov, G Hamilton, K Stouffer, RJ Robock, A Ramaswamy, V Santer, B Graf, HF AF Stenchikov, G Hamilton, K Stouffer, RJ Robock, A Ramaswamy, V Santer, B Graf, HF TI Arctic Oscillation response to volcanic eruptions in the IPCC AR4 climate models SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID NORTH-ATLANTIC OSCILLATION; STRATOSPHERIC WATER-VAPOR; SURFACE-TEMPERATURE; PINATUBO ERUPTION; EL-CHICHON; HEMISPHERE WINTER; AIR-TEMPERATURE; GREENHOUSE-GAS; ANNULAR MODE; TROPOSPHERE AB [1] Stratospheric sulfate aerosol particles from strong volcanic eruptions produce significant transient cooling of the troposphere and warming of the lower stratosphere. The radiative impact of volcanic aerosols also produces a response that generally includes an anomalously positive phase of the Arctic Oscillation (AO) that is most pronounced in the boreal winter. The main atmospheric thermal and dynamical effects of eruptions typical of the past century persist for about two years after each eruption. In this paper we evaluate the volcanic responses in simulations produced by seven of the climate models included in the model intercomparison conducted as part of the preparation of the Intergovernmental Panel on Climate Change (IPCC) Fourth Assessment Report (AR4). We consider global effects as well as the regional circulation effects in the extratropical Northern Hemisphere focusing on the AO responses forced by volcanic eruptions. Specifically we analyze results from the IPCC historical runs that simulate the evolution of the circulation over the last part of the 19th century and the entire 20th century using a realistic time series of atmospheric composition ( greenhouse gases and aerosols). In particular, composite anomalies over the two boreal winters following each of the nine largest low-latitude eruptions during the period 1860 - 1999 are computed for various tropospheric and stratospheric fields. These are compared when possible with observational data. The seven IPCC models we analyzed use similar assumptions about the amount of volcanic aerosols formed in the lower stratosphere following the volcanic eruptions that have occurred since 1860. All models produce tropospheric cooling and stratospheric warming as in observations. However, they display a considerable range of dynamic responses to volcanic aerosols. Nevertheless, some general conclusions can be drawn. The IPCC models tend to simulate a positive phase of the Arctic Oscillation in response to volcanic forcing similar to that typically observed. However, the associated dynamic perturbations and winter surface warming over Northern Europe and Asia in the post-volcano winters is much weaker in the models than in observations. The AR4 models also underestimate the variability and long-term trend of the AO. This deficiency affects high-latitude model predictions and may have a similar origin. This analysis allows us to better evaluate volcanic impacts in up-to-date climate models and to better quantify the model Arctic Oscillation sensitivity to external forcing. This potentially could lead to improving model climate predictions in the extratropical latitudes of the Northern Hemisphere. C1 Rutgers State Univ, Dept Environm Sci, New Brunswick, NJ 08901 USA. Univ Hawaii, Int Pacific Res Ctr, Honolulu, HI 96822 USA. Princeton Univ, NOAA, Geophys Fluid Dynam Lab, Princeton, NJ 08542 USA. Lawrence Livermore Natl Lab, Program Climate Model Diagnost & Intercomparison, Livermore, CA 94550 USA. Univ Cambridge, Dept Geog, Cambridge CB2 3EN, England. RP Rutgers State Univ, Dept Environm Sci, 14 Coll Farm Rd, New Brunswick, NJ 08901 USA. EM gera@envsci.rutgers.edu RI Santer, Benjamin/F-9781-2011; Robock, Alan/B-6385-2016; OI Robock, Alan/0000-0002-6319-5656 NR 74 TC 122 Z9 123 U1 6 U2 52 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X EI 2169-8996 J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD APR 11 PY 2006 VL 111 IS D7 AR D07107 DI 10.1029/2005JD006286 PG 17 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 039DO UT WOS:000237281600001 ER PT J AU Jun, Y Zhu, XY Hsu, JWP AF Jun, Y Zhu, XY Hsu, JWP TI Formation of alkanethiol and alkanedithiol monolayers on GaAs(001) SO LANGMUIR LA English DT Article ID SELF-ASSEMBLED MONOLAYERS; GOLD SURFACES; GAAS SURFACE; STRUCTURAL-CHARACTERIZATION; GALLIUM-ARSENIDE; ORGANIC THIOLS; AU(111); AU; FILMS; PASSIVATION AB The formation of alkanethiol (H-(CH(2))(n)-SH, n = 8-18) and 1,8-octanedithiol (HS-(CH(2))(8)-SH) monolayer films on n-type GaAs(001) has been systematically Studied. We observed a nonlinear dependence of the film thickness on molecular length, which is drastically different from monolayer films of the same molecules oil metals. For 8 <= n <= 14. the films are only 3-4.5 angstrom thick, significantly smaller than the corresponding molecular length. For n = 16 and 18, the measured film thicknesses were 9 and 11 angstrom, respectively, consistent with molecules orienting with a tilt angle of similar to 60 degrees from the surface normal. Unlike the alkanethiols, the thickness of the 1,8-octanedithiol monolayer is almost the same as its molecular length, indicating that dithiol molecules orient vertically with only one thiol end croup bound to the GaAs surface. Additional support for this conclusion comes front the fact that X-ray photoelectron spectroscopy of the 1,8-octanedithiol monolayer clearly resolves two types of S atoms in the monolayer: those bound to the GaAs surface and those existing its free thiols. A suggestion was made oil the mechanisms for alkanethiol and alkanedithiol monolayer formation. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA. RP Hsu, JWP (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM jwhsu@sandia.gov RI Jun, F-5077-2010/F-5077-2010 NR 46 TC 65 Z9 65 U1 2 U2 14 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD APR 11 PY 2006 VL 22 IS 8 BP 3627 EP 3632 DI 10.1021/la052473v PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 032AG UT WOS:000236745700031 PM 16584236 ER PT J AU Tang, M Lu, P Valdez, JA Sickafus, KE AF Tang, M Lu, P Valdez, JA Sickafus, KE TI Heavy ion irradiation-induced phase transformation in polycrystalline Dy2O3 SO PHILOSOPHICAL MAGAZINE LA English DT Article ID RARE-EARTH SESQUIOXIDES; HIGH-PRESSURE; ZIRCONIA; OXIDES AB Radiation damage effects in polycrystalline pellets of the rare earth sesquioxide Dy2O3 irradiated with 300 keV Kr2+ ions were studied by combining grazing incidence X-ray diffraction (GIXRD) with transmission electron microscopy (TEM). Radiation damage was introduced using 300 keV Kr2+ ions to fluences up to 1 x 10(20) Krm(-2) at cryogenic temperature. GIXRD and cross-sectional TEM observations revealed that the crystal structure of the irradiated Dy2O3 transformed from a cubic, so-called C-type rare earth sesquioxide structure to a monoclinic, B-type rare earth sesquioxide structure upon ion irradiation. In addition, TEM and high-resolution electron microscopy (HREM) indicated that the transformed surface Dy2O3 layer adopts an epitaxial orientation relationship with the substrate Dy2O3. C1 Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. New Mexico Inst Min & Technol, Dept Mat Engn, Socorro, NM 87801 USA. RP Sickafus, KE (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. EM kurt@lanl.gov NR 18 TC 12 Z9 12 U1 0 U2 4 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1478-6435 J9 PHILOS MAG JI Philos. Mag. PD APR 11 PY 2006 VL 86 IS 11 BP 1597 EP 1613 DI 10.1080/14786430500402060 PG 17 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Physics, Applied; Physics, Condensed Matter SC Materials Science; Metallurgy & Metallurgical Engineering; Physics GA 027BQ UT WOS:000236389100008 ER PT J AU Carkeet, C Dueker, SR Lango, J Buchholz, BA Miller, JW Green, R Hammock, BD Roth, JR Anderson, PJ AF Carkeet, C Dueker, SR Lango, J Buchholz, BA Miller, JW Green, R Hammock, BD Roth, JR Anderson, PJ TI Human vitamin B-12 absorption measurement by accelerator mass spectrometry using specifically labeled C-14-cobalamin SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE dimethylbenzimidazole; ethanolamine; metabolic engineering; Salmonella; Schilling test ID SALMONELLA-TYPHIMURIUM; COBALAMIN DEFICIENCY; BIOCHEMICAL SAMPLES; PERNICIOUS-ANEMIA; BIOSYNTHESIS; OPERON; RADIOACTIVITY; GRAPHITE; SYSTEM AB There is a need for an improved test of human ability to assimilate dietary vitamin B-12. Assaying and understanding absorption and uptake of B-12 is important because defects can lead to hematological and neurological complications. Accelerator mass spectrometry is uniquely suited for assessing absorption and kinetics of carbon-14 (C-14)-Iabeled substances after oral ingestion because it is more sensitive than decay counting and can measure levels of C-14 in microliter volumes of biological samples with negligible exposure of subjects to radioactivity. The test we describe employs amounts of B-12 in the range of normal dietary intake. The B-12 used was quantitatively labeled with C-14 at one particular atom of the dimethylbenzimidazole (DMB) moiety by exploiting idiosyncrasies of Salmonella metabolism. To grow aerobically on ethanolamine, Salmonella enterica must be provided with either preformed B-12 or two of its precursors, cobinamide and DMB. When provided with C-14-DMB specifically labeled in the C2 position, cells produced C-14-B-12 of high specific activity (2.1 GBq/mmol, 58 mCi/mmol) (1 Ci = 37 GBq) and no detectable dilution of label from endogenous DMB synthesis. In a human kinetic study, a physiological dose (1.5 mu g, 2.2 kBq/59 nCi) of purified C-14-B-12 was administered and showed plasma appearance and clearance curves consistent with the predicted behavior of the pure vitamin. This method opens new avenues for study of B-12 assimilation. C1 Univ Calif Davis, Microbiol Sect, Davis, CA 95616 USA. Univ Calif Davis, Dept Nutr, Davis, CA 95616 USA. Univ Calif Davis, Dept Mol Biosci, Davis, CA 95616 USA. Univ Calif Davis, Dept Entomol, Davis, CA 95616 USA. Univ Calif Davis, Canc Res Ctr, Davis, CA 95616 USA. Vitalea Sci, Woodland, CA 95776 USA. Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94551 USA. Univ Calif Davis, Dept Med Pathol & Lab Med, Sacramento, CA 95817 USA. RP Anderson, PJ (reprint author), Univ Calif Davis, Microbiol Sect, Davis, CA 95616 USA. EM jrroth@ucdavis.edu; pan@ucdavis.edu RI Buchholz, Bruce/G-1356-2011 FU NCRR NIH HHS [P41 RR013461, RR 13461]; NIDDK NIH HHS [R21 DK064302, DK064302]; NIEHS NIH HHS [P30 ES005707, F32 ES005707, P01 ES011269, P01 ES11269, P42 ES004699, P42 ES04699, P42 ES05707]; NIGMS NIH HHS [GM34804] NR 26 TC 27 Z9 27 U1 1 U2 5 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD APR 11 PY 2006 VL 103 IS 15 BP 5694 EP 5699 DI 10.1073/pnas.0601251103 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 034AK UT WOS:000236896200013 PM 16585531 ER PT J AU Germann, TC Kadau, K Longini, IM Macken, CA AF Germann, TC Kadau, K Longini, IM Macken, CA TI Mitigation strategies for pandemic influenza in the United States SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE antiviral agents; infectious diseases; simulation modeling; social network dynamics; vaccines ID CHILDREN; VACCINE; MODEL; AGE AB Recent human deaths due to infection by highly pathogenic (H5N1) avian influenza A virus have raised the specter of a devastating pandemic like that of 1917-1918, should this avian virus evolve to become readily transmissible among humans. We introduce and use a large-scale stochastic simulation model to investigate the spread of a pandemic strain of influenza virus through the U.S. population of 281 million individuals for R-0 (the basic reproductive number) from 1.6 to 2.4. We model the impact that a variety of levels and combinations of influenza antiviral agents, vaccines, and modified social mobility (including school closure and travel restrictions) have on the timing and magnitude of this spread. Our simulations demonstrate that, in a highly mobile population, restricting travel after an outbreak is detected is likely to delay slightly the time course of the outbreak without impacting the eventual number ill. For R-0 < 1.9, our model suggests that the rapid production and distribution of vaccines, even if poorly matched to circulating strains, could significantly slow disease spread and limit the number ill to < 10% of the population, particularly if children are preferentially vaccinated. Alternatively, the aggressive deployment of several million courses of influenza antiviral agents in a targeted prophylaxis strategy may contain a nascent outbreak with low R-0, provided adequate contact tracing and distribution capacities exist. For higher R-0, we predict that multiple strategies in combination (involving both social and medical interventions) will be required to achieve similar limits on illness rates. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Fred Hutchinson Canc Res Ctr, Program Biostat & Biomat, Seattle, WA 98109 USA. Univ Washington, Dept Biostat, Sch Publ Hlth & Community Med, Seattle, WA 98109 USA. RP Germann, TC (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM tcg@lanl.gov OI Germann, Timothy/0000-0002-6813-238X FU NIGMS NIH HHS [U01-GM070749, U01 GM070749] NR 20 TC 554 Z9 574 U1 4 U2 40 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD APR 11 PY 2006 VL 103 IS 15 BP 5935 EP 5940 DI 10.1073/pnas.0601266103 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 034AK UT WOS:000236896200054 PM 16585506 ER PT J AU Zhang, YQ Liu, HH Zhou, QL Finsterle, S AF Zhang, YQ Liu, HH Zhou, QL Finsterle, S TI Effects of diffusive property heterogeneity on effective matrix diffusion coefficient for fractured rock SO WATER RESOURCES RESEARCH LA English DT Article ID PORE-SCALE HETEROGENEITY; MASS-TRANSFER; POROUS-MEDIA; TRACER TESTS; SOLUTE TRANSPORT; INPUT VARIABLES; FLOW; SOILS; MODEL AB Heterogeneities of diffusion properties are likely to influence the effective matrix diffusion coefficient determined from tracer breakthrough curves. The objectives of this study are (1) to examine if it is appropriate to use a single, effective matrix diffusion coefficient to predict breakthrough curves in a fractured formation, (2) to examine if a postulated scale dependence of the effective matrix diffusion coefficient is caused by heterogeneity in diffusion properties, and (3) to examine whether multirate diffusion results in the previously observed time dependence of the effective matrix diffusion coefficient. The results show that the use of a single effective matrix diffusion coefficient is appropriate only if the interchannel and intrachannel variability of diffusion properties is small. The scale dependence of the effective matrix diffusion coefficient is not caused by the studied types of heterogeneity. Finally, the multirate diffusion process does not result in the time dependence of the effective matrix diffusion coefficient. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Zhang, YQ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, MS 90R1116,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM yqzhang@lbl.gov RI Finsterle, Stefan/A-8360-2009; Zhou, Quanlin/B-2455-2009; Zhang, Yingqi/D-1203-2015 OI Finsterle, Stefan/0000-0002-4446-9906; Zhou, Quanlin/0000-0001-6780-7536; NR 24 TC 11 Z9 11 U1 0 U2 7 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0043-1397 J9 WATER RESOUR RES JI Water Resour. Res. PD APR 11 PY 2006 VL 42 IS 4 AR W04405 DI 10.1029/2005WR004513 PG 8 WC Environmental Sciences; Limnology; Water Resources SC Environmental Sciences & Ecology; Marine & Freshwater Biology; Water Resources GA 039EN UT WOS:000237284800001 ER PT J AU Salmassi, F Naulleau, PP Gullikson, EM AF Salmassi, F Naulleau, PP Gullikson, EM TI Spin-on-glass coatings for the generation of superpolished substrates for use in the extreme-ultraviolet region SO APPLIED OPTICS LA English DT Article ID LITHOGRAPHY; ILLUMINATORS AB Substrates intended for use as extreme-ultraviolet (EUV) optics have extremely stringent requirements in terms of finish. These requirements can dramatically increase the cost and fabrication time, especially when nonconventional shapes, such as toroids, are required. Here we present a spin-on-glass resist process capable of generating superpolished parts from inexpensive substrates. The method has been used to render diamond-turned substrates compatible for use as EUV optics. Toroidal diamond-turned optics with starting rms roughness in the 3.3-3.7 nm range have been smoothed to the 0.4-0.6 nm range. EUV reflectometry characterization of these optics has demonstrated reflectivities of approximately 65%. (c) 2006 Optical Society of America. C1 Ctr Xray Opt, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Univ Albany, Coll Nanoscale Sci & Engn, Albany, NY 12203 USA. RP Salmassi, F (reprint author), Ctr Xray Opt, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM spnaulleau@yahoo.com NR 9 TC 6 Z9 6 U1 0 U2 5 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 1559-128X EI 2155-3165 J9 APPL OPTICS JI Appl. Optics PD APR 10 PY 2006 VL 45 IS 11 BP 2404 EP 2408 DI 10.1364/AO.45.002404 PG 5 WC Optics SC Optics GA 031NY UT WOS:000236712500006 PM 16623236 ER PT J AU Adam, AJL Kasalynas, I Hovenier, JN Klaassen, TO Gao, JR Orlova, EE Williams, BS Kumar, S Hu, Q Reno, JL AF Adam, AJL Kasalynas, I Hovenier, JN Klaassen, TO Gao, JR Orlova, EE Williams, BS Kumar, S Hu, Q Reno, JL TI Beam patterns of terahertz quantum cascade lasers with subwavelength cavity dimensions SO APPLIED PHYSICS LETTERS LA English DT Article ID THZ; OPERATION AB The need to reach single-mode lasing and minimize at the same time the electrical dissipation of cryogenically operated terahertz quantum cascade lasers may result in small and subwavelength cavity dimensions. To assess the influence of such dimensions on the shape of the laser emission, we have measured the beam pattern of two metal-metal cavity quantum cascade lasers. The patterns show regular angular intensity variations which depend on the length of the laser cavity. The physical origin of these features is discussed in terms of interference of the coherent radiation emitted by end and side facets of the laser bar. C1 Delft Univ Technol, Fac Sci Appl, Kavli Inst NanoSci Delft, NL-2628 CJ Delft, Netherlands. Russian Acad Sci, Inst Phys & Microstruct, Nizhnii Novgorod 603950, Russia. MIT, Dept Elect Engn & Comp Sci, Res Lab Elect, Cambridge, MA 02139 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Kasalynas, I (reprint author), Delft Univ Technol, Fac Sci Appl, Kavli Inst NanoSci Delft, Lorentzweg 1, NL-2628 CJ Delft, Netherlands. EM j.r.gao@tnw.tudelft.nl RI Williams, Benjamin/B-4494-2013 OI Williams, Benjamin/0000-0002-6241-8336 NR 13 TC 66 Z9 67 U1 3 U2 15 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 10 PY 2006 VL 88 IS 15 AR 151105 DI 10.1063/1.2194889 PG 3 WC Physics, Applied SC Physics GA 032TA UT WOS:000236796400005 ER PT J AU Chen, IC Chen, LH Ye, XR Daraio, C Jin, S Orme, CA Quist, A Lal, R AF Chen, IC Chen, LH Ye, XR Daraio, C Jin, S Orme, CA Quist, A Lal, R TI Extremely sharp carbon nanocone probes for atomic force microscopy imaging SO APPLIED PHYSICS LETTERS LA English DT Article ID GROWTH; FABRICATION; NANOTUBES; TIPS; NANOFIBERS; MORPHOLOGY; FIELD AB A simple and reliable catalyst patterning technique combined with electric-field-guided growth is utilized to synthesize a sharp and high-aspect-ratio carbon nanocone probe on a tipless cantilever for atomic force microscopy. A single carbon nanodot produced by an electron-beam-induced deposition serves as a convenient chemical etch mask for catalyst patterning, thus eliminating the need for complicated, resist-based, electron-beam lithography for a nanoprobe fabrication. A gradual, sputtering-induced size reduction and eventual removal of the catalyst particle at the probe tip during electric-field-guided growth creates a sharp probe with a tip radius of only a few nanometers. These fabrication processes are amenable for the wafer-scale synthesis of multiple probes. High resolution imaging of three-dimensional features and deep trenches, and mechanical durability enabling continuous operation for many hours without noticeable image deterioration have been demonstrated. C1 Univ Calif San Diego, La Jolla, CA 92093 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Univ Calif Santa Barbara, Neurosci Res Inst, Santa Barbara, CA 93106 USA. RP Jin, S (reprint author), Univ Calif San Diego, La Jolla, CA 92093 USA. EM jin@ucsd.edu RI Orme, Christine/A-4109-2009; Quist, Arjan/F-7997-2011; Daraio, Chiara/N-2170-2015 OI Daraio, Chiara/0000-0001-5296-4440 NR 19 TC 32 Z9 32 U1 1 U2 13 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 10 PY 2006 VL 88 IS 15 AR 153102 DI 10.1063/1.2193435 PG 3 WC Physics, Applied SC Physics GA 032TA UT WOS:000236796400067 ER PT J AU Kalinin, SV Jesse, S Liu, WL Balandin, AA AF Kalinin, SV Jesse, S Liu, WL Balandin, AA TI Evidence for possible flexoelectricity in tobacco mosaic viruses used as nanotemplates SO APPLIED PHYSICS LETTERS LA English DT Article ID SCANNING FORCE MICROSCOPY; NANOMETER-SCALE; THIN-FILMS; RESOLUTION; PIEZOELECTRICITY AB Electromechanical coupling in individual tobacco mosaic viruses has been studied using piezoresponse force microscopy. Possible origins of the observed high resolution contrast, including the topographic crosstalk, difference in the elastic properties, and the intrinsic electromechanical coupling due to the piezoelectric and flexoelectric effects are discussed. Using simple estimates, we argue that, due in part to the small size and high symmetry of this particular material system, flexoelectric coupling can dominate the observed electromechanical behavior. The electrical manipulation of the virus particles, essential for nanoelectronic applications for which they are proposed, has also been demonstrated. (c) 2006 American Institute of Physics. C1 Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. Univ Calif Riverside, Dept Elect Engn, Nanodev Lab, Riverside, CA 92521 USA. RP Kalinin, SV (reprint author), Oak Ridge Natl Lab, Condensed Matter Sci Div, POB 2008, Oak Ridge, TN 37831 USA. EM sergei2@ornl.gov RI Balandin, Alexander/F-9230-2011; Kalinin, Sergei/I-9096-2012; Jesse, Stephen/D-3975-2016 OI Kalinin, Sergei/0000-0001-5354-6152; Jesse, Stephen/0000-0002-1168-8483 NR 19 TC 18 Z9 18 U1 1 U2 9 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 10 PY 2006 VL 88 IS 15 AR 153902 DI 10.1063/1.2194008 PG 3 WC Physics, Applied SC Physics GA 032TA UT WOS:000236796400111 ER PT J AU Lee, DR Hagman, A Li, XF Narayanan, S Wang, J Shull, KR AF Lee, DR Hagman, A Li, XF Narayanan, S Wang, J Shull, KR TI Perturbation to the resonance modes by gold nanoparticles in a thin-film-based x-ray waveguide SO APPLIED PHYSICS LETTERS LA English DT Article ID STANDING WAVES; LAYERED MATERIALS; SURFACE-LAYERS; MEMBRANES; ENHANCEMENT AB We demonstrate, for the first time, that the resonance modes in a thin-film-based x-ray waveguide are extremely sensitive to the electron density distribution in the thin film. The resonance modes can be effectively altered by diffusion of a gold nanoparticle submonolayer embedded in the waveguide. Such a perturbation can be observed with dramatic change in x-ray reflectivity and fluorescence data in the low-angle (< 0.5 degrees) resonance regime. Conversely, the quantitative analysis of the perturbation to the resonance modes, x-ray reflectivity, as well as the resonantly excited x-ray fluorescence from gold nanoparticles can be exploited to accurately determine the absolute gold distribution within the profile of the thin-film-based waveguide with subnanometer resolution. C1 Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. RP Lee, DR (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. EM drlee@postech.ac.kr; wangj@aps.anl.gov RI Shull, Kenneth/B-7536-2009 NR 18 TC 8 Z9 8 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 10 PY 2006 VL 88 IS 15 AR 153101 DI 10.1063/1.2191091 PG 3 WC Physics, Applied SC Physics GA 032TA UT WOS:000236796400066 ER PT J AU Li, SX Jones, RE Haller, EE Yu, KM Walukiewicz, W Ager, JW Liliental-Weber, Z Lu, H Schaff, WJ AF Li, SX Jones, RE Haller, EE Yu, KM Walukiewicz, W Ager, JW Liliental-Weber, Z Lu, H Schaff, WJ TI Photoluminescence of energetic particle-irradiated InxGa1-xN alloys SO APPLIED PHYSICS LETTERS LA English DT Article ID FUNDAMENTAL-BAND GAP; SURFACE RECOMBINATION; INN; SEMICONDUCTORS; GAAS AB A study of the photoluminescence characteristics of InxGa1-xN alloys in which the Fermi level is controlled by energetic particle irradiation is reported. In In-rich InxGa1-xN the photoluminescence intensity initially increases with irradiation dose before falling rapidly at high doses. This unusual trend is attributed to the high location of the average energy of the dangling-bond-type native defects (the Fermi level stabilization energy). Our calculations of the photoluminescence intensity based on the effect of the electron concentration and the minority carrier lifetime show good agreement with the experimental data. Finally the blueshift of the photoluminescence signal with increasing electron concentration is explained by the breakdown of momentum conservation due to the irradiation damage. C1 Lawrence Berkeley Lab, Mat Sci Div, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. Cornell Univ, Dept Elect & Comp Engn, Ithaca, NY 14853 USA. RP Li, SX (reprint author), Lawrence Berkeley Lab, Mat Sci Div, Berkeley, CA 94720 USA. EM w_walukiewicz@lbl.gov RI Liliental-Weber, Zuzanna/H-8006-2012; Yu, Kin Man/J-1399-2012; OI Yu, Kin Man/0000-0003-1350-9642; Ager, Joel/0000-0001-9334-9751 NR 18 TC 13 Z9 13 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 10 PY 2006 VL 88 IS 15 AR 151101 DI 10.1063/1.2193799 PG 3 WC Physics, Applied SC Physics GA 032TA UT WOS:000236796400001 ER PT J AU McDonald, JP Mistry, VR Ray, KE Yalisove, SM Nees, JA Moody, NR AF McDonald, JP Mistry, VR Ray, KE Yalisove, SM Nees, JA Moody, NR TI Femtosecond-laser-induced delamination and blister formation in thermal oxide films on silicon (100) SO APPLIED PHYSICS LETTERS LA English DT Article ID PULSE LASER; THIN-FILMS; ABLATION; DAMAGE; THRESHOLDS; MECHANISMS; SIO2 AB Silicon (100) substrates with thermal oxide films of varying thickness were irradiated with single and multiple 150 fs laser pulses at normal and non-normal incidences. A range of laser fluence was found in which a blister or domelike feature was produced where the oxide film was delaminated from the substrate. At normal and non-normal incidences blister features were observed for samples with 54, 147, and 1200 nm of thermal oxide. The blister features were analyzed with optical and atomic force microscopy. In addition, the time frame for blister growth was obtained using pump-probe imaging techniques. C1 Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA. Univ Michigan, Ctr Ultrafast Opt Sci, Ann Arbor, MI 48109 USA. Sandia Natl Labs, Livermore, CA 94551 USA. RP McDonald, JP (reprint author), Univ Michigan, Dept Mat Sci & Engn, 2300 Hayward St, Ann Arbor, MI 48109 USA. EM jpmcdona@umich.edu RI Nees, John/P-4905-2016 OI Nees, John/0000-0001-8277-9123 NR 18 TC 23 Z9 23 U1 0 U2 9 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 10 PY 2006 VL 88 IS 15 AR 153121 DI 10.1063/1.2193777 PG 3 WC Physics, Applied SC Physics GA 032TA UT WOS:000236796400086 ER PT J AU Pozzi, G Beleggia, M Schofield, MA Zhu, Y AF Pozzi, G Beleggia, M Schofield, MA Zhu, Y TI Quantitative shadow technique for the investigation of magnetic domain wall widths SO APPLIED PHYSICS LETTERS LA English DT Article ID INTERFERENCE ELECTRON-MICROSCOPY; OPTICAL PHASE-SHIFTS; ASYMPTOTIC APPROXIMATION; IMAGE WAVEFUNCTION AB Quantitative measurement of domain wall widths in a magnetic thin foil of Nd2Fe14B and a patterned Ni88Fe12 Permalloy element is obtained by the analysis of coherent shadow deformation of an electrostatic biprism in an electron microscope. Information related to the phase gradient in the direction perpendicular to the biprism is extracted by comparing the recorded shadow images with simulations computed according to the experimental electron optical configuration and by varying a single free parameter: the domain wall width. We demonstrate the feasibility of such experiments and the usefulness of the technique for characterization of magnetic features at different length scales. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. Univ Bologna, Dipartimento Fis, I-40127 Bologna, Italy. RP Beleggia, M (reprint author), Brookhaven Natl Lab, Bldg 480, Upton, NY 11973 USA. EM beleggia@bnl.gov OI Beleggia, Marco/0000-0002-2888-1888 NR 18 TC 3 Z9 3 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 10 PY 2006 VL 88 IS 15 AR 152506 DI 10.1063/1.2194895 PG 3 WC Physics, Applied SC Physics GA 032TA UT WOS:000236796400053 ER PT J AU Wang, LF Strovink, M Conley, A Goldhaber, G Kowalski, M Perlmutter, S Siegrist, J AF Wang, LF Strovink, M Conley, A Goldhaber, G Kowalski, M Perlmutter, S Siegrist, J TI Nonlinear decline-rate dependence and intrinsic variation of type Ia supernova luminosities SO ASTROPHYSICAL JOURNAL LA English DT Article DE cosmology : observations; distance scale; supernovae : general ID HIGH-REDSHIFT SUPERNOVAE; LIGHT-CURVE SHAPES; INFRARED PHOTOMETRY; HUBBLE CONSTANT; HOST GALAXY; CEPHEID CALIBRATION; PRECISE DISTANCE; EXTINCTION; PARAMETER; UNIVERSE AB Published B and V fluxes from nearby Type Ia supernovae (SNe) are fitted to light-curve templates with four to six adjustable parameters. Separately, B magnitudes from the same sample are fitted to a linear dependence on B-V color within a postmaximum time window prescribed by the CMAGIC method. These fits yield two independent SN magnitude estimates B-max and B-BV. Their difference varies systematically with decline-rate Delta m(15) in a form that is compatible with a bilinear but not a linear dependence; a nonlinear form likely describes the decline-rate dependence of Bmax itself. A Hubble fit to the average of Bmax and BBV requires a systematic correction for observed B-V color that can be described by a linear coefficient R 2:59 +/- 0:24, well below the coefficient R-B approximate to 4:1 commonly used to characterize the effects of Milky Way dust. At 99.9% confidence the data reject a simple model in which no color correction is required for SNe that are clustered at the blue end of their observed color distribution. After systematic corrections are performed, Bmax and BBV exhibit mutual rms intrinsic variation equal to 0:074 +/- 0:019 mag, of which at least an equal share likely belongs to BBV. SN magnitudes measured using maximum luminosity or CMAGIC methods show comparable rms deviations of order approximate to 0.14 mag from the Hubble line. The same fit also establishes a 95% confidence upper limit of 486 km s(-1) on the rms peculiar velocity of nearby SNe relative to the Hubble flow. C1 EO Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Chinese Acad Sci, Purple Mt Observ, Nanjing 210008, Peoples R China. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RP Wang, LF (reprint author), EO Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM strovink@lbl.gov RI Kowalski, Marek/G-5546-2012; Perlmutter, Saul/I-3505-2015 OI Perlmutter, Saul/0000-0002-4436-4661 NR 54 TC 28 Z9 28 U1 0 U2 3 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD APR 10 PY 2006 VL 641 IS 1 BP 50 EP 69 DI 10.1086/500422 PN 1 PG 20 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 033AH UT WOS:000236817800004 ER PT J AU Gregg, MD Becker, RH de Vries, W AF Gregg, MD Becker, RH de Vries, W TI FR II broad absorption line quasars and the life cycle of quasars SO ASTROPHYSICAL JOURNAL LA English DT Article DE quasars : absorption lines; quasars : general ID DIGITAL SKY SURVEY; STELLAR OBJECTS; 1ST SURVEY; QSO; CATALOG; Q0059-2735; GALAXIES; RELEASE; SPECTRA AB By combining the Sloan Digitized Sky Survey Third Data Release quasar list with the VLA FIRST survey, we have found five new objects having both broad absorption lines (BALs) in their optical spectra and FR II radio morphologies. We identify an additional example of this class from the FIRST Bright Quasar Survey, J1408+3054. Including the two previously known FR II-BAL quasars, J1016+5209 and LBQS 1138-0126, brings the number of such objects to eight. These quasars are relatively rare; finding this small handful has required the 45,000 large quasar sample of SDSS. The FR II-BAL quasars exhibit a significant anticorrelation between radio-loudness and the strength of the BAL features. This is easily accounted for by the evolutionary picture, in which quasars emerge from cocoons of BAL-producing material that stifle the development of radio jets and lobes. There is no such simple explanation for the observed properties of FR II-BALs in the unification-by-orientation model of quasars. The rarity of the FR II-BAL class implies that the two phases do not coexist for very long in a single quasar, perhaps less than 105 yr,with the combined FR II, high-ionization broad absorption phase being even shorter by another factor of 10 or more. C1 Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94550 USA. RP Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. EM gregg@igpp.ucllnl.org; bob@igpp.ucllnl.org; wdevries@igpp.ucllnl.org NR 35 TC 53 Z9 53 U1 0 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X EI 1538-4357 J9 ASTROPHYS J JI Astrophys. J. PD APR 10 PY 2006 VL 641 IS 1 BP 210 EP 216 DI 10.1086/500381 PN 1 PG 7 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 033AH UT WOS:000236817800015 ER PT J AU Kowalski, PM AF Kowalski, PM TI On the dissociation equilibrium of H-2 in very cool, helium-rich white dwarf atmospheres SO ASTROPHYSICAL JOURNAL LA English DT Article DE dense matter; stars : atmospheres; white dwarfs ID DIGITAL-SKY-SURVEY; GALACTIC HALO; HIGH-DENSITY; EQUATION; STATE; HE; MIXTURES; HYDROGEN; GAS AB We investigate the dissociation equilibrium of H-2 in very cool, helium-rich white dwarf atmospheres. We present the nonideal chemical equilibrium solution for the dissociation of molecular hydrogen in a medium of dense helium. We find that at the photosphere of cool white dwarfs of T-eff = 4000 K, the nonideality results in an increase of the mole fraction of molecular hydrogen by up to a factor of similar to 10 compared to the equilibrium value for the ideal gas. This increases the H-2-He collision-induced absorption (CIA) opacity by an order of magnitude and will affect the determination of the abundance of hydrogen in very cool, helium-rich white dwarfs. C1 Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Kowalski, PM (reprint author), Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. EM kowalski@lanl.gov RI Kowalski, Piotr/L-7411-2013 OI Kowalski, Piotr/0000-0001-6604-3458 NR 32 TC 17 Z9 17 U1 0 U2 3 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD APR 10 PY 2006 VL 641 IS 1 BP 488 EP 493 DI 10.1086/500358 PN 1 PG 6 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 033AH UT WOS:000236817800041 ER PT J AU Marois, C Lafreniere, D Doyon, R Macintosh, B Nadeau, D AF Marois, C Lafreniere, D Doyon, R Macintosh, B Nadeau, D TI Angular differential imaging: A powerful high-contrast imaging technique SO ASTROPHYSICAL JOURNAL LA English DT Article DE instrumentation : adaptive optics; planetary systems; stars : imaging ID SPECKLE NOISE; EXTRASOLAR PLANETS; COMPANIONS; VEGA; SEARCHES; IMAGER; FINDER; STARS; DUST AB Angular differential imaging is a high-contrast imaging technique that reduces quasistatic speckle noise and facilitates the detection of nearby companions. A sequence of images is acquired with an altitude/azimuth telescope while the instrument field derotator is switched off. This keeps the instrument and telescope optics aligned and allows the field of view to rotate with respect to the instrument. For each image, a reference point-spread function (PSF) is constructed from other appropriately selected images of the same sequence and subtracted to remove quasistatic PSF structure. All residual images are then rotated to align the field and are combined. Observed performances are reported for Gemini North data. It is shown that quasistatic PSF noise can be reduced by a factor similar to 5 for each image subtraction. The combination of all residuals then provides an additional gain of the order of the square root of the total number of acquired images. A total speckle noise attenuation of 20-50 is obtained for a 1 hr long observing sequence compared to a single 30 s exposure. A PSF noise attenuation of 100 was achieved for a 2 hr long sequence of images of Vega, reaching a 5 sigma contrast of 20 mag for separations greater than 8". For a 30 minute long sequence, ADI achieves signal-to-noise ratios 30 times better than a classical observation technique. The ADI technique can be used with currently available instruments to search for similar to 1M(Jup) exoplanets with orbits of radii between 50 and 300 AU around nearby young stars. The possibility of combining the technique with other high-contrast imaging methods is briefly discussed. C1 Univ Montreal, Dept Phys, Montreal, PQ H3C 3J7, Canada. Univ Montreal, Observ Mont Megant, Montreal, PQ H3C 3J7, Canada. Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys L413, Livermore, CA 94550 USA. RP Marois, C (reprint author), Univ Montreal, Dept Phys, CP 6128,Succ A, Montreal, PQ H3C 3J7, Canada. EM cmarois@igpp.cllnl.org; david@astro.umontreal.ca; doyon@astro.umontreal.ca; bmac@igpp.ucllnl.org; nadeau@astro.umontreal.ca OI Lafreniere, David/0000-0002-6780-4252 NR 26 TC 403 Z9 403 U1 2 U2 13 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD APR 10 PY 2006 VL 641 IS 1 BP 556 EP 564 DI 10.1086/500401 PN 1 PG 9 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 033AH UT WOS:000236817800047 ER PT J AU Chen, ZH Lu, WQ Liu, J Amine, K AF Chen, ZH Lu, WQ Liu, J Amine, K TI LiPF6/LiBOB blend salt electrolyte for high-power lithium-ion batteries SO ELECTROCHIMICA ACTA LA English DT Article DE lithium-ion battery; high-power; LiBOB; blend salt ID LIBOB-BASED ELECTROLYTES; THERMAL-STABILITY; INTERFACE; LI; GRAPHITE; CELLS; SOLVENTS; ANODES; LIPF6; SIZE AB LiPF6/LiBOB blend salt-based electrolytes were investigated as potential candidates for high-power lithium-ion batteries, especially for transportation applications. It was demonstrated that both the power capability and the cycling performance of the lithium-ion cells could be attenuated by controlling the concentration of LiBOB in blend salt electrolytes. The power capability of the lithium-ion cells decreases with the concentration of LiBOB, while the capacity retention of the cells at 55 C increases with the LiBOB concentration. When electrolytes with no more than 0.1 M LiBOB was used, the MCMB/LiMn1/3Ni1/3Co1/3O2 cells have excellent capacity retention at 55 C, while their impedance meets the requirement set by the FreedomCar Partnership. The similar performance improvement on the MCMB/LiMn2O4 cells was also observed with the blend salt electrolyte. (c) 2005 Elsevier Ltd. All rights reserved. C1 Argonne Natl Lab, Div Chem Engn, Argonne, IL 60439 USA. RP Amine, K (reprint author), Argonne Natl Lab, Div Chem Engn, 9700 S Cass Ave, Argonne, IL 60439 USA. EM amine@cmt.anl.gov RI Chen, Zonghai/K-8745-2013; Amine, Khalil/K-9344-2013 NR 17 TC 91 Z9 99 U1 6 U2 41 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 APR 10 PY 2006 VL 51 IS 16 BP 3322 EP 3326 DI 10.1016/j.electacta.2005.09.027 PG 5 WC Electrochemistry SC Electrochemistry GA 036DR UT WOS:000237051700018 ER PT J AU Rider, WJ AF Rider, WJ TI The relationship of MPDATA to other high-resolution methods SO INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS LA English DT Article; Proceedings Paper CT 13th Conference on Finite Elements for Flow Problems CY APR 04-06, 2005 CL Swansea, ENGLAND DE implicit large eddy simulation; modified equation analysis; sign-preserving; nonoscillatory; order of accuracy ID LARGE-EDDY SIMULATION; NUMERICAL-METHODS; FLOWS; TURBULENCE AB High-resolution methods have produced the ability to conduct large eddy Simulations without the benefit of an explicit subgrid model. This capability is known as implicit large eddy Simulation (ILES). A number of high-resolution methods have been shown to have this property. There are notable exceptions where high-resolution method do not work as ILES, particularly methods that have a leading phi(h(2)) dissipative term. On the other hand, MPDATA is an effective ILES method with a leading phi(h(2)) dissipative term. This dichotomy has played a key role in the discovery of the key role of conservation or control Volume form in producing ILES results. In the process of this analysis, I describe a variant of the method leading to a useful alternative form of sign-preserving limiters. This form is proposed as an extension of the basic MPDATA methodology allowing sonic flexibility in the choice of effective high-order methods. This multistage version of the algorithm removes the leading order nonlinear dissipative error. I rediscover the recursive form of the MPDATA iteration through modified equation analysis (MEA). Finally, returning to the original purpose of the analysis, I describe how the different principles used in MPDATA have been all important contributor to the recent theoretical understanding of ILES. MPDATA is compared with monotone high-resolution methods both analytically and Computationally. The numerical comparison focuses on the validation of ILES methods for high Reynolds number decaying isotropic turbulence. Copyright (c) 2005 John Wiley & Sons, Ltd. C1 Los Alamos Natl Lab, Div Appl Phys, Los Alamos, NM 87545 USA. RP Rider, WJ (reprint author), Los Alamos Natl Lab, Div Appl Phys, MS F699, Los Alamos, NM 87545 USA. EM rider@lanl.gov NR 27 TC 10 Z9 10 U1 0 U2 3 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 0271-2091 J9 INT J NUMER METH FL JI Int. J. Numer. Methods Fluids PD APR 10 PY 2006 VL 50 IS 10 BP 1145 EP 1158 DI 10.1002/fld.1084 PG 14 WC Computer Science, Interdisciplinary Applications; Mathematics, Interdisciplinary Applications; Mechanics; Physics, Fluids & Plasmas SC Computer Science; Mathematics; Mechanics; Physics GA 031AE UT WOS:000236675700003 ER PT J AU Hecht, MW AF Hecht, MW TI Forward-in-time upwind-weighted methods in ocean modelling SO INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS LA English DT Article; Proceedings Paper CT 13th Conference on Finite Elements for Flow Problems CY APR 04-06, 2005 CL Swansea, ENGLAND DE ocean modelling; general circulation modelling; finite difference rnethods; computational methods ID GENERAL-CIRCULATION MODEL; ADVECTION TRANSPORT ALGORITHM; COORDINATE MODEL; THERMOHALINE CIRCULATION; STEPPING METHOD; NORTH-ATLANTIC; SCHEMES; SIMULATION; ATMOSPHERE; DRIVEN AB The World Ocean presents a remarkably wide range of spatial and temporal scales within complicated domains. At larger scales, beyond a few tens of meters, the ocean circulation can be seen to separate into quasi-horizontal and vertical directions, with the magnitude of mixing differing by many orders of magnitude between the two. It is within this context, and with additional constraints of flux-conservation when used for coupled climate simulation, that transport schemes are placed within ocean general circulation models. Forward-in-time upwind-weighted methods have made gradual, steady inroads into the field. We review this evolution from centred-in-time centred-in-space schemes, first discussing temporally hybrid models (centred discretization of the momentum equations with forward-in-time treatment of the scalar transport equations), then fully forward-in-time models, touching on a number of test problems and analyses that have provided guidance to these model development efforts and discussing selected results. Copyright (c) 2005 John Wiley & Sons, Ltd. C1 Los Alamos Natl Lab, Comp & Comutat Sci Div, Los Alamos, NM 87545 USA. RP Hecht, MW (reprint author), Los Alamos Natl Lab, Comp & Comutat Sci Div, MS B296, Los Alamos, NM 87545 USA. EM mhecht@lanl.gov OI Hecht, Matthew/0000-0003-0946-4007 NR 75 TC 2 Z9 2 U1 0 U2 5 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 0271-2091 J9 INT J NUMER METH FL JI Int. J. Numer. Methods Fluids PD APR 10 PY 2006 VL 50 IS 10 BP 1159 EP 1173 DI 10.1002/fld.1136 PG 15 WC Computer Science, Interdisciplinary Applications; Mathematics, Interdisciplinary Applications; Mechanics; Physics, Fluids & Plasmas SC Computer Science; Mathematics; Mechanics; Physics GA 031AE UT WOS:000236675700004 ER PT J AU Margolin, LG Shashkov, M AF Margolin, LG Shashkov, M TI MPDATA: Gauge transformations, limiters and monotonicity SO INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS LA English DT Article; Proceedings Paper CT 13th International Conference on Finite Elements for Flow Problems CY APR 04-06, 2005 CL Swansea, WALES DE advection; remapping; nonoscillatory methods ID TRANSPORT ALGORITHM; SCHEMES AB MPDATA is a flexible and computationally efficient methodology that has been applied to advection, remapping, and full fluid solvers. In this paper, we extend the fundamental concept, iterated upwind compensation of error, to incorporate a new degree of freedom-that of gauge transformations-with the goal of constructing a monotonicity preserving option for MPDATA. We further augment this scheme by adapting the idea of summing the recursive relations to improve the overall accuracy. This process leads to a theoretical connection of this MPDATA scheme to flux-limited algorithms. Published in 2005 by John Wiley & Sons, Ltd. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Los Alamos Natl Lab, MS F699, Los Alamos, NM 87545 USA. EM len@lanl.gov; shashkov@lanl.gov NR 18 TC 2 Z9 2 U1 0 U2 1 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0271-2091 EI 1097-0363 J9 INT J NUMER METH FL JI Int. J. Numer. Methods Fluids PD APR 10 PY 2006 VL 50 IS 10 BP 1193 EP 1206 DI 10.1002/fld.1070 PG 14 WC Computer Science, Interdisciplinary Applications; Mathematics, Interdisciplinary Applications; Mechanics; Physics, Fluids & Plasmas SC Computer Science; Mathematics; Mechanics; Physics GA 031AE UT WOS:000236675700006 ER PT J AU Juste, A AF Juste, Aurelio TI Top quark measurements SO INTERNATIONAL JOURNAL OF MODERN PHYSICS A LA English DT Article; Proceedings Paper CT 22nd International Symposium on Lepton-Photon Interactions at High Energy CY JUN 30-JUL 05, 2005 CL Uppsala Univ, Uppsala, SWEDEN HO Uppsala Univ ID PRODUCTION CROSS-SECTION; P(P)OVER-BAR COLLISIONS; COLLIDER DETECTOR; EP COLLISIONS; SEARCH; T(T)OVER-BAR; FERMILAB; TEV; PARTICLES; PHYSICS AB Ten years after its discovery at the Tevatron collider, we still know little about the top quark. Its large mass suggests it may play a key role in the mechanism of Electroweak Symmetry Breaking (EWSB), or open a window of sensitivity to new physics related to EWSB and preferentially coupled to it. To determine whether this is the case, precision measurements of top quark properties axe necessary. The high statistics samples being collected by the Tevatron experiments during Run II start to incisively probe the top quark sector. This report summarizes the experimental status of the top quark, focusing in particular on the recent measurements from the Tevatron Run II. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Juste, A (reprint author), Fermilab Natl Accelerator Lab, POB 500,MS 357, Batavia, IL 60510 USA. EM juste@fnal.gov NR 44 TC 0 Z9 0 U1 0 U2 1 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0217-751X EI 1793-656X J9 INT J MOD PHYS A JI Int. J. Mod. Phys. A PD APR 10 PY 2006 VL 21 IS 8-9 BP 1591 EP 1602 DI 10.1142/S0217751X06032605 PG 12 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 043BW UT WOS:000237575300003 ER PT J AU Lammel, S AF Lammel, Stephan TI Search for Higgs and new phenomena at colliders SO INTERNATIONAL JOURNAL OF MODERN PHYSICS A LA English DT Article; Proceedings Paper CT 22nd International Symposium on Lepton-Photon Interactions at High Energy CY JUN 30-JUL 05, 2005 CL Uppsala Univ, Uppsala, SWEDEN HO Uppsala Univ ID MISSING TRANSVERSE-MOMENTUM; HIGH-ENERGY LEPTON; HERA; EVENTS; MSSM AB The present status of searches for the Higgs boson(s) and new phenomena is reviewed. The focus is on analyses and results from the current runs of the HERA and Tevatron experiments. The LEP experiments have released their final combined MSSM Higgs results for this conference. Also included are results from sensitivity studies of the LHC experiments and lepton flavour violating searches from the B factories, KEKB and PEP-II. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Lammel, S (reprint author), Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. EM lammel@fnal.gov NR 28 TC 0 Z9 0 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0217-751X J9 INT J MOD PHYS A JI Int. J. Mod. Phys. A PD APR 10 PY 2006 VL 21 IS 8-9 BP 1617 EP 1627 DI 10.1142/S0217751X06032629 PG 11 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 043BW UT WOS:000237575300007 ER PT J AU Dawson, S AF Dawson, Sally TI Electroweak symmetry breaking circa 2005 SO INTERNATIONAL JOURNAL OF MODERN PHYSICS A LA English DT Article; Proceedings Paper CT 22nd International Symposium on Lepton-Photon Interactions at High Energy CY JUN 30-JUL 05, 2005 CL Uppsala Univ, Uppsala, SWEDEN HO Uppsala Univ ID HIGGS-BOSON; COLLIDER; MODELS; MASS AB Recent progress in both the experimental and theoretical explorations of electroweak symmetry breaking is surveyed. C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Dawson, S (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM dawson@bnl.gov NR 72 TC 4 Z9 4 U1 0 U2 1 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0217-751X EI 1793-656X J9 INT J MOD PHYS A JI Int. J. Mod. Phys. A PD APR 10 PY 2006 VL 21 IS 8-9 BP 1629 EP 1640 DI 10.1142/S0217751X06032630 PG 12 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 043BW UT WOS:000237575300009 ER PT J AU Burkert, VD AF Burkert, Volker D. TI Have pentaquark states been seen? SO INTERNATIONAL JOURNAL OF MODERN PHYSICS A LA English DT Article; Proceedings Paper CT 22nd International Symposium on Lepton-Photon Interactions at High Energy CY JUN 30-JUL 05, 2005 CL Uppsala Univ, Uppsala, SWEDEN HO Uppsala Univ ID POSITIVE-STRANGENESS; BARYON STATE; RESONANCE; PHOTOPRODUCTION; COLLISIONS; THETA(+); SEARCH; MASS AB The status of the search for pentaquark baryon states is reviewed in light of new results from the first two dedicated experiments from CLAS at Jefferson Lab and of new analyses from several labs on the Theta(+)(1540). Evidence for and against the heavier pentaquark states, the Xi(1862) and the Theta(0)(c)(3100) observed at CERN and at HERA, respectively, are also discussed. I conclude that,the evidence against the latter two heavier pentaquark baryons is rapidly increasing making their existence highly questionable. I also conclude that the evidence for the Theta(+) state has significantly eroded with the recent CLAS results, but still leaves room for a state with an intrinsic width of Gamma < 0.5 MeV. New evidence in support of a low mass pentaquark state from various experiments will be discussed as well. C1 Jefferson Lab, Newport News, VA 23606 USA. RP Burkert, VD (reprint author), Jefferson Lab, 12000 Jefferson Ave, Newport News, VA 23606 USA. EM burkert@jlab.org NR 49 TC 21 Z9 21 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0217-751X EI 1793-656X J9 INT J MOD PHYS A JI Int. J. Mod. Phys. A PD APR 10 PY 2006 VL 21 IS 8-9 BP 1764 EP 1776 DI 10.1142/S0217751X06032745 PG 13 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 043BW UT WOS:000237575300028 ER PT J AU Poon, AWP AF Poon, Alan W. P. TI Review of solar and reactor neutrinos SO INTERNATIONAL JOURNAL OF MODERN PHYSICS A LA English DT Article; Proceedings Paper CT 22nd International Symposium on Lepton-Photon Interactions at High Energy CY JUN 30-JUL 05, 2005 CL Uppsala Univ, Uppsala, SWEDEN HO Uppsala Univ ID OSCILLATIONS; CONSTRAINTS; MATTER; DETECTOR AB Over the last several years, experiments have conclusively demonstrated that neutrinos axe massive and that they mix. There is now direct evidence for nu(e)s from the Sun transforming into other active flavors while en route to the Earth. The disappearance of reactor (nu) over bar (e)s, predicted under the assumption of neutrino oscillation, has also been observed. In this paper, recent results from solar and reactor neutrino experiments and their implications are reviewed. In addition, some of the future experimental endeavors in solar and reactor neutrinos are presented. C1 Lawrence Berkeley Natl Lab, Inst Nucl & Particle Astrophys, Div Nucl Sci, Berkeley, CA 94720 USA. RP Poon, AWP (reprint author), Lawrence Berkeley Natl Lab, Inst Nucl & Particle Astrophys, Div Nucl Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM awpoon@lbl.gov NR 44 TC 4 Z9 4 U1 1 U2 1 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0217-751X EI 1793-656X J9 INT J MOD PHYS A JI Int. J. Mod. Phys. A PD APR 10 PY 2006 VL 21 IS 8-9 BP 1855 EP 1867 DI 10.1142/S0217751X06032812 PG 13 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 043BW UT WOS:000237575300042 ER PT J AU Rosner, J Poon, A Rosen, P AF Rosner, J Poon, A Rosen, P TI Review of solar and reactor neutrinos - Discussion SO INTERNATIONAL JOURNAL OF MODERN PHYSICS A LA English DT Editorial Material C1 Univ Chicago, Chicago, IL 60637 USA. US DOE, Washington, DC 20585 USA. RP Rosner, J (reprint author), Univ Chicago, Chicago, IL 60637 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0217-751X J9 INT J MOD PHYS A JI Int. J. Mod. Phys. A PD APR 10 PY 2006 VL 21 IS 8-9 BP 1868 EP 1868 PG 1 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 043BW UT WOS:000237575300043 ER PT J AU Du, J Fix, B Glimm, J Jia, XC Li, XL Li, YH Wu, LL AF Du, J Fix, B Glimm, J Jia, XC Li, XL Li, YH Wu, LL TI A simple package for front tracking SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE front tracking; FronTier; interface geometry; topological bifurcation ID RICHTMYER-MESHKOV INSTABILITY; FLUIDS AB A general purpose software package for the geometry and dynamics of an interface has been extracted from the Fron-Tier code developed by the authors and colleagues, and is now publicly available. The purpose of this paper is twofold. We describe significant improvements to the Front Tracking package, especially in the 3D handling of topological bifurcations. We also assess the performance of the package, in comparison with publicly distributed interface codes (the level set method), with published performance results (VOF and other methods) and with previous versions of front tracking. The major new algorithm presented here is Locally Grid Based tracking, which combines the best features of two previous 3D tracking algorithms. It combines the robustness of grid-based tracking with the accuracy of grid free tracking, and thus it is a significant improvement to both of these algorithms. We also discuss the surface curvature and normal algorithms and a higher order propagation algorithm, used for the comparison studies presented here. The code is downloadable from the web, and is accompanied by it web-based testing and evaluation site and extensive web-based documentation. (c) 2005 Elsevier Inc. All rights reserved. C1 SUNY Stony Brook, Dept Appl Math & Stat, Stony Brook, NY 11794 USA. Brookhaven Natl Lab, Computat Sci Ctr, Upton, NY 11793 USA. RP Li, XL (reprint author), SUNY Stony Brook, Dept Appl Math & Stat, Stony Brook, NY 11794 USA. EM linli@ams.sunsyb.edu RI Du, Jian/C-5448-2011 NR 21 TC 81 Z9 84 U1 0 U2 10 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 J9 J COMPUT PHYS JI J. Comput. Phys. PD APR 10 PY 2006 VL 213 IS 2 BP 613 EP 628 DI 10.1016/j.jcp.2005.08.034 PG 16 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 021JK UT WOS:000235979300009 ER PT J AU Min, MS Lee, TW Fischer, PF Gray, SK AF Min, MS Lee, TW Fischer, PF Gray, SK TI Fourier spectral simulations and Gegenbauer reconstructions for electromagnetic waves in the presence of a metal nanoparticle SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE fourier pseudospectral method; Gegenbauer reconstruction; postprocessing ID GIBBS PHENOMENON; MAXWELLS EQUATIONS; DOMAIN METHODS; ALGORITHM AB We describe Fourier pseudospectral time-domain simulations, carried out in order to study light interacting with a metallic nanoscale object. The difficulty of using Fourier methods to accurately predict the electromagnetic scattering in such problems arises from the discontinuity in the dielectric function along the surface of the metallic object. Standard Fourier methods lead to oscillatory behavior in approximating solutions that are nonsmooth or that have steep gradients. By applying the Gegenbauer reconstruction technique as a postprocessing method to the Fourier pseudospectral solution, we successfully reduce the oscillations after postprocessing. Our computational results, including comparison with finite-difference time-domain simulations, demonstrate the efficiency and accuracy of the method. (c) 2005 Elsevier Inc. All rights reserved. C1 Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RP Min, MS (reprint author), Argonne Natl Lab, Div Math & Comp Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM mmin@mcs.anl.gov; twlee@tcg.anl.gov; fischer@mcs.anl.gov; gray@tcg.anl.gov NR 28 TC 19 Z9 19 U1 0 U2 1 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 J9 J COMPUT PHYS JI J. Comput. Phys. PD APR 10 PY 2006 VL 213 IS 2 BP 730 EP 747 DI 10.1016/j.jcp.2005.06.025 PG 18 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 021JK UT WOS:000235979300014 ER PT J AU Short, M Bdzil, JB Anguelova, II AF Short, M Bdzil, JB Anguelova, II TI Stability of Chapman-Jouguet detonations for a stiffened-gas model of condensed-phase explosives SO JOURNAL OF FLUID MECHANICS LA English DT Article AB The analysis of the linear stability of a planar Chapman-Jouguet detonation wave is reformulated for an arbitrary caloric (incomplete) equation of state in an attempt to better represent the stability properties of detonations in condensed-phase explosives. Calculations are performed on a 'stiffened-gas' equation of state which allows us to prescribe a finite detonation Mach number while simultaneously allowing for a detonation shock pressure that is substantially larger than the ambient pressure. We show that the effect of increasing the ambient sound speed in the material, for a given detonation speed, has a stabilizing effect on the detonation. We also show that the presence of the slow reaction stage, a feature of detonations in certain types of energetic materials, where the detonation structure is characterized by a fast reaction stage behind the detonation shock followed by a slow reaction stage, tends to have a destabilizing effect. C1 Univ Illinois, Dept Math, Urbana, IL 61801 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Short, M (reprint author), Univ Illinois, Dept Math, Urbana, IL 61801 USA. NR 21 TC 3 Z9 3 U1 1 U2 5 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 40 WEST 20TH ST, NEW YORK, NY 10011-4211 USA SN 0022-1120 J9 J FLUID MECH JI J. Fluid Mech. PD APR 10 PY 2006 VL 552 BP 299 EP 309 DI 10.1017/S0022112005008347 PG 11 WC Mechanics; Physics, Fluids & Plasmas SC Mechanics; Physics GA 037QI UT WOS:000237161500014 ER PT J AU Altshuler, BL Konik, RM Tsvelik, AM AF Altshuler, BL Konik, RM Tsvelik, AM TI Low temperature correlation functions in integrable models: Derivation of the large distance and time asymptotics from the form factor expansion SO NUCLEAR PHYSICS B LA English DT Article ID SINE-GORDON MODEL; QUANTUM-FIELD THEORIES; SCALING 3-STATE POTTS; MAGNETIC-FIELD; ISING-MODEL; CHAIN AB We propose an approach to the problem of low but finite temperature dynamical correlation functions in integrable one-dimensional models with a spectral gap. The approach is based on the analysis of the leading singularities of the operator matrix elements and is not model specific. We discuss only models with well-defined asymptotic states. For such models the long time, large distance asymptotics of the correlation functions fall into two universality classes. These classes differ primarily by whether the behavior of the two-particle S-matrix at low momenta is diagonal or corresponds to pure reflection. We discuss similarities and differences between our results and results obtained by the semi-classical method suggested by Sachdev and Young [S. Sachdev, A.P. Young, Phys. Rev. Lett. 78 (1997) 2220]. (c) 2006 Elsevier B.V. All rights reserved. C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. Princeton Univ, Dept Phys, Princeton, NJ 08544 USA. Columbia Univ, Dept Phys, New York, NY 10027 USA. NEC Labs Amer Inc, Princeton, NJ 08554 USA. RP Tsvelik, AM (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM tsvelik@bnl.gov RI Konik, Robert/L-8076-2016 OI Konik, Robert/0000-0003-1209-6890 NR 29 TC 29 Z9 29 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0550-3213 J9 NUCL PHYS B JI Nucl. Phys. B PD APR 10 PY 2006 VL 739 IS 3 BP 311 EP 327 DI 10.1016/j.nuciphysb.2006.01.022 PG 17 WC Physics, Particles & Fields SC Physics GA 028PM UT WOS:000236500300002 ER PT J AU Schwarzer, N Chudoba, T Pharr, GM AF Schwarzer, N Chudoba, T Pharr, GM TI On the evaluation of stresses in coated materials during nanoindentation with sharp indenters SO SURFACE & COATINGS TECHNOLOGY LA English DT Article DE mechanical properties; nanoindentation; surface stress; yield strength; coatings ID INDENTATION MEASUREMENTS; SPHERICAL INDENTER AB It has recently been shown that the form of unloading curves obtained during indentation of elastic-plastic materials with geometrically self-similar indenters such as pyramids and cones can be understood using the concept of an "effective indenter shape". The shape of the plastic hardness impression formed during indentation determines the geometrical form of this effective indenter shape. During unloading this concept allows one to approximately determine the elastic part of the complete stress field consisting of the residual stresses caused by the inelastic behaviour and the purely elastic one determined by the effective indenter. Applying a straightforward algorithm, this concept can be used to evaluate the distribution of the elastic field of the effectively shaped indenter even in the case of layered materials and thus provide information about changes in the stresses during the unloading process. The model is applied to a variety of single layers and even graded coating-substrate compounds and the resulting stress fields of stresses are discussed. Further, it is demonstrated how the method can be used to extract critical material parameters of the coating material like the yield stress directly from load-displacement curves of sharp indenters. (c) 2005 Elsevier B.V. All rights reserved. C1 Tech Univ Chemnitz, Inst Phys, D-09107 Chemnitz, Germany. Adv Surface Mech ASMEC, D-01454 Rossendorf, Germany. Univ Tennessee, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. RP Schwarzer, N (reprint author), Tech Univ Chemnitz, Inst Phys, D-09107 Chemnitz, Germany. EM n.schwarzcr@physik.tu-chemnitz.de NR 21 TC 20 Z9 20 U1 1 U2 8 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0257-8972 J9 SURF COAT TECH JI Surf. Coat. Technol. PD APR 10 PY 2006 VL 200 IS 14-15 BP 4220 EP 4226 DI 10.1016/j.surfcoat.2005.01.011 PG 7 WC Materials Science, Coatings & Films; Physics, Applied SC Materials Science; Physics GA 026SR UT WOS:000236363000010 ER PT J AU Bakac, A AF Bakac, A TI Aqueous rhodium(III) hydrides and mononuclear rhodium(II) complexes SO DALTON TRANSACTIONS LA English DT Article ID TRANSITION-METAL HYDRIDES; HYDROGEN-ATOM TRANSFER; DISSOCIATION FREE-ENERGIES; CROWN THIOETHER CHEMISTRY; ONE-ELECTRON REDUCTION; RAY CRYSTAL-STRUCTURE; PORPHYRIN COMPLEXES; MOLECULAR-STRUCTURE; CARBONYL HYDRIDES; MONOMERIC RH(II) AB In aqueous solutions, as in organic solvents, rhodium hydrides display the chemistry of one of the three limiting forms, ie. {Rh(I) + H(+)}, {Rh(II) + H(center dot)}, and {Rh(III) + H(-)}. A number of intermediates and oxidation states have been generated and explored in kinetic and mechanistic studies. Monomeric macrocyclic rhodium(II) complexes, Such as L(H(2)O)Rh(2+) (L = L(I) = [14]aneN(4), or L(2) = meso-Me(6) 14]aneN(4)) can be generated from the hydride precursors by photochemical means or in reactions with hydrogen atom abstracting agents. These rhodium(II) complexes are oxidized rapidly with alkyl hydroperoxides to give alkylrhodium(III) complexes. Reactions of Rh(II) with organic and inorganic radicals and with Molecular oxygen are fast and produce long-lived intermediates, such as alkyl, superoxo and hydroperoxo complexes, all of which display rich and complex chemistry of their own. In alkaline solutions of rhodium hydrides, the existence of Rh(I) complexes is implied by rapid hydrogen exchange between the hydride and solvent water. The acidity of the hydrides is too low, however, to allow the build-up of observable quantities of Rh(I). Deuterium kinetic isotope effects for hydride transfer to a macrocyclic Cr(v) complex are comparable to those for hydrogen atom transfer to various substrates. C1 Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Bakac, A (reprint author), Iowa State Univ, Ames Lab, Ames, IA 50011 USA. NR 87 TC 26 Z9 26 U1 1 U2 16 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. PD APR 7 PY 2006 IS 13 BP 1589 EP 1596 DI 10.1039/b518230a PG 8 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 033XK UT WOS:000236888100001 PM 16547532 ER PT J AU Kaczocha, M Hermann, A Glaser, ST Bojesen, IN Deutsch, DG AF Kaczocha, M Hermann, A Glaser, ST Bojesen, IN Deutsch, DG TI Anandamide uptake is consistent with rate-limited diffusion and is regulated by the degree of its hydrolysis by fatty acid amide hydrolase SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID ENDOGENOUS CANNABINOID ANANDAMIDE; N-ARACHIDONOYLETHANOLAMINE ANANDAMIDE; BOVINE SERUM-ALBUMIN; PROBLEM DRUG-USE; CELLULAR UPTAKE; PROSTAGLANDIN TRANSPORTER; MEMBRANE-TRANSPORT; ENDOCANNABINOID SYSTEM; SELECTIVE-INHIBITION; VANILLOID RECEPTOR AB The uptake of arachidonoyl ethanolamide (anandamide, AEA) in rat basophilic leukemia cells (RBL-2H3) has been proposed to occur via a saturable transporter that is blocked by specific inhibitors. Measuring uptake at 25 s, when fatty acid amide hydrolase (FAAH) does not appreciably affect uptake, AEA accumulated via a nonsaturable mechanism at 37 degrees C. Interestingly, saturation was observed when uptake was plotted using unbound AEA at 37 degrees C. Such apparent saturation can be explained by rate-limited delivery of AEA through an unstirred water layer surrounding the cells (1). In support of this, we observed kinetics consistent with rate-limited diffusion at 0 degrees C. Novel transport inhibitors have been synthesized that are either weak FAAH inhibitors or do not inhibit FAAH in vitro (e.g. UCM707, OMDM2, and AM1172). In the current study, none of these purported AEA transporter inhibitors affected uptake at 25 s. Longer incubation times illuminate downstream events that drive AEA uptake. Unlike the situation at 25 s, the efficacy of these inhibitors was unmasked at 5 min with appreciable inhibition of AEA accumulation correlating with partial inhibition of AEA hydrolysis. The uptake and hydrolysis profiles observed with UCM707, VDM11, OMDM2, and AM1172 mirrored two selective and potent FAAH inhibitors CAY10400 and URB597 (at low concentrations), indicating that weak inhibition of FAAH can have a pronounced effect upon AEA uptake. At 5 min, the putative transport inhibitors did not reduce AEA uptake in FAAH chemical knock-out cells. This strongly suggests that the target of UCM707, VDM11, OMDM2, and AM1172 is not a transporter at the plasma membrane but rather FAAH, or an uncharacterized intracellular component that delivers AEA to FAAH. This system is therefore unique among neuro/immune modulators because AEA, an uncharged hydrophobic molecule, diffuses into cells and partial inhibition of FAAH has a pronounced effect upon its uptake. C1 SUNY Stony Brook, Dept Biochem & Cell Biol, Stony Brook, NY 11794 USA. Brookhaven Natl Lab, Ctr Translat Neuroimaging, Upton, NY 11973 USA. Univ Copenhagen, Dept Med Biochem & Genet, DK-2200 Copenhagen, Denmark. RP Deutsch, DG (reprint author), SUNY Stony Brook, Dept Biochem & Cell Biol, Stony Brook, NY 11794 USA. EM DDeutsch@notes.sunysb.edu OI Kaczocha, Martin/0000-0002-2527-1398 FU NIDA NIH HHS [DA16419, DA9374] NR 71 TC 72 Z9 74 U1 0 U2 6 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 0021-9258 J9 J BIOL CHEM JI J. Biol. Chem. PD APR 7 PY 2006 VL 281 IS 14 BP 9066 EP 9075 DI 10.1074/jbc.M509721200 PG 10 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 027HB UT WOS:000236404700011 PM 16461355 ER PT J AU Beuning, PJ Simon, SM Zemla, A Barsky, D Walker, GC AF Beuning, PJ Simon, SM Zemla, A Barsky, D Walker, GC TI A non-cleavable UmuD variant that acts as a UmuD ' mimic SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID DNA-POLYMERASE-III; BETA-PROCESSIVITY CLAMP; RECA-MEDIATED CLEAVAGE; SOS MUTAGENESIS; SLIDING-CLAMP; MOLECULAR-DYNAMICS; COLD SENSITIVITY; INTACT UMUD; PROTEIN; SUBUNIT AB UmuD(2) cleaves and removes its N-terminal 24 amino acids to form UmuD'(2), which activates UmuC for its role in UV-induced mutagenesis in Escherichia coli. Cells with a non-cleavable UmuD exhibit essentially no UV-induced mutagenesis and are hypersensitive to killing by UV light. UmuD binds to the beta processivity clamp ("beta") of the replicative DNA polymerase, pol III. A possible beta-binding motif has been predicted in the same region of UmuD shown to be important for its interaction with beta. We performed alanine-scanning mutagenesis of this motif ((TFPLF18)-T-14) in UmuD and found that it has a moderate influence on UV-induced mutagenesis but is required for the cold-sensitive phenotype caused by elevated levels of wild-type UmuD and UmuC. Surprisingly, the wild-type and the beta-binding motif variant bind to beta with similar K-d values as determined by changes in tryptophan fluorescence. However, these data also imply that the single tryptophan in beta is in strikingly different environments in the presence of the wild-type versus the variant UmuD proteins, suggesting a distinct change in some aspect of the interaction with little change in its strength. Despite the fact that this novel UmuD variant is non-cleavable, we find that cells harboring it display phenotypes more consistent with the cleaved form UmuD', such as resistance to killing by UV light and failure to exhibit the cold-sensitive phenotype. Cross-linking and chemical modification experiments indicate that the N-terminal arms of the UmuD variant are less likely to be bound to the globular domain than those of the wild-type, which may be the mechanism by which this UmuD variant acts as a UmuD' mimic. C1 MIT, Dept Biol, Cambridge, MA 02139 USA. Lawrence Livermore Natl Lab, Computat Directorate, Livermore, CA 94550 USA. Lawrence Livermore Natl Lab, Biosci Directorate, Livermore, CA 94550 USA. RP Walker, GC (reprint author), 68-633,77 Massachusetts Ave, Cambridge, MA 02139 USA. EM gwalker@mit.edu OI /0000-0001-7243-8261 FU NCI NIH HHS [CA21615]; NIEHS NIH HHS [P30ES02109] NR 50 TC 16 Z9 16 U1 0 U2 1 PU AMER SOC BIOCHEMISTRY MOLECULAR BIOLOGY INC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3996 USA SN 0021-9258 J9 J BIOL CHEM JI J. Biol. Chem. PD APR 7 PY 2006 VL 281 IS 14 BP 9633 EP 9640 DI 10.1074/jbc.M511101200 PG 8 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 027HB UT WOS:000236404700075 PM 16464848 ER PT J AU Hart, RT Mei, Q Benmore, CJ Neuefeind, JC Turner, JFC Dolgos, M Tomberli, B Egelstaff, PA AF Hart, RT Mei, Q Benmore, CJ Neuefeind, JC Turner, JFC Dolgos, M Tomberli, B Egelstaff, PA TI Isotope quantum effects in water around the freezing point SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID X-RAY-SCATTERING; LIQUID WATER; HEAVY-WATER; HYDROGENEOUS LIQUIDS; TEMPERATURE; DIFFRACTION; PRESSURES; DENSITY; MODEL; DEPENDENCE AB A new, efficient potential energy function for liquid water is presented here. The new model, which is referred here as the soft sticky dipole-quadrupole-octupole (SSDQO) model, describes a water molecule as a Lennard-Jones sphere with point dipole, quadrupole, and octupole moments. It is a single-point model and resembles the hard-sphere sticky dipole potential model for water by Bratko [J. Chem. Phys. 83, 6367 (1985)] and the soft sticky dipole model by Ichiye and Liu [J. Phys. Chem. 100, 2723 (1996)] except now the sticky potential consists of an approximate moment expansion for the dimer interaction potential, which is much faster than the true moment expansion. The object here is to demonstrate that the SSDQO potential energy function can accurately mimic the potential energy function of a multipoint model using the moments of that model. First, the SSDQO potential energy function using the dipole, quadruple, and octupole moments from SPC/E, TIP3P, or TIP5P is shown to reproduce the dimer potential energy functions of the respective multipoint model. In addition, in Monte Carlo simulations of the pure liquid at room temperature, SSDQO reproduces radial distribution functions of the respective model. However, the Monte Carlo simulations using the SSDQO model are about three times faster than those using the three-point models and the long-range interactions decay faster for SSDQO (1/r(3) and faster) than for multipoint models (1/r). Moreover, the contribution of each moment to the energetics and other properties can be determined. Overall, the simplicity, efficiency, and accuracy of the SSDQO potential energy function make it potentially very useful for studies of aqueous solvation by computer simulations. (c) 2006 American Institute of Physics. C1 Argonne Natl Lab, Intense Pulsed Neutron Source Div, Argonne, IL 60439 USA. Argonne Natl Lab, Div Expt Facil, Adv Photon Source, Argonne, IL 60439 USA. Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA. Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. Univ Guelph, Dept Phys, Guelph, ON NG1 2W1, Canada. RP Hart, RT (reprint author), Shepherd Chem Co, Norwood, OH 45212 USA. EM benmore@anl.gov RI Neuefeind, Joerg/D-9990-2015; OI Neuefeind, Joerg/0000-0002-0563-1544; Benmore, Chris/0000-0001-7007-7749 NR 35 TC 20 Z9 20 U1 0 U2 10 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 7 PY 2006 VL 124 IS 13 AR 134505 DI 10.1063/1.2181974 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 030DA UT WOS:000236612300021 PM 16613459 ER PT J AU Zhao, XG Cummings, PT AF Zhao, XG Cummings, PT TI Molecular dynamics study of carbon nanotube oscillators revisited SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID NUCLEIC-ACIDS; FORCE-FIELD; SINGLE-WALL; SYMMETRY; BEHAVIOR; ENERGY; HYDROCARBONS; SIMULATION; TRANSPORT; MEMBRANES AB We performed molecular dynamics simulation of double walled carbon nanotube (DWCNT) oscillators under constant energy and constant temperatures with various commensurations and nanotube lengths. We clarify and resolve questions and differences raised by previous simulation results of similar systems. At constant energy, sustained oscillation is available for a wide range of initial temperatures. But low initial temperature is advantageous for DWCNTs to sustain oscillation under constant energy. We observed sustained oscillation at constant energy for both commensurate and incommensurate DWCNTs. On the other hand, under constant temperatures, both high and low temperatures are disadvantageous to sustain DWCNT oscillations. At constant low temperature, neither commensurate nor incommensurate DWCNTs can maintain oscillation. At appropriate constant temperatures, the oscillatory behavior of incommensurate nanotubes is much more sustained than that of commensurate tubes. The oscillatory frequency of DWCNTs depends significantly on the length of tubes. The initial oscillatory frequency is inversely proportional to the DWCNT lengths. The oscillation frequency of DWCNTs is insensitive to the initial temperatures at constant energy, but slightly dependent on the temperature at constant temperatures. (c) 2006 American Institute of Physics. C1 Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Nanomat Theory Inst, Oak Ridge, TN 37831 USA. Vanderbilt Univ, Dept Chem Engn, Nashville, TN 37235 USA. RP Zhao, XG (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Nanomat Theory Inst, POB 2008, Oak Ridge, TN 37831 USA. EM zhaox@ornl.gov RI Cummings, Peter/B-8762-2013 OI Cummings, Peter/0000-0002-9766-2216 NR 41 TC 26 Z9 26 U1 0 U2 8 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD APR 7 PY 2006 VL 124 IS 13 AR 134705 DI 10.1063/1.2185623 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 030DA UT WOS:000236612300028 PM 16613466 ER PT J AU Miloshevich, LM Vomel, H Whiteman, DN Lesht, BM Schmidlin, FJ Russo, F AF Miloshevich, LM Vomel, H Whiteman, DN Lesht, BM Schmidlin, FJ Russo, F TI Absolute accuracy of water vapor measurements from six operational radiosonde types launched during AWEX-G and implications for AIRS validation SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID MICROWAVE RADIOMETER; LIQUID WATER; TEMPERATURE; ICE AB [1] A detailed assessment of radiosonde water vapor measurement accuracy throughout the tropospheric column is needed for assessing the impact of observational error on applications that use the radiosonde data as input, such as forecast modeling, radiative transfer calculations, remote sensor retrieval validation, climate trend studies, and development of climatologies and cloud and radiation parameterizations. Six operational radiosonde types were flown together in various combinations with a reference-quality hygrometer during the Atmospheric Infrared Sounder ( AIRS) Water Vapor Experiment-Ground (AWEX-G), while simultaneous measurements were acquired from Raman lidar and microwave radiometers. This study determines the mean accuracy and variability of the radiosonde water vapor measurements relative to simultaneous measurements from the University of Colorado (CU) Cryogenic Frostpoint Hygrometer (CFH), a reference-quality standard of known absolute accuracy. The accuracy and performance characteristics of the following radiosonde types are evaluated: Vaisala RS80-H, RS90, and RS92; Sippican Mark IIa; Modem GL98; and the Meteolabor Snow White hygrometer. A validated correction for sensor time lag error is found to improve the accuracy and reduce the variability of upper tropospheric water vapor measurements from the Vaisala radiosondes. The AWEX data set is also used to derive and validate a new empirical correction that improves the mean calibration accuracy of Vaisala measurements by an amount that depends on the temperature, relative humidity, and sensor type. Fully corrected Vaisala radiosonde measurements are found to be suitably accurate for AIRS validation throughout the troposphere, whereas the other radiosonde types are suitably accurate under only a subset of tropospheric conditions. Although this study focuses on the accuracy of nighttime radiosonde measurements, comparison of Vaisala RS90 measurements to water vapor retrievals from a microwave radiometer reveals a 6 - 8% dry bias in daytime RS90 measurements that is caused by solar heating of the sensor. An AWEX-like data set of daytime measurements is highly desirable to complete the accuracy assessment, ideally from a tropical location where the full range of tropospheric temperatures can be sampled. C1 Natl Ctr Atmospher Res, Boulder, CO 80307 USA. Univ Colorado, Cooperat Inst Res Environm Sci, Boulder, CO 80309 USA. NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. Univ Maryland Baltimore Cty, Dept Phys, Baltimore, MD 21250 USA. Argonne Natl Lab, Dept Energy, Argonne, IL 60439 USA. RP Miloshevich, LM (reprint author), Natl Ctr Atmospher Res, POB 3000, Boulder, CO 80307 USA. EM milo@ucar.edu OI Lesht, Barry/0000-0003-0801-4290 NR 30 TC 159 Z9 160 U1 2 U2 8 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 2169-897X J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD APR 7 PY 2006 VL 111 IS D9 AR D09S10 DI 10.1029/2005JD006083 PG 25 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 033WB UT WOS:000236881300001 ER PT J AU Kazimirov, A Sirenko, AA Bilderback, DH Cai, ZH Lai, B Huang, R Ougazzaden, A AF Kazimirov, A Sirenko, AA Bilderback, DH Cai, ZH Lai, B Huang, R Ougazzaden, A TI Synchrotron high angular resolution microdiffraction analysis of selective area grown optoelectronic waveguide arrays SO JOURNAL OF PHYSICS D-APPLIED PHYSICS LA English DT Article ID VAPOR-PHASE EPITAXY; X-RAY-DIFFRACTION; STANDING-WAVE AB A synchrotron microbeam high-angular resolution diffraction setup based on a phase zone plate and a perfect Si(004) analyzer crystal was introduced to Generate an x-ray microbeam with a lateral size of 0.24 mu m and an angular resolution of 2 arcsec. The microbeam high angular resolution x-ray diffraction was applied to study InGaAlAs-based multiple quantum well (MQW) ridge-waveguide arrays produced by metal-organic vapour-phase epitaxy in a selective area growth regime with a central waveguide width varying from 1.6 to 60 mu m. The analysis of the period T and the strain S in MQW ridge structures determined from the high-resolution diffraction data is presented. It was found that the MQW period is uniform across the ridge within the error bar of Delta T = +/- 0.25 nm. Within the waveguide array, the MQW period and strain can be adequately described by a gas-phase diffusion model. C1 Cornell Univ, Cornell High Energy Synchrotron Source, Ithaca, NY 14853 USA. New Jersey Inst Technol, Dept Phys, Newark, NJ 07102 USA. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. Univ Metz Supelec, Lab Mat Opt Photon & Syst MOPS, F-57070 Metz, France. RP Kazimirov, A (reprint author), Cornell Univ, Cornell High Energy Synchrotron Source, Ithaca, NY 14853 USA. EM ayk7@cornell.edu NR 16 TC 9 Z9 9 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0022-3727 J9 J PHYS D APPL PHYS JI J. Phys. D-Appl. Phys. PD APR 7 PY 2006 VL 39 IS 7 BP 1422 EP 1426 DI 10.1088/0022-3727/39/7/013 PG 5 WC Physics, Applied SC Physics GA 038JX UT WOS:000237216900021 ER PT J AU Fan, L Arvai, AS Cooper, PK Iwai, S Hanaoka, F Tainer, JA AF Fan, L Arvai, AS Cooper, PK Iwai, S Hanaoka, F Tainer, JA TI Conserved XPB core structure and motifs for DNA unwinding: Implications for pathway selection of transcription or excision repair SO MOLECULAR CELL LA English DT Article ID RNA-POLYMERASE-II; STRAND BREAK REPAIR; XERODERMA-PIGMENTOSUM; CRYSTAL-STRUCTURE; FACTOR TFIIH; MUTATIONAL ANALYSIS; COCKAYNE-SYNDROME; HELICASE DOMAIN; ABASIC SITES; MECHANISM AB The human xeroderma pigmentosum group B (XPB) helicase is essential for transcription, nucleotide excision repair, and TFIIH functional assembly. Here, we determined crystal structures of an Archaeoglobus fulgidus XPB homolog (AfXPB) that characterize two RecA-like XPB helicase domains and discover a DNA damage recognition domain (DRD), a unique RED motif, a flexible thumb motif (ThM), and implied conformational changes within a conserved functional core. RED motif mutations dramatically reduce helicase activity, and the DRD and ThM, which flank the RED motif, appear structurally as well as functionally analogous to the MutS mismatch recognition and DNA polymerase thumb domains. Substrate specificity is altered by DNA damage, such that AfXPB unwinds dsDNA with 3'extensions, but not blunt-ended dsDNA, unless it contains a lesion, as shown for CPD or (6-4) photoproducts. Together, these results provide an unexpected mechanism of DNA unwinding with implications for XPB damage verification in nucleotide excision repair. C1 Lawrence Berkeley Natl Lab, Div Life Sci, Dept Mol Biol, Berkeley, CA 94720 USA. Scripps Res Inst, Dept Mol Biol, Skaggs Inst Chem Biol, La Jolla, CA 92037 USA. Osaka Univ, Div Chem, Grad Sch Engn Sci, Toyonaka, Osaka 5608531, Japan. Osaka Univ, Grad Sch Frontier Biosci, Suita, Osaka 5650871, Japan. Japan Sci & Technol Agcy, Suita, Osaka 5650871, Japan. RP Tainer, JA (reprint author), Lawrence Berkeley Natl Lab, Div Life Sci, Dept Mol Biol, Berkeley, CA 94720 USA. EM jat@scripps.edu FU NCI NIH HHS [CA63503, CA92584] NR 57 TC 88 Z9 92 U1 0 U2 5 PU CELL PRESS PI CAMBRIDGE PA 1100 MASSACHUSETTS AVE, CAMBRIDGE, MA 02138 USA SN 1097-2765 J9 MOL CELL JI Mol. Cell PD APR 7 PY 2006 VL 22 IS 1 BP 27 EP 37 DI 10.1016/j.molcel.2006.02.017 PG 11 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 034AX UT WOS:000236897700004 PM 16600867 ER PT J AU Knoll, DA Chacon, L AF Knoll, DA Chacon, L TI Coalescence of magnetic islands in the low-resistivity, Hall-MHD regime SO PHYSICAL REVIEW LETTERS LA English DT Article ID RECONNECTION SOLUTIONS; INSTABILITY AB The coalescence of magnetic islands in the low-resistivity eta, Hall-MHD regime is studied. The interaction between the ion inertial length d(i) and the dynamically evolving current sheet scale length delta(J) is established. Initially, d(i) 0.01. Upon addition of NaCI or excess HCl a gel transformed back to a liquid resulted from the screening of electrostatic interactions. (c) 2006 Elsevier Ltd. All rights reserved. C1 Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA. Oak Ridge Natl Lab, Condensed Matter Sci Div, Oak Ridge, TN 37831 USA. Univ Waterloo, Dept Chem, Polymer Res Inst, Waterloo, ON N2L 3G1, Canada. RP Yun, SI (reprint author), Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA. EM augustinysi@yahoo.com RI Briber, Robert/A-3588-2012 OI Briber, Robert/0000-0002-8358-5942 NR 46 TC 10 Z9 10 U1 1 U2 7 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0032-3861 J9 POLYMER JI Polymer PD APR 5 PY 2006 VL 47 IS 8 BP 2750 EP 2759 DI 10.1016/j.polymer.2006.02.018 PG 10 WC Polymer Science SC Polymer Science GA 033AG UT WOS:000236817700021 ER PT J AU Bals, S Van Tendeloo, G Kisielowski, C AF Bals, S Van Tendeloo, G Kisielowski, C TI A new approach for electron tomography: Annular dark-field transmission electron microscopy SO ADVANCED MATERIALS LA English DT Article ID NANOMETER-SCALE; Z-CONTRAST; TEM AB Annular dark-field transmission electron microscopy uses an annular objective aperture that blocks the central beam and all electrons scattered up to a certain serniangle. A contrast suitable for electron tomography is generated and 3D reconstructions of CdTe tetrapods and C nanotubes (see figure) are successfully obtained. With short exposure times and high contrast, the technique could be useful not only for materials science, but also for biological applications. C1 Univ Antwerp, EMAT, B-2020 Antwerp, Belgium. Lawrence Berkeley Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. RP Bals, S (reprint author), Univ Antwerp, EMAT, Groenenborgerlaan 171, B-2020 Antwerp, Belgium. EM Sara.Bals@ua.ac.be RI Bals, Sara/F-6963-2016 NR 18 TC 40 Z9 42 U1 0 U2 19 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0935-9648 J9 ADV MATER JI Adv. Mater. PD APR 4 PY 2006 VL 18 IS 7 BP 892 EP + DI 10.1002/adma.200502201 PG 5 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 034SI UT WOS:000236950500013 ER PT J AU Li, F Sarkhel, S Wilds, CJ Wawrzak, Z Prakash, TP Manoharan, M Egli, M AF Li, F Sarkhel, S Wilds, CJ Wawrzak, Z Prakash, TP Manoharan, M Egli, M TI 2 '-fluoroarabino- and arabinonucleic acid show different conformations, resulting in deviating RNA affinities and processing of their heteroduplexes with RNA by RNase H SO BIOCHEMISTRY LA English DT Article ID ANTICANCER NUCLEOSIDE ARABINOSYLCYTOSINE; RESTRAINED MOLECULAR-DYNAMICS; RELAXATION MATRIX REFINEMENT; CRYSTAL-STRUCTURES; B-DNA; ANTISENSE OLIGONUCLEOTIDES; MACROMOLECULAR STRUCTURES; BIOPHYSICAL PROPERTIES; ATOMIC-RESOLUTION; HYBRID DUPLEXES AB 2'-Deoxy-2'-fluoro-arabinonucleic acid (FANA) and arabinonucleic acid (ANA) paired to RNA are substrates of RNase H. The conformation of the natural DNA/RNA hybrid Substrates appears to be neither A-form nor B-form. Consistent with this, the conformations of FANA and ANA were found to be intermediate between the A- and B-forms. However, FANA opposite RNA is preferred by RNase H over ANA, and the RNA affinity of FANA considerably exceeds that of ANA. By investigating the conformational boundaries of FANA and ANA residues in crystal structures of A- and B-form DNA duplexes at atomic resolution, we demonstrate that FANA and ANA display subtle conformational differences. The structural data provide insight into the Structural requirements at the catalytic site of RNase H. They also allow conclusions with regard to the relative importance of stereoelectronic effects and hydration as modulators of RNA affinity. C1 Vanderbilt Univ, Sch Med, Dept Biochem, Nashville, TN 37232 USA. Vanderbilt Univ, Coll Arts & Sci, Dept Biol Sci, Nashville, TN 37235 USA. Drexel Univ, Dept Biochem, Philadelphia, PA 19102 USA. Concordia Univ, Dept Chem & Biochem, Montreal, PQ H4B 1R6, Canada. Argonne Natl Lab, Adv Photon Source, DND CAT Synchrotron Res Ctr, Argonne, IL 60439 USA. Isis Pharmaceut Inc, Dept Med Chem, Carlsbad, CA 92008 USA. Alnylam Pharmaceut, Dept Drug Discovery, Cambridge, MA 02142 USA. RP Egli, M (reprint author), Vanderbilt Univ, Sch Med, Dept Biochem, 221 Kirkland Hall, Nashville, TN 37232 USA. EM martin.egli@vanderbilt.edu RI Wilds, Christopher/K-4012-2013; Sarkhel, Sanjay/C-9571-2014 OI Wilds, Christopher/0000-0002-0336-4753; Sarkhel, Sanjay/0000-0003-2369-6605 FU NIGMS NIH HHS [GM55237, R01 GM055237, R01 GM055237-10] NR 65 TC 24 Z9 24 U1 1 U2 8 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0006-2960 J9 BIOCHEMISTRY-US JI Biochemistry PD APR 4 PY 2006 VL 45 IS 13 BP 4141 EP 4152 DI 10.1021/bi052322r PG 12 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 028XE UT WOS:000236521300011 PM 16566588 ER PT J AU Gourdon, O Miller, GJ AF Gourdon, O Miller, GJ TI Intergrowth compounds in the Zn-rich Zn-Pd system: Toward 1D quasicrystal approximants SO CHEMISTRY OF MATERIALS LA English DT Article ID HEXAGONAL PEROVSKITE; X-RAY; GAMMA; PHASE; DEFINITION; REFINEMENT; SYMMETRY; ELEMENTS; DOMAINS AB A series of gamma-brass related structures in the Zn-rich portion of the Zn-Pd phase diagram (ca. 80 at % Zn) is investigated using single-crystal diffraction and tight-binding electronic-structure calculations. Earlier research identified regular arrays of inversion antiphase domains (IAPDs) over a narrow composition range but did not report any characteristic superstructure(s) over the same range. Single-crystal X-ray diffraction allowed for the identification of lattice constants for six "phases" in Zn1-xPdx (0.15 < x < 0.25), and refinements of two crystal structures indicate two important potential building blocks for the intermediate compositions, one of these being the cubic gamma-brass structure. A Farey tree construction is described that accounts for the observed long-period superlattice and provides a possible algorithm for targeting one-dimensional, quasiperiodic phases in this and related systems. Tight-binding electronic-structure calculations on the two limiting structures for this region of the Zn-Pd phase diagram suggest a relationship between structure and bonding in these complex intermetallic systems. C1 Iowa State Univ, US Dept Energy, Dept Chem, Ames, IA 50011 USA. Iowa State Univ, US Dept Energy, Ames Lab, Ames, IA 50011 USA. RP Miller, GJ (reprint author), Iowa State Univ, US Dept Energy, Dept Chem, Ames, IA 50011 USA. EM gmiller@iastate.edu NR 58 TC 17 Z9 17 U1 0 U2 5 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD APR 4 PY 2006 VL 18 IS 7 BP 1848 EP 1856 DI 10.1021/cm0526415 PG 9 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 028PC UT WOS:000236499300019 ER PT J AU Chervin, CN Clapsaddle, BJ Chiu, HW Gash, AE Satcher, JH Kauzlarich, SM AF Chervin, CN Clapsaddle, BJ Chiu, HW Gash, AE Satcher, JH Kauzlarich, SM TI A non-alkoxide sol-gel method for the preparation of homogeneous nanocrystalline powders of La0.85Sr0.15MnO3 SO CHEMISTRY OF MATERIALS LA English DT Article ID OXIDE FUEL-CELL; ELECTRICAL-CONDUCTIVITY; LANTHANUM MANGANITES; METAL-OXIDES; MAJOR PHASE; LA1-XSRXMNO3+DELTA; AEROGELS; ROUTE; NANOCOMPOSITES; ELECTROLYTE AB Homogeneous, nanocrystalline La1-xSrxMnO3 (LSM) powders, with x similar to 0.15, were synthesized with the epoxide addition sol-gel method. Through this simple technique, sol-gel materials were prepared from methanolic solutions of metal chlorides without the need for alkoxides, polymeric gel agents, or elaborate reaction schemes. The gels were dried in ambient conditions, resulting in mesoporous xerogels with networked nanostructures interconnecting particulate regions. Calcination of the dried gels resulted in the crystallization of single-phase LSM by 700 degrees C, after decomposition of intermediate hydroxide, chloride, and oxychloride compounds. SEM analysis indicated that the calcined powders were nanocrystalline and consisted of discrete particles, free of hard agglomeration. The average crystallite size and equivalent spherical diameter determined from XRD line broadening and BET analysis, respectively, were in good agreement with the SEM results (similar to 100 nm). The activation energies for the electronic conductivity from 1000 to 400 degrees C of sintered LSM xerogels were from 0.13 to 0.15 CV, in excellent agreement with previous reported results for LSM with x similar to 0.15. C1 Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. Lawrence Livermore Natl Lab, Univ Outreach & Chem & Mat Sci Directorate, Livermore, CA 94550 USA. RP Kauzlarich, SM (reprint author), Univ Calif Davis, Dept Chem, 1 Shields Ave, Davis, CA 95616 USA. NR 46 TC 24 Z9 25 U1 3 U2 17 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0897-4756 J9 CHEM MATER JI Chem. Mat. PD APR 4 PY 2006 VL 18 IS 7 BP 1928 EP 1937 DI 10.1021/cm052301j PG 10 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 028PC UT WOS:000236499300030 ER PT J AU Wilmes, GM Durkee, DA Balsara, NP Liddle, JA AF Wilmes, GM Durkee, DA Balsara, NP Liddle, JA TI Bending soft block copolymer nanostructures by lithographically directed assembly SO MACROMOLECULES LA English DT Article ID THIN-FILMS; DIBLOCK COPOLYMERS; CONFINEMENT; DIMENSIONS; MONOLAYERS; CYLINDERS; POLYMERS C1 Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Mat Sci & Energy & Environm Technol Div, Berkeley, CA 94720 USA. RP Balsara, NP (reprint author), Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. EM nbalsara@berkeley.edu; jaliddle@lbl.gov RI Liddle, James/A-4867-2013 OI Liddle, James/0000-0002-2508-7910 NR 28 TC 53 Z9 53 U1 1 U2 19 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0024-9297 J9 MACROMOLECULES JI Macromolecules PD APR 4 PY 2006 VL 39 IS 7 BP 2435 EP 2437 DI 10.1021/ma0526443 PG 3 WC Polymer Science SC Polymer Science GA 029OZ UT WOS:000236574400003 ER PT J AU Theato, P Brehmer, M Conrad, L Frank, CW Funk, L Yoon, DY Luning, J AF Theato, P Brehmer, M Conrad, L Frank, CW Funk, L Yoon, DY Luning, J TI Surface reorganization of an amphiphilic block copolymer film studied by NEXAFS spectroscopy SO MACROMOLECULES LA English DT Article ID BISPHENOL-A-POLYCARBONATE; POLYMER SURFACES; POLY(DIMETHYLSILOXANE); ORIENTATION; MORPHOLOGY; SPECTRA AB The chemical composition of the surface of an amphiphilic diblock copolymer film, comprised of polystyrene and poly(4-(2-(2-(2-acetoxy)ethoxy)ethoxy)styrene), has been characterized upon equilibration in water and in a vacuum, employing surface sensitive near-edge X-ray absorption fine structure spectroscopy. The outermost surface layer exhibits a reversible exchange between the hydrophilic and hydrophobic polymer segments as the equilibrating interface is changed between water and vacuum, respectively. Surprisingly, time-dependent measurements show that a substantial partial molecular reorganization toward a vacuum-equilibrated surface occurs already at 60 degrees C, which is significantly below the glass transition temperature of the polystyrene block. C1 Univ Mainz, Inst Organ Chem, D-55099 Mainz, Germany. Stanford Univ, Dept Chem Engn, Stanford, CA 94305 USA. Seoul Natl Univ, Dept Chem, Seoul 151747, South Korea. Stanford Synchrotron Radiat Lab, Stanford, CA 94309 USA. RP Theato, P (reprint author), Univ Mainz, Inst Organ Chem, Duesbergweg 10-14, D-55099 Mainz, Germany. EM theato@uni-mainz.de; j.luning@stanford.edu RI Theato, Patrick/B-8588-2008; OI Theato, Patrick/0000-0002-4562-9254; Funk, Lutz/0000-0002-5696-3522 NR 24 TC 11 Z9 11 U1 0 U2 7 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0024-9297 J9 MACROMOLECULES JI Macromolecules PD APR 4 PY 2006 VL 39 IS 7 BP 2592 EP 2595 DI 10.1021/ma0509964 PG 4 WC Polymer Science SC Polymer Science GA 029OZ UT WOS:000236574400026 ER PT J AU Pando, B Davvson, SP Mak, DOD Pearson, JE AF Pando, B Davvson, SP Mak, DOD Pearson, JE TI Messages diffuse faster than messengers SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE binding; effective diffusion; fluorescence recovery after photobleaching; tagged particles; traps ID CELLS; CALCIUM; MOBILITY; RECEPTORS; MEMBRANES; MOLECULES; RECOVERY; PROTEINS; DYNAMICS AB in many cell-signaling pathways, information is transmitted by the diffusion of messenger molecules. Diffusion coefficients characterize the messenger's spatial range and the characteristic times of signal propagation. Inside cells, particles usually diffuse in the presence of immobile binding sites (or traps). It is well known that binding to traps results in an effective diffusion coefficient that is smaller than the free coefficient in media free of traps. To measure effective diffusion coefficients in cells, "tagged" particles are often used. Radioactive calcium was used in a giant squid axon and in cytosolic extracts of Xenopus laevis oocytes. Fluorescence recovery after photobleaching yields diffusion coefficients from observations of the distribution of fluorescently labeled proteins. In the absence of traps, free diffusion coefficients give both the rate at which single-particle mean square displacements increase and the rate at which information in the form of inhomogeneities in particle concentration spread out with time. We show here that, in the presence of traps, information diffuses faster than single particles. Thus, messages diffuse faster than messengers. Tagged-particle experiments give the single-particle diffusion coefficients and, thus, can underestimate the rate of diffusive signal propagation. C1 MIT, Dept Phys, Cambridge, MA 02139 USA. Univ Buenos Aires, Fac Ciencias Exactas & Nat, Dept Fis, RA-1428 Buenos Aires, DF, Argentina. Univ Penn, Dept Physiol, Philadelphia, PA 19104 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Pearson, JE (reprint author), MIT, Dept Phys, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM pearson@lanl.gov OI Ponce Dawson, Silvina/0000-0001-6550-4267 FU NIGMS NIH HHS [R01 GM 65830-01, R01 GM065830] NR 19 TC 15 Z9 16 U1 0 U2 1 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD APR 4 PY 2006 VL 103 IS 14 BP 5338 EP 5342 DI 10.1073/pnas.0509576103 PG 5 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 030LP UT WOS:000236636400020 PM 16569700 ER PT J AU Misura, KMS Chivian, D Rohl, CA Kim, DE Baker, D AF Misura, KMS Chivian, D Rohl, CA Kim, DE Baker, D TI Physically realistic homology models built with ROSETTA can be more accurate than their templates SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE fragment assembly; structure prediction ID PROTEIN-STRUCTURE MODELS; STRUCTURE PREDICTION; SEQUENCE; RECOGNITION; GENERATION; REFINEMENT; PROGRAMS; CASP5 AB We have developed a method that combines the ROSETTA de novo, protein folding and refinement protocol with distance constraints derived from homologous structures to build homology models that are frequently more accurate than their templates. We test this method by building complete-chain models for a benchmark set of 22 proteins, each with 1 or 2 candidate templates, for a total of 39 test cases. We use structure-based and sequence-based alignments for each of the test cases. All atoms, including hydrogens, are represented explicitly. The resulting models contain approximately the same number of atomic overlaps as experimentally determined crystal structures and maintain good stereochemistry. The most accurate models can be identified by their energies, and in 22 of 39 cases a model that is more accurate than the template over aligned regions is one of the 10 lowest-energy models. C1 Univ Washington, Dept Biochem, Seattle, WA 98195 USA. RP Baker, D (reprint author), Lawrence Berkeley Lab, Phys Biosci Div, 1 Cyclotron Rd,MS 977-152, Berkeley, CA 94720 USA. EM dabaker@u.washington.edu RI Rohl, Carol/I-2589-2012; Baker, David/K-8941-2012 OI Rohl, Carol/0000-0002-9229-3917; Baker, David/0000-0001-7896-6217 NR 23 TC 110 Z9 112 U1 0 U2 6 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD APR 4 PY 2006 VL 103 IS 14 BP 5361 EP 5366 DI 10.1073/pnas.0509355103 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 030LP UT WOS:000236636400024 PM 16567638 ER PT J AU Huynh, MHV Hiskey, MA Meyer, TJ Wetzler, M AF Huynh, MHV Hiskey, MA Meyer, TJ Wetzler, M TI Green primaries: Environmentally friendly energetic complexes SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE copper; green; iron; primary explosives; tetrazole AB Primary explosives are used in small quantities to generate a detonation wave when subjected to a flame, heat, impact, electric spark, or friction. Detonation of the primary explosive initiates the secondary booster or main-charge explosive or propellant. Longterm use of lead azide and lead styphnate as primary explosives has resulted in lead contamination at artillery and firing ranges and become a major health hazard and environmental problem for both military and civilian personnel. Devices using lead primary explosives are manufactured by the tens of millions every year in the United States from primers for bullets to detonators for mining. Although substantial synthetic efforts have long been focused on the search for greener primary explosives, this unresolved problem has become a "holy grail" of energetic materials research. Existing candidates suffer from instability or excessive sensitivity, or they possess toxic metals or perchlorate. We report here four previously undescribed green primary explosives based on complex metal dianions and environmentally benign cations, (cat)(2)[M-II(NT)(4)(H2O)(2)] (where cat is NH4+ or Na+, M is Fe2+ or Cu2+, and NT- is 5-nitrotetrazolato-N-2). They are safer to prepare, handle, and transport than lead compounds, have comparable initiation efficiencies to lead azide, and offer rapid reliable detonation comparable with lead styphnate. Remarkably, they possess all current requirements for green primary explosives and are suitable to replace lead primary explosives in detonators. More importantly, they can be synthesized more safely, do not pose health risks to personnel, and cause much less pollution to the environment. C1 Los Alamos Natl Lab, Dynam Experimentat Div, Los Alamos, NM 87545 USA. Univ N Carolina, Dept Chem, Chapel Hill, NC 27599 USA. Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Meyer, TJ (reprint author), Los Alamos Natl Lab, Dynam Experimentat Div, DX-2 High Explos Sci & Technol, Los Alamos, NM 87545 USA. EM tjmeyer@unc.edu NR 22 TC 130 Z9 134 U1 1 U2 35 PU NATL ACAD SCIENCES PI WASHINGTON PA 2101 CONSTITUTION AVE NW, WASHINGTON, DC 20418 USA SN 0027-8424 J9 P NATL ACAD SCI USA JI Proc. Natl. Acad. Sci. U. S. A. PD APR 4 PY 2006 VL 103 IS 14 BP 5409 EP 5412 DI 10.1073/pnas.0600827103 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 030LP UT WOS:000236636400032 PM 16567623 ER PT J AU Carini, GA Bolotnikov, AE Camarda, GS Wright, GW James, RB Li, L AF Carini, GA Bolotnikov, AE Camarda, GS Wright, GW James, RB Li, L TI Effect of Te precipitates on the performance of CdZnTe detectors SO APPLIED PHYSICS LETTERS LA English DT Article AB Measurements using the National Synchrotron Light Source provided a detailed comparisons of the microscale detector response and infrared microscopy images for CdZnTe Frisch-ring x-ray and gamma detectors. Analysis of the data showed conclusively that local deteriorations of the electron charge collection and x-ray device response fully correlate with the presence of Te precipitates as seen in the IR images. Effects of the surface processing conditions on the detector performance were also clearly observed. (c) 2006 American Institute of Physics. C1 Brookhaven Natl Lab, Dept Nonproliferat & Natl Secur, Upton, NY 11973 USA. Yinnel Tech Inc, South Bend, IN 46619 USA. RP Carini, GA (reprint author), Brookhaven Natl Lab, Dept Nonproliferat & Natl Secur, Upton, NY 11973 USA. EM carini@bnl.gov NR 8 TC 96 Z9 97 U1 4 U2 23 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 3 PY 2006 VL 88 IS 14 AR 143515 DI 10.1063/1.2189912 PG 3 WC Physics, Applied SC Physics GA 030CX UT WOS:000236612000117 ER PT J AU Cooley, LD Hu, YF Moodenbaugh, AR AF Cooley, LD Hu, YF Moodenbaugh, AR TI Enhancement of the upper critical field of Nb3Sn utilizing disorder introduced by ball milling the elements SO APPLIED PHYSICS LETTERS LA English DT Article ID A-15 SUPERCONDUCTORS; POWDERS AB Nb3Sn was prepared by milling Nb and Sn powder mixtures followed by limited reactions to restrict disorder recovery. Although disorder reduced the superconducting critical temperature T-c, the concomitant electron scattering increased the upper critical field mu H-0(c2) to as high as 35 T at 0 K, as determined by the Werthamer-Helfand-Hohenberg equation. H-c2 was higher for longer milling times and lower annealing temperatures. Substitution of 2% Ti for Nb did not appreciably enhance H-c2, suggesting that alloying mitigates the benefits of disorder. Since alloyed Nb3Sn wires have mu H-0(c2)(0)approximate to 29 T, wires based on heavily milled powders could extend the field range for applications if they can be made with high current density. (c) 2006 American Institute of Physics. C1 Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. RP Cooley, LD (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. EM ldcooley@bnl.gov RI Cooley, Lance/E-7377-2015 OI Cooley, Lance/0000-0003-3488-2980 NR 16 TC 10 Z9 10 U1 1 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 3 PY 2006 VL 88 IS 14 AR 142506 DI 10.1063/1.2193047 PG 3 WC Physics, Applied SC Physics GA 030CX UT WOS:000236612000062 ER PT J AU Di, ZF Chu, PK Zhu, M Fu, RKY Luo, SH Shao, L Nastasi, M Chen, P Alford, TL Mayer, JW Zhang, M Liu, WL Song, ZT Lin, CL AF Di, ZF Chu, PK Zhu, M Fu, RKY Luo, SH Shao, L Nastasi, M Chen, P Alford, TL Mayer, JW Zhang, M Liu, WL Song, ZT Lin, CL TI Fabrication of silicon-on-SiO2/diamondlike-carbon dual insulator using ion cutting and mitigation of self-heating effects SO APPLIED PHYSICS LETTERS LA English DT Article ID SILICON-ON-DIAMOND; IMPLANTATION; TECHNOLOGY; MOSFETS AB A diamondlike-carbon (DLC) layer was used to substitute for the buried SiO2 layer in silicon on insulator (SOI) to mitigate the self-heating effects in our previous study. However, we discovered drawbacks associated with the inferior Si/DLC interface, inadequate thermal stability as well as carbon-silicon interdiffusion at the Si/DLC interface that could hamper future application of this silicon-on-diamond structure to microelectronic devices. In this work, we introduced a silicon dioxide barrier layer between the Si film and DLC buried layer to form a silicon-on-SiO2/DLC dual-insulator structure to tackle these problems. Cross-sectional high-resolution transmission electron microscopy reveals that the Si/insulator interface is atomically flat and the top Si layer has nearly perfect crystalline quality. The SiO2/DLC dual-insulator layer retains excellent insulating properties at typical complementary metal oxide silicon processing temperatures. Numerical simulation reveals that the negative differential resistance and channel temperature are significantly reduced compared with those of the same metal oxide semiconductor field effect transistors fabricated in conventional SiO2-based SOI, suggesting that the silicon-on-dual-insulator structure can alleviate the self-heating penalty effectively. (c) 2006 American Institute of Physics. C1 City Univ Hong Kong, Dept Phys Mat Sci, Kowloon, Hong Kong, Peoples R China. Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. Univ Calif San Diego, Dept Elect & Comp Engn, La Jolla, CA 92093 USA. Arizona State Univ, Dept Chem & Mat Engn, Tempe, AZ 85287 USA. Chinese Acad Sci, Res Ctr Semicond Funct Film Engn Technol, SIMIT, Shanghai 200050, Peoples R China. Chinese Acad Sci, State Key Lab Funct Mat Informat, SIMIT, Shanghai 200050, Peoples R China. RP Chu, PK (reprint author), City Univ Hong Kong, Dept Phys Mat Sci, Tat Chee Ave, Kowloon, Hong Kong, Peoples R China. EM paul.chu@cityu.edu.hk RI di, zengfeng/B-1684-2010; Chen, Peng/H-3384-2012; Chu, Paul/B-5923-2013 OI Chu, Paul/0000-0002-5581-4883 NR 20 TC 8 Z9 8 U1 2 U2 4 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 3 PY 2006 VL 88 IS 14 AR 142108 DI 10.1063/1.2192981 PG 3 WC Physics, Applied SC Physics GA 030CX UT WOS:000236612000049 ER PT J AU Gilbert, KEH Lehman, JH Dillon, AC Blackburn, JL AF Gilbert, KEH Lehman, JH Dillon, AC Blackburn, JL TI Toward rapid and inexpensive identification of bulk carbon nanotubes SO APPLIED PHYSICS LETTERS LA English DT Article ID SPECTROSCOPY; PURITY AB The volume fraction of metallic and semiconducting carbon single-wall nanotubes (SWNTs) has been estimated for purified laser vaporization SWNTs, from an effective medium approximation and the measured spectral responsivity of a LiTaO3 pyroelectric detector covered with SWNT "bucky" paper. The detector spectral responsivity from 600 to 2000 nm is proportional to the expected absorption coefficient of the SWNTs, and variations near 700, 950, and 1750 nm correlate with characteristic interband transitions and proportions of SWNTs consistent with 20% metal and 80% semiconductor materials. C1 Natl Inst Stand & Technol, Boulder, CO 80305 USA. Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Lehman, JH (reprint author), Natl Inst Stand & Technol, Boulder, CO 80305 USA. EM lehman@boulder.nist.gov RI Blackburn, Jeffrey/D-7344-2012 NR 13 TC 7 Z9 7 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 3 PY 2006 VL 88 IS 14 AR 143122 DI 10.1063/1.2193797 PG 3 WC Physics, Applied SC Physics GA 030CX UT WOS:000236612000096 ER PT J AU Luo, JW Li, SS Xia, JB Wang, LW AF Luo, JW Li, SS Xia, JB Wang, LW TI Comparative study for colloidal quantum dot conduction band state calculations SO APPLIED PHYSICS LETTERS LA English DT Article ID ELECTRONIC-STRUCTURE; SI NANOCRYSTALS; LEVEL STRUCTURE; P METHOD; CONFINEMENT; CLUSTERS AB By comparing the results of some well-controlled calculation methods, we analyze the relative importance of bulk band structure, multi-bulk-band coupling, and boundary conditions in determining colloidal quantum dot conduction band eigenenergies. We find that while the bulk band structure and correct boundary conditions are important, the effects of multi-bulk-band coupling are small. C1 Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. Chinese Acad Sci, Inst Semicond, State Key Lab Superlatt & Microstruct, Beijing 100083, Peoples R China. RP Wang, LW (reprint author), Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. EM jwluo@red.semi.ac.cn; lwwang@lbl.gov RI LUO, JUN-WEI/A-8491-2010; LUO, JUNWEI/B-6545-2013 NR 27 TC 13 Z9 13 U1 1 U2 5 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 3 PY 2006 VL 88 IS 14 AR 143108 DI 10.1063/1.2192575 PG 3 WC Physics, Applied SC Physics GA 030CX UT WOS:000236612000082 ER PT J AU Ma, HB Wilson, C Borgmeyer, B Park, K Yu, Q Choi, SUS Tirumala, M AF Ma, HB Wilson, C Borgmeyer, B Park, K Yu, Q Choi, SUS Tirumala, M TI Effect of nanofluid on the heat transport capability in an oscillating heat pipe SO APPLIED PHYSICS LETTERS LA English DT Article ID EFFECTIVE THERMAL-CONDUCTIVITIES; NANOPARTICLES; ENHANCEMENT; PERFORMANCE; EVAPORATION; FLUIDS; FLUX AB By combining nanofluids with thermally excited oscillating motion in an oscillating heat pipe (OHP), we developed an ultrahigh-performance cooling device, called the nanofluid oscillating heat pipe. Experimental results show that when the OHP is charged with nanofluid, heat transport capability significantly increases. For example, at the input power of 80.0 W, diamond nanofluid can reduce the temperature difference between the evaporator and the condenser from 40.9 to 24.3 degrees C. This study will accelerate the development of a highly efficient cooling device for ultrahigh-heat-flux electronic systems. C1 Univ Missouri, Columbia, MO 65211 USA. Argonne Natl Lab, Argonne, IL 60439 USA. Intel Corp, Hillsboro, OR 97124 USA. RP Ma, HB (reprint author), Univ Missouri, Columbia, MO 65211 USA. EM mah@missouri.edu NR 19 TC 117 Z9 134 U1 1 U2 29 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 3 PY 2006 VL 88 IS 14 AR 143116 DI 10.1063/1.2192971 PG 3 WC Physics, Applied SC Physics GA 030CX UT WOS:000236612000090 ER PT J AU McCarty, KF Pierce, JP Carter, CB AF McCarty, KF Pierce, JP Carter, CB TI Translation-related domain boundaries form to relieve strain in a thin alumina film on NiAl (110) SO APPLIED PHYSICS LETTERS LA English DT Article ID TRANSMISSION ELECTRON-MICROSCOPY; ANTIPHASE BOUNDARIES; GROWTH; DEFECTS; GAAS AB We examine how translation-related domains form in thin alumina films synthesized by oxidizing a NiAl (110) surface. Low-energy electron microscopy observations reveal that translation-related domains (sometimes called antiphase domains in the literature) are created within isolated alumina islands as they grow or are annealed. Thus, the domains do not originate when islands with displaced lattices impinge, as frequently assumed in models of film growth. Even though the planar defects that bound the translation-related domains cost energy, the misfit dislocations that terminate the domain boundaries lower the film's strain energy. C1 Sandia Natl Labs, Livermore, CA 94550 USA. Univ Minnesota, Minneapolis, MN 55455 USA. RP Sandia Natl Labs, Livermore, CA 94550 USA. EM mccarty@sandia.gov RI McCarty, Kevin/F-9368-2012; Carter, C. Barry/E-6478-2010 OI McCarty, Kevin/0000-0002-8601-079X; Carter, C. Barry/0000-0003-4251-9102 NR 24 TC 10 Z9 10 U1 1 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 3 PY 2006 VL 88 IS 14 AR 141902 DI 10.1063/1.2191739 PG 3 WC Physics, Applied SC Physics GA 030CX UT WOS:000236612000017 ER PT J AU Ou, FS Saraf, LV Baer, DR AF Ou, FS Saraf, LV Baer, DR TI Patterned regions of porous silicon through trapped hydrogen bubbles SO APPLIED PHYSICS LETTERS LA English DT Article ID FOCUSED-ION-BEAM; CARBON NANOTUBES; FABRICATION; MICROSTRUCTURES; NANOSTRUCTURES; IMPLANTATION; EMISSION; SURFACE; WAFERS; ARRAYS AB Hydrogen (H-2) bubbles trapped around lithographically formed etch pits on silicon single crystal surfaces were used to guide the formation of patterned regions of porous silicon (PSi). Lithography and (electro) chemical etching were utilized to form PSi and guide this growth. It was observed that the pits were surrounded by round regions of PSi suggesting that H-2 bubbles defined the areas of PSi formation. PSi porosity seemed to form primarily at the bubble edges, lowering overall etch rate near the bubble center. This is consistent with a variable rate of bubble expansion and an ability of the H-2 to mask or slow the reaction in the bubble center. Contrary to our initial expectations, the surface profile suggested that the region away from the bubbles was also etched, but very uniformly. C1 Rensselaer Polytech Inst, Dept Mat Sci & Engn, Troy, NY 12180 USA. Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Rensselaer Polytech Inst, Dept Mat Sci & Engn, Troy, NY 12180 USA. EM ouf@rpi.edu RI Baer, Donald/J-6191-2013 OI Baer, Donald/0000-0003-0875-5961 NR 25 TC 4 Z9 4 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 3 PY 2006 VL 88 IS 14 AR 143113 DI 10.1063/1.2188039 PG 3 WC Physics, Applied SC Physics GA 030CX UT WOS:000236612000087 ER PT J AU Picard, YN Adams, DP Palmer, JA Yalisove, SM AF Picard, YN Adams, DP Palmer, JA Yalisove, SM TI Pulsed laser ignition of reactive multilayer films SO APPLIED PHYSICS LETTERS LA English DT Article ID COMBUSTION SYNTHESIS; TI-AL; ABLATION; CU; METALS; FOILS AB Nanostructured Al/Pt multilayer films were ignited by single pulse irradiation from a Ti:sapphire femtosecond laser system. Critical ignition fluences (0.9-22 J/cm(2)) required to initiate a self-propagating reaction were quantified for different multilayer designs. Multilayers with smaller bilayer thickness required relatively lower fluence for ignition. Ignition threshold fluence was also found to be 1.4-3.6 times higher for Al-capped multilayers than for Pt-capped multilayers. Ablation threshold fluences were measured for Al (860 +/- 70 mJ/cm(2)) and Pt (540 +/- 50 mJ/cm(2)) and related to the observed difference in ignition fluences for Al- and Pt-capped multilayers. (c) 2006 American Institute of Physics. C1 Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Univ Michigan, Dept Mat Sci & Engn, 2300 Hayward St, Ann Arbor, MI 48109 USA. EM vpicard@umich.edu OI Picard, Yoosuf/0000-0002-2853-5213 NR 23 TC 27 Z9 29 U1 0 U2 10 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 3 PY 2006 VL 88 IS 14 AR 144102 DI 10.1063/1.2191952 PG 3 WC Physics, Applied SC Physics GA 030CX UT WOS:000236612000119 ER PT J AU Rao, MSR Kundaliya, DC Ogale, SB Fu, LF Welz, SJ Browning, ND Zaitsev, V Varughese, B Cardoso, CA Curtin, A Dhar, S Shinde, SR Venkatesan, T Lofland, SE Schwarz, SA AF Rao, MSR Kundaliya, DC Ogale, SB Fu, LF Welz, SJ Browning, ND Zaitsev, V Varughese, B Cardoso, CA Curtin, A Dhar, S Shinde, SR Venkatesan, T Lofland, SE Schwarz, SA TI Search for ferromagnetism in undoped and cobalt-doped HfO2-delta SO APPLIED PHYSICS LETTERS LA English DT Article ID ATOMIC-LAYER DEPOSITION; TEMPERATURE FERROMAGNETISM; FILMS AB We report on the search for ferromagnetism in undoped and cobalt-doped high-k dielectric HfO2 films. Over a broad range of growth conditions, we do not observe ferromagnetism in undoped HfO2 films. On the other hand, we do observe room temperature ferromagnetism in dilutely Co-doped HfO2 films, but the origin of the same appears extrinsic (a Co rich surface layer) at least for the regime of growth conditions explored. (c) 2006 American Institute of Physics. C1 Univ Maryland, Dept Phys, Ctr Supercond Res, College Pk, MD 20742 USA. Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. NCEM, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. SUNY Stony Brook, Dept Mat Sci & Engn, Moscow 117901, Russia. Univ Maryland, Dept Chem, College Pk, MD 20742 USA. Rowan Univ, Dept Phys, Glassboro, NJ 08028 USA. CUNY Queens Coll, Dept Phys, Flushing, NY 11367 USA. RP Univ Maryland, Dept Phys, Ctr Supercond Res, College Pk, MD 20742 USA. EM msrrao@iitm.ac.in; ogale@squid.umd.edu RI Venkatesan, Thirumalai/E-1667-2013; Cardoso, Claudio/G-1485-2012 NR 19 TC 33 Z9 34 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 3 PY 2006 VL 88 IS 14 AR 142505 DI 10.1063/1.2190909 PG 3 WC Physics, Applied SC Physics GA 030CX UT WOS:000236612000061 ER PT J AU Rodriguez, BJ Jesse, S Meunier, V Kalinin, SV AF Rodriguez, BJ Jesse, S Meunier, V Kalinin, SV TI Scanning frequency mixing microscopy of high-frequency transport behavior at electroactive interfaces SO APPLIED PHYSICS LETTERS LA English DT Article ID IMPEDANCE MICROSCOPY; TUNNELING-MICROSCOPY AB An approach for high-frequency transport imaging, referred to as scanning frequency mixing microscopy (SFMM), is developed. Application of two high-frequency bias signals across an electroactive interface results in a low-frequency component due to interface nonlinearity. The frequency of a mixed signal is chosen within the bandwidth of the optical detector and can be tuned to the cantilever resonances. The SFMM signal is comprised of an intrinsic device contribution and a capacitive mixing contribution, and an approach to distinguish the two is suggested. This technique is illustrated on a model metal-semiconductor interface. The imaging mechanism and surface-tip contrast transfer are discussed. SFMM allows scanning probe microscopy based transport measurements to be extended to higher, ultimately gigahertz, frequency regimes, providing information on voltage derivatives of interface resistance and capacitance, from which device characteristics such as Schottky barrier height, etc., can be estimated. (c) 2006 American Institute of Physics. C1 Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37931 USA. Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37931 USA. Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37931 USA. RP Kalinin, SV (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37931 USA. EM sergei2@ornl.gov RI Meunier, Vincent/F-9391-2010; Kalinin, Sergei/I-9096-2012; Rodriguez, Brian/A-6253-2009; Jesse, Stephen/D-3975-2016 OI Meunier, Vincent/0000-0002-7013-179X; Kalinin, Sergei/0000-0001-5354-6152; Rodriguez, Brian/0000-0001-9419-2717; Jesse, Stephen/0000-0002-1168-8483 NR 12 TC 4 Z9 4 U1 0 U2 6 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 3 PY 2006 VL 88 IS 14 AR 143128 DI 10.1063/1.2192977 PG 3 WC Physics, Applied SC Physics GA 030CX UT WOS:000236612000102 ER PT J AU Sutter, P Ernst, W Choi, YS Sutter, E AF Sutter, P Ernst, W Choi, YS Sutter, E TI Mechanisms of thermally induced dewetting of ultrathin silicon-on-insulator SO APPLIED PHYSICS LETTERS LA English DT Article ID CAPILLARY INSTABILITIES; THIN-FILMS; AGGLOMERATION; ISLANDS; LAYER AB Annealing of ultrathin silicon-on-insulator drives the formation of pinholes in the Si template, which in turn triggers a dewetting of the monocrystalline Si slab that is strongly affected by its crystallographic structure. An initial phase of well-defined square openings in the Si is followed by a hierarchical sequence of more complex branched shapes of the dewetting front. Annealing temperatures of about 800 degrees C, near the onset of significant thermally activated mass transport, drive a slow and controlled evolution that allows us to identify the mechanism underlying the dewetting and explain the spontaneous formation of well-defined Si patterns at submicron dimensions. (c) 2006 American Institute of Physics. C1 Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. Colorado Sch Mines, Dept Phys, Golden, CO 80401 USA. RP Sutter, P (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. EM esutter@bnl.gov NR 15 TC 26 Z9 26 U1 0 U2 6 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD APR 3 PY 2006 VL 88 IS 14 AR 141924 DI 10.1063/1.2186741 PG 3 WC Physics, Applied SC Physics GA 030CX UT WOS:000236612000039 ER PT J AU Andzelm, J Govind, N Maiti, A AF Andzelm, J Govind, N Maiti, A TI Nanotube-based gas sensors - Role of structural defects SO CHEMICAL PHYSICS LETTERS LA English DT Article ID CARBON NANOTUBES; AB-INITIO; NO2; ADSORPTION; MOLECULES; NH3 AB Existing theoretical literature suggests that defect-free, pristine carbon nanotubes (CNTs) interact weakly with many gas molecules like H2O, CO, NH3, H-2, and so on. The case of NH3 is particularly intriguing, because this is in disagreement with experimentally observed changes in electrical conductance of CNTs upon exposure to these gases. In order to explain such discrepancy, we have carried out density functional theory investigations of the role of common atomistic defects in CNT (Stone-Wales, monovacancy, and interstitial) on the chemisorption of NH3. Computed binding energies, charge transfer, dissociation barriers, and vibrational modes are compared with existing experimental results on electrical conductance, thermal desorption and infrared spectroscopy. (c) 2006 Elsevier B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Accelrys Inc, San Diego, CA 92121 USA. RP Maiti, A (reprint author), Lawrence Livermore Natl Lab, 7000 East Ave,L-268, Livermore, CA 94551 USA. EM maiti2@llnl.gov RI Govind, Niranjan/D-1368-2011 NR 25 TC 93 Z9 99 U1 4 U2 22 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0009-2614 J9 CHEM PHYS LETT JI Chem. Phys. Lett. PD APR 3 PY 2006 VL 421 IS 1-3 BP 58 EP 62 DI 10.1016/j.cplett.2005.12.099 PG 5 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 030VG UT WOS:000236662600012 ER PT J AU Nunes, GS Alexiou, ADP Araki, K Formiga, ALB Rocha, RC Toma, HE AF Nunes, GS Alexiou, ADP Araki, K Formiga, ALB Rocha, RC Toma, HE TI Proton-coupled redox chemistry, oxidative reactivity, and electronic characterization of aqua-, hydroxo-, and oxo-triruthenium clusters SO EUROPEAN JOURNAL OF INORGANIC CHEMISTRY LA English DT Article DE ruthenium-acetate clusters; mixed-valence complexes; oxygen-transfer catalysis; proton-coupled electron transfer; Pourbaix diagram; electrocatalysis; spectroelectrochernistry ID RAY CRYSTAL-STRUCTURE; POLYPYRIDYL COMPLEXES; ELECTROCATALYTIC OXIDATION; CATALYTIC-OXIDATION; BENZYL ALCOHOL; RUTHENIUM; SYSTEM; LIGANDS; ALDEHYDES; OSMIUM AB The pH-dependent electronic and electrochemical properties of a series of triangular mu(3)-oxo-centered trinuclear clusters of the type [Ru3O(Ac)(6)(py)(2)(OHx)](n) (Ac = acetate; py = pyridine; x = 0, 1, or 2; where the formal oxidation states on the metal ions range from +II to +IV) have been investigated with emphasis on the elucidation of the successive proton-coupled redox processes spanning the interconvertible aqua- (x = 2), hydroxo- (x = 1), and oxo- (x = 0) forms, from which the complete Pourbaix diagram has been proposed. From the spontaneous slow coupling reaction of the monomeric cluster in its deprotonated (oxo) form at high pH, the p-oxo-bridged cluster dimer (i.e. {(py)(2)(Ac)(6)ORu3}-O-{Ru3O(Ac)6(PY)2}) has been isolated and fully characterized by spectroelectrochemistry as well. A further understanding of the underlying electronic interactions across the various oxidation and protonation states, and the role of such phenomena in the activation of the Ru-O bonding system in oxygen-transfer catalysis, have also been explored. ((c) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006) C1 Univ Sao Paulo, Inst Quim, BR-05513970 Sao Paulo, Brazil. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Rocha, RC (reprint author), Univ Sao Paulo, Inst Quim, CP 26077, BR-05513970 Sao Paulo, Brazil. EM rcrocha@lanl.gov; henetoma@iq.usp.br RI Formiga, Andre/G-9755-2011; Araki, Koiti/H-1086-2012; Institute of Chemistry - USP, Dept. of Chemistry/B-8988-2012; Toma, Henrique Eisi Toma/I-6805-2012 OI Formiga, Andre/0000-0001-6773-8083; Araki, Koiti/0000-0003-3485-4592; Toma, Henrique Eisi Toma/0000-0002-4044-391X NR 35 TC 15 Z9 15 U1 2 U2 16 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1434-1948 J9 EUR J INORG CHEM JI Eur. J. Inorg. Chem. PD APR 3 PY 2006 IS 7 BP 1487 EP 1495 DI 10.1002/ejic.200501089 PG 9 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 032DQ UT WOS:000236754500021 ER PT J AU Fielden, J Sprott, J Long, DL Kogerler, P Cronin, L AF Fielden, J Sprott, J Long, DL Kogerler, P Cronin, L TI Controlling aggregation of copper(II)-based coordination compounds: From mononuclear to dinuclear, tetranuclear, and polymeric copper complexes SO INORGANIC CHEMISTRY LA English DT Article ID CATECHOL OXIDASE; BINUCLEAR COMPLEXES; CRYSTAL-STRUCTURE; LIGANDS; CLUSTERS; CORE; SYSTEMS; CAGES; STATE AB The use of a strategy combining ligand design and changes of reaction conditions has been investigated with the goal of directing the assembly of mononuclear, dinuclear, tetranuclear, and polymeric copper(H) complexes. As a result, closely related copper monomers, alkoxo dimers, and hydroxo cubanes, along with a carbonate-bridged polymeric species, have been synthesized using the rigid, aliphatic amino ligands cis-3,5-diamino-transhydroxycyclohexane (DAHC), cis-3,5-diamino-trans-methoxycyclohexane (DAMC), and the glutaryl-linked derivative glutaric acid bis-(cis-3,5-diaminocyclohexyl) ester (GADACE). The composition of the monomeric complex has been determined by X-ray crystallography as [Cu(DAHC)(2)](ClO4)(2) (1), the two dimers as [{ Cu(DAHC)(OMe)}(2)]-(ClO4)(2)(MeOH)-Me-. (2) and [{Cu(DAMC)(OMe)(ClO4)}(2)] (3), the three Cu4O4 cubanes as [{Cu(DAHC)(OH)}(4)](ClO4)(4)(.) 2.5MeOH (4), [{Cu(DAMC)(OH)}(4)](ClO4)(4)-H2O (5), and [{CU2(OH)(2)(GADACE)}(2)]Cl(4)(.)2MeOH(.)6H2O (6), and an infinite-chain structure as [{Cu(DAHC)(CO3)}(n)] (7). Furthermore, the cubane structures 4 and 5 have been investigated magnetically. Our studies indicate that formation of the monomeric, dimeric, and tetranuclear DAHC and DAMC complexes can be controlled by small changes in reaction conditions and that further preorganization of the ligand moiety by linking the DAHC cores (GADACE) allows more effective direction of the self-assembly of the CU4O4 cubane core. C1 Univ Glasgow, Dept Chem, Glasgow G12 8QQ, Lanark, Scotland. Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Cronin, L (reprint author), Univ Glasgow, Dept Chem, Joseph Black Bldg, Glasgow G12 8QQ, Lanark, Scotland. EM L.Cronin@chem.gla.ac.uk RI Cronin, Leroy/B-7752-2008; Long, Deliang/C-3500-2011; Kogerler, Paul/H-5866-2013 OI Cronin, Leroy/0000-0001-8035-5757; Kogerler, Paul/0000-0001-7831-3953 NR 39 TC 40 Z9 40 U1 0 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD APR 3 PY 2006 VL 45 IS 7 BP 2886 EP 2895 DI 10.1021/ic051647t PG 10 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 028HC UT WOS:000236476700015 PM 16562944 ER PT J AU Li, B Corbett, JD AF Li, B Corbett, JD TI Electronic structures of KNa3In9 and Na2In, two metallic phases with classical closed-shell electronic configurations SO INORGANIC CHEMISTRY LA English DT Article ID ALKALIMETALLE ZU HALBMETALLEN; ZINTL PHASE; DAS VERHALTEN; CLUSTERS; NETWORKS; HAMILTON; CRYSTAL; BINARY; SALT; AU AB The cluster compounds KNa3In9 [K2Na6(In-12)(In)(6)] and Na2In [(Na)(8)(In-4)] which contain In-12 icosahedra interbridged by 4-bonded In atoms and isolated In-4 tetrahedra, respectively, both have classical closed-shell electronic configurations but show metallic transport properties. These contrasts have been studied by means of first-principles density functional methods (LMTO-ASA). Several bands cross the Fermi level in both compounds, consistent with their metallic properties. In KNa3In9, the metal atom framework alone is sufficient to generate a metallic characteristic. The alkali-metal s and indium p orbitals mix considerably in both phases, providing for substantial covalent contributions to their stabilities as well as bands crossing E-f. The participation of Na atoms in the 3D bonding networks is more striking in cation-richer Na2In than in KNa3In9. C1 Iowa State Univ, Ames Lab, DOE, Ames, IA 50011 USA. Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Corbett, JD (reprint author), Iowa State Univ, Ames Lab, DOE, Ames, IA 50011 USA. EM jcorbett@iastate.edu NR 32 TC 3 Z9 3 U1 0 U2 3 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 J9 INORG CHEM JI Inorg. Chem. PD APR 3 PY 2006 VL 45 IS 7 BP 2960 EP 2964 DI 10.1021/ic051981p PG 5 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 028HC UT WOS:000236476700022 PM 16562951 ER PT J AU Hatta, Y AF Hatta, Y TI On the Wess-Zumino term in high energy QCD SO NUCLEAR PHYSICS A LA English DT Article ID COLOR GLASS CONDENSATE; GLUON DISTRIBUTION-FUNCTIONS; DEEP-INELASTIC SCATTERING; SMALL-X PHYSICS; RENORMALIZATION-GROUP; BFKL POMERON; LARGE NUCLEI; N-C; EVOLUTION; EQUATION AB Recently, Kovner and Lublinsky proposed new small-x QCD evolution equations valid when the gluon density inside the target is low. The key element of their construction is the Wess-Zumino term which ensures the non-commutativity of valence charges. In this paper we clarify the origin and significance of this term by showing that it can be naturally incorporated in the effective theory of Color Glass Condensate. We also reexamine the renormalization group description in the high density (JIMWLK) regime. (c) 2006 Elsevier B.V. All rights reserved. C1 Brookhaven Natl Lab, RIKEN, BNL Res Ctr, Upton, NY 11973 USA. RP Hatta, Y (reprint author), Brookhaven Natl Lab, RIKEN, BNL Res Ctr, Upton, NY 11973 USA. EM hatta@bnl.gov NR 77 TC 6 Z9 6 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9474 EI 1873-1554 J9 NUCL PHYS A JI Nucl. Phys. A PD APR 3 PY 2006 VL 768 IS 3-4 BP 222 EP 240 DI 10.1016/j.nuclphysa.2006.01.012 PG 19 WC Physics, Nuclear SC Physics GA 025CD UT WOS:000236242000005 ER PT J AU Marquet, C Royon, C AF Marquet, C Royon, C TI Small-x QCD effects in forward-jet and Mueller-Navelet jet production SO NUCLEAR PHYSICS B LA English DT Article ID COLOR GLASS CONDENSATE; GLUON DISTRIBUTION-FUNCTIONS; DEEP-INELASTIC SCATTERING; ONIUM-ONIUM SCATTERING; TOTAL CROSS-SECTION; HIGH-ENERGY; BFKL-POMERON; DIPOLE PICTURE; TRANSVERSE-MOMENTUM; PERTURBATION-THEORY AB We investigate small-x QCD effects in forward-jet production in deep inelastic scattering in the kinematic regime where the virtuality of the photon and the transverse momentum of the jet are two hard scales of about the same magnitude. We show that the data from HERA published by the H1 and ZEUS Collaborations are well described by leading-logarithmic BFKL predictions. Parametrizations containing saturation effects expected to be relevant at higher energies also compare well to the present data. We extend our analysis to Mueller-Navelet jets at the LHC and discuss to what extent this observable could test these small-x effects and help distinguishing between the different descriptions. (c) 2006 Elsevier B.V. All rights reserved. C1 CEA Saclay, Serv Phys Theor, F-91191 Gif Sur Yvette, France. CEA Saclay, DAPNIA, Serv Phys Particules, F-91191 Gif Sur Yvette, France. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Marquet, C (reprint author), CEA Saclay, Serv Phys Theor, F-91191 Gif Sur Yvette, France. EM marquet@spht.saclay.cea.fr; royon@hep.saclay.cea.fr NR 80 TC 18 Z9 18 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0550-3213 J9 NUCL PHYS B JI Nucl. Phys. B PD APR 3 PY 2006 VL 739 IS 1-2 BP 131 EP 155 DI 10.1016/j.nuclp[hysb.2006.01.024 PG 25 WC Physics, Particles & Fields SC Physics GA 023YH UT WOS:000236161600006 ER PT J AU Nyberg, M Fohlisch, A Triguero, L Bassan, A Nilsson, A Pettersson, LGM AF Nyberg, M Fohlisch, A Triguero, L Bassan, A Nilsson, A Pettersson, LGM TI Bonding in metal-carbonyls: A comparison with experiment and calculations on adsorbed CO SO JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM LA English DT Article DE metal-carbonyls; adsorbed CO; metal ID RAY-EMISSION SPECTROSCOPY; DENSITY-FUNCTIONAL THEORY; SURFACE CHEMICAL-BOND; TRANSITION-METAL; ELECTRONIC-STRUCTURE; AB-INITIO; COMPLEXES; MOLECULES; MONOXIDE; SPECTRA AB The general aspects of CO bonding in carbonyls and on metal surfaces are discussed in terms of a molecular orbital description, based on calculations and direct experimental measurements. In particular, the excellent agreement between experiment and theory for CO adsorbed on Ni(100) is the starting point to derive in the same theoretical approach the orbital-based electronic structure of the carbonyls Ni(CO)4, Fe(CO)5, Cr(CO)(6) and CO coordinated to the heme group. A frontier orbital interaction scheme involving only the 2 pi* and the 5 sigma orbitals is shown to be inadequate for the description of the electronic structure; all orbitals change due to the interaction. Instead, we demonstrate how the formation of an allylic configuration in the pi-system, involving both the 1 pi and 2 pi* orbitals, gives a more complete description of the pi electronic structure. The rearrangement of the sigma orbitals involves mainly mixing of occupied CO and metal orbitals resulting in Pauli repulsion. The latter is minimized by polarization of charge away from the CO-Me bond. The bonding picture for CO in organometallic systems is very similar to the surface adsorption case; the main idea of repulsive sigma and bonding pi interactions seems generally valid when CO interacts with metals. (c) 2005 Elsevier B.V. All rights reserved. C1 Stockholm Univ, AlbaNova Univ Ctr, FYSIKUM, S-10691 Stockholm, Sweden. Univ Hamburg, Inst Expt Phys, D-22761 Hamburg, Germany. Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. RP Pettersson, LGM (reprint author), Stockholm Univ, AlbaNova Univ Ctr, FYSIKUM, S-10691 Stockholm, Sweden. EM lgm@physto.se RI Nilsson, Anders/E-1943-2011; Pettersson, Lars/F-8428-2011; Pettersson, Lars/J-4925-2013; OI Nilsson, Anders/0000-0003-1968-8696; Pettersson, Lars/0000-0003-1133-9934; Alexander, Fohlisch/0000-0003-4126-8233 NR 49 TC 13 Z9 13 U1 1 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0166-1280 J9 J MOL STRUC-THEOCHEM JI Theochem-J. Mol. Struct. PD APR 2 PY 2006 VL 762 IS 1-3 BP 123 EP 132 DI 10.1016/j.theochem.2005.10.022 PG 10 WC Chemistry, Physical SC Chemistry GA 055SF UT WOS:000238470000014 ER PT J AU Goldberger, J Fan, R Yang, PD AF Goldberger, J Fan, R Yang, PD TI Inorganic nanotubes: A novel platform for nanofluidics SO ACCOUNTS OF CHEMICAL RESEARCH LA English DT Review ID SOLID-STATE NANOPORE; ELECTRICAL-TRANSPORT; REMOVABLE TEMPLATES; MOLECULAR-TRANSPORT; DNA TRANSLOCATION; ION-TRANSPORT; NANOWIRES; MEMBRANES; CARBON; GAN AB Templating approaches are being developed for the synthesis of inorganic nanotubes, a novel platform for nanofluidics. Single crystalline semiconductor GaN nanotubes have been synthesized using an epitaxial casting method. The partial thermal oxidation of silicon nanowires leads to the synthesis of silica nanotubes. The dimension of these nanotubes can be precisely controlled during the templating process. These inorganic nanotubes can be integrated into metal-oxide solution field effect transistors (MO-SolFETs), which exhibit rapid field effect modulation of ionic conductance. These nanofluidic devices have been further demonstrated to be useful for single-molecule sensing, as single DNA molecules can be readily detected either by charge effect or by geometry effect. These inorganic nanotubes will have great implications in subfemtoliter analytical technology and large-scale nanofluidic integration. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Chem, Div Mat Sci, Berkeley, CA 94720 USA. RP Yang, PD (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Chem, Div Mat Sci, Berkeley, CA 94720 USA. EM p_yang@berkeley.edu RI Goldberger, Joshua/F-5484-2011; Fan, Rong/B-1613-2014; Goldberger, Joshua/N-8963-2016 OI Goldberger, Joshua/0000-0003-4284-604X; Goldberger, Joshua/0000-0003-4284-604X NR 50 TC 229 Z9 233 U1 16 U2 117 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0001-4842 J9 ACCOUNTS CHEM RES JI Accounts Chem. Res. PD APR PY 2006 VL 39 IS 4 BP 239 EP 248 DI 10.1021/ar040274h PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA 036KB UT WOS:000237068900002 PM 16618091 ER PT J AU Nutaro, J AF Nutaro, James TI A discrete event method for wave simulation SO ACM TRANSACTIONS ON MODELING AND COMPUTER SIMULATION LA English DT Article DE algorithms; theory; DEVS; digital waveguide networks; wave propagation ID SYSTEMS; SPECIFICATION AB This article describes a discrete event interpretation of the finite difference time domain (FDTD) and digital wave guide network (DWN) wave simulation schemes. The discrete event method is formalized using the discrete event system specification (DEVS). The scheme is shown to have errors that are proportional to the resolution of the spatial grid. A numerical example demonstrates the relative efficiency of the scheme with respect to FDTD and DWN schemes. The potential for the discrete event scheme to reduce numerical dispersion and attenuation errors is discussed. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Nutaro, J (reprint author), Oak Ridge Natl Lab, POB 2008,MS6085, Oak Ridge, TN 37831 USA. EM nutarojj@ornl.gov OI Nutaro, James/0000-0001-7360-2836 NR 19 TC 10 Z9 10 U1 0 U2 0 PU ASSOC COMPUTING MACHINERY PI NEW YORK PA 2 PENN PLAZA, STE 701, NEW YORK, NY 10121-0701 USA SN 1049-3301 EI 1558-1195 J9 ACM T MODEL COMPUT S JI ACM Trans. Model. Comput. Simul. PD APR PY 2006 VL 16 IS 2 BP 174 EP 195 DI 10.1145/1138464.1138468 PG 22 WC Computer Science, Interdisciplinary Applications; Mathematics, Applied SC Computer Science; Mathematics GA 117AN UT WOS:000242845000004 ER PT J AU Moshopoulou, EG Ibberson, RM Sarrao, JL Thompson, JD Fisk, Z AF Moshopoulou, EG Ibberson, RM Sarrao, JL Thompson, JD Fisk, Z TI Structure of Ce2RhIn8: an example of complementary use of high-resolution neutron powder diffraction and reciprocal-space mapping to study complex materials SO ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS LA English DT Article ID FERMI-LIQUID BEHAVIOR; GRIFFITHS PHASE; KONDO DISORDER; CRYSTAL-GROWTH; STATION 16.3; HEAVY; PRESSURE; CERHIN5; SRS; CE AB The room-temperature crystal structure of the heavy fermion antiferromagnet Ce2RhIn8, dicerium rhodium octaindide, has been studied by a combination of high-resolution synchrotron X-ray reciprocal-space mapping of single crystals and high-resolution time-of-flight neutron powder diffraction. The structure is disordered, exhibiting a complex interplay of non-periodic, partially correlated planar defects, coexistence and segregation of polytypic phases (induced by periodic planar 'defects'), mosaicity (i.e. domain misalignment) and non-uniform strain. These effects evolve as a function of temperature in a complicated way, but they remain down to low temperatures. The room-temperature diffraction data are best represented by a complex mixture of two polytypic phases, which are affected by non-periodic, partially correlated planar defects, differ slightly in their tetragonal structures, and exhibit different mosaicities and strain values. Therefore, Ce2RhIn8 approaches the paracrystalline state, rather than the classic crystalline state and thus several of the concepts of conventional single-crystal crystallography are inapplicable. The structural results are discussed in the context of the role of disorder in the heavy-fermion state and in the interplay between superconductivity and magnetism. C1 Natl Ctr Sci Res Demokritos, Inst Mat Sci, Aghia Paraskevi 15310, Greece. Rutherford Appleton Lab, ISIS Facil, CCLRC, Didcot OX11 0QX, Oxon, England. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Natl Ctr Sci Res Demokritos, Inst Mat Sci, Aghia Paraskevi 15310, Greece. EM evagelia@ims.demokritos.gr RI Ibberson, Richard/P-8397-2015 OI Ibberson, Richard/0000-0003-0007-706X NR 67 TC 14 Z9 14 U1 0 U2 7 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 2052-5206 J9 ACTA CRYSTALLOGR B JI Acta Crystallogr. Sect. B-Struct. Sci.Cryst. Eng. Mat. PD APR PY 2006 VL 62 BP 173 EP 189 DI 10.1107/S0108768106003314 PN 2 PG 17 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 021WB UT WOS:000236015500001 PM 16552150 ER PT J AU Agarwal, R Bonanno, JB Burley, SK Swaminathan, S AF Agarwal, R Bonanno, JB Burley, SK Swaminathan, S TI Structure determination of an FMN reductase from Pseudomonas aeruginosa PA01 using sulfur anomalous signal SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article ID SOFT X-RAYS; MACROMOLECULAR CRYSTALLOGRAPHY; NAD(P)H-QUINONE REDUCTASE; DIFFRACTION DATA; PROTEIN; RESOLUTION; INHIBITOR; RADIATION; LOCATION; NAD(P)H AB The availability of high-intensity synchrotron facilities, technological advances in data-collection techniques and improved data-reduction and crystallographic software have ushered in a new era in high-throughput macromolecular crystallography. Here, the de novo automated crystal structure determination at 1.28 angstrom resolution of an NAD( P) H-dependent FMN reductase flavoprotein from Pseudomonas aeruginosa PA01-derived protein Q9I4D4 using the anomalous signal from an unusually small number of S atoms is reported. Although this protein lacks the flavodoxin key fingerprint motif [(T/S) XTGXT], it has been confirmed to bind flavin mononucleotide and the binding site was identified via X-ray crystallography. This protein contains a novel flavin mononucleotide-binding site GSLRSGSYN, which has not been previously reported. Detailed statistics pertaining to sulfur phasing and other factors contributing to structure determination are discussed. Structural comparisons of the apoenzyme and the protein complexed with flavin mononucleotide show conformational changes on cofactor binding. NADPH-dependent activity has been confirmed with biochemical assays. C1 Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. SGX Pharmaceut Inc, San Diego, CA 92121 USA. RP Swaminathan, S (reprint author), Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. EM swami@bnl.gov FU NCRR NIH HHS [P41 RR012408]; NIGMS NIH HHS [GM62529, P50 GM062529] NR 41 TC 32 Z9 33 U1 1 U2 1 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0907-4449 J9 ACTA CRYSTALLOGR D JI Acta Crystallogr. Sect. D-Biol. Crystallogr. PD APR PY 2006 VL 62 BP 383 EP 391 DI 10.1107/S0907444906001600 PN 4 PG 9 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 023RA UT WOS:000236142700005 PM 16552139 ER PT J AU Bobev, S Bauer, ED Sarrao, JL AF Bobev, S Bauer, ED Sarrao, JL TI Copper deficiency in UCu5-xSn [x=0.37 (1)] SO ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE LA English DT Article AB The ternary intermetallic title compound, known hitherto as UCu5Sn (uranium pentacopper stannide), crystallizes with the hexagonal CeNi5Sn structure type, and it has been presumed to be a fully stoichiometric phase, devoid of any disorder. However, the present single-crystal X-ray diffraction studies at 120 K, carried out with crystals grown from an Sn flux, suggest the existence of a previously unnoticed phase width of the title compound UCu5-xSn. All the atoms occupy special positions: U ((6) over bar m2, (3) over barm.), Sn (3m.) and Cu (.m., 3m., and two positions with (6) over bar m2). C1 Univ Delaware, Dept Chem & Biochem, Newark, DE 19716 USA. Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Bobev, S (reprint author), Univ Delaware, Dept Chem & Biochem, Newark, DE 19716 USA. EM sbobev@chem.udel.edu RI Bauer, Eric/D-7212-2011; OI Bauer, Eric/0000-0003-0017-1937 NR 9 TC 0 Z9 0 U1 1 U2 7 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 1600-5368 J9 ACTA CRYSTALLOGR E JI Acta Crystallogr. Sect. E.-Struct Rep. Online PD APR PY 2006 VL 62 BP I106 EP I108 DI 10.1107/S1600536806011159 PN 4 PG 3 WC Crystallography SC Crystallography GA 028EQ UT WOS:000236470100011 ER PT J AU Bobev, S Bauer, ED Sarrao, JL AF Bobev, S Bauer, ED Sarrao, JL TI Uranium and aluminium order-disorder in U1-xPt2Al7-6x [x=0.33 (1)] SO ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE LA English DT Article ID DIANTIMONIDE AB The new ternary title compound, uranium diplatinum penta-aluminium, has been synthesized from a reaction of the corresponding elements at 1273 K. It crystallizes in the rare hexagonal Ce2Pt6Ga15 structure type, where one-third of the U atoms are randomly replaced by triangles of Al atoms. Possible ordered models in hexagonal and ortho-hexagonal supercells were tried without success. All the atoms occupy special positions: U ((6) over bar m2), Pt (3m.), and Al (mm2, 3m. and 3m.). C1 Univ Delaware, Dept Chem & Biochem, Newark, DE 19716 USA. Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Bobev, S (reprint author), Univ Delaware, Dept Chem & Biochem, Newark, DE 19716 USA. EM sbobev@chem.udel.edu RI Bauer, Eric/D-7212-2011; OI Bauer, Eric/0000-0003-0017-1937 NR 18 TC 0 Z9 0 U1 1 U2 4 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 1600-5368 J9 ACTA CRYSTALLOGR E JI Acta Crystallogr. Sect. E.-Struct Rep. Online PD APR PY 2006 VL 62 BP I77 EP I79 DI 10.1107/S1600536806007288 PN 4 PG 3 WC Crystallography SC Crystallography GA 028EQ UT WOS:000236470100001 ER PT J AU Grossie, DA Feld, WA Scanlon, L Sandi, G Wawrzak, Z AF Grossie, DA Feld, WA Scanlon, L Sandi, G Wawrzak, Z TI Di-mu-acetone-kappa O-2 : O-bis[(acetone-kappa O)-aqualithium(I)] di-mu-acetone-kappa O-2 : O-bis-[diaqualithium(I)] tetrakis {[phthalocyan-inato(2-)-kappa(4) N, N ', N '', N ''']lithiate(I)] SO ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE LA English DT Article AB The crystals of the title compound, [Li-2(C3H6O)(4)(H2O)(2)][Li-2(C3H6O)(2)(H2O)(4)] [Li(C32H16N8)](4), were obtained by a recrystallization of dilithium phthalocyanine from an acetone/water/toluene solution. The title structure consists of two independent Li-phthalocyanine complexes along with acetone-bridged lithium dimers. The lithium dimers are located on inversion centers. The crystal structure is stabilized by a network of hydrogen bonds. C1 Wright State Univ, Dept Chem, Dayton, OH 45435 USA. USAF, Res Lab, Electrochem & Thermal Sci Branch, PRPS,WPAFB, Wright Patterson AFB, OH 45433 USA. Argonne Natl Lab, Div Chem, Argonne, IL USA. Argonne Natl Lab, DuPont NW Dow Collaborat Access Team, Argonne, IL 40439 USA. RP Grossie, DA (reprint author), Wright State Univ, Dept Chem, Dayton, OH 45435 USA. EM david.grossie@wright.edu NR 7 TC 9 Z9 9 U1 0 U2 2 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 1600-5368 J9 ACTA CRYSTALLOGR E JI Acta Crystallogr. Sect. E.-Struct Rep. Online PD APR PY 2006 VL 62 BP M827 EP M829 DI 10.1107/S1600536806008488 PN 4 PG 3 WC Crystallography SC Crystallography GA 028EQ UT WOS:000236470100073 ER PT J AU Zhang, RG Skarina, T Evdokimova, E Edwards, A Savchenko, A Laskowski, R Cuff, ME Joachimiak, A AF Zhang, RG Skarina, T Evdokimova, E Edwards, A Savchenko, A Laskowski, R Cuff, ME Joachimiak, A TI Structure of SAICAR synthase from Thermotoga maritima at 2.2 angstrom reveals an unusual covalent dimer SO ACTA CRYSTALLOGRAPHICA SECTION F-STRUCTURAL BIOLOGY AND CRYSTALLIZATION COMMUNICATIONS LA English DT Article AB As a part of a structural genomics program, the 2.2 angstrom resolution crystal structure of the PurC gene product from Thermotoga maritima has been solved. This 26.2 kDa protein belongs to the phophoribosylaminoimidazole-succinocarboxamide or SAICAR synthase family of enzymes, the members of which are involved in de novo purine biosynthesis. SAICAR synthase can be divided into three subdomains: two alpha+beta regions exhibiting structural homology with ATP-binding proteins and a carboxy-terminal subdomain of two alpha-helices. The asymmetric unit contains two copies of the protein which are covalently linked by a disulfide bond between Cys126(A) and Cys126(B). This 230-amino-acid protein exhibits high structural homology with SAICAR synthase from baker's yeast. The protein structure is described and compared with that of the ATP-SAICAR synthase complex from yeast. C1 Argonne Natl Lab, Biosci Div, Midwest Ctr Struct Genom, Struct Biol Ctr, Argonne, IL 60439 USA. Univ Toronto, Univ Hlth Network, Ontario Ctr Struct Proteom, Toronto, ON M5G 1L7, Canada. Univ Toronto, Banting & Best Dept Med Res, Toronto, ON M5G 1L6, Canada. Univ London Birkbeck Coll, Dept Crystallog, London WC1E 7HX, England. RP Joachimiak, A (reprint author), Argonne Natl Lab, Biosci Div, Midwest Ctr Struct Genom, Struct Biol Ctr, 9700 S Cass Ave, Argonne, IL 60439 USA. EM andrzejj@anl.gov FU NIGMS NIH HHS [GM62414-01, P50 GM062414, P50 GM062414-01] NR 12 TC 12 Z9 12 U1 0 U2 1 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 1744-3091 J9 ACTA CRYSTALLOGR F JI Acta Crystallogr. F-Struct. Biol. Cryst. Commun. PD APR PY 2006 VL 62 BP 335 EP 339 DI 10.1107/S1744309106009651 PN 4 PG 5 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 028EP UT WOS:000236470000006 PM 16582479 ER PT J AU Rahaman, MN Gross, JR Dutton, RE Wang, H AF Rahaman, MN Gross, JR Dutton, RE Wang, H TI Phase stability, sintering, and thermal conductivity of plasma-sprayed ZrO2-Gd2O3 compositions for potential thermal barrier coating applications SO ACTA MATERIALIA LA English DT Article DE thermal barrier coating; plasma spraying; phase transformation; sintering; thermal conductivity ID ZIRCONIA; YTTRIA; TRANSFORMATION; BEHAVIOR AB Structural changes resulting from sintering and phase transformation limit the high -temperature durability of ZrO2-based thermal barrier coatings (TBCs). The objective of this study was to investigate the use of Gd2O3 as a stabilizer for ZrO2-based TBC compositions. The influence of Gd2O3 concentration (4-20 mol.%) on the sintering and phase stability of plasma-sprayed ZrO2 powders was investigated and the data were compared with those for the state-of-the-art Y2O3-stabilized ZrO2. At an equivalent concentration (4 mol.%), Gd2O3 -stabilized ZrO2 sintered more slowly but had a lower resistance to destabilization of the metastable tetragonal (t') phase, when compared to Y2O3-stabilized ZrO2. The thermal conductivity of Gd2O3-stabilized ZrO2 was lower than that Of Y2O3-stabilized ZrO2. Factors influencing the sintering and phase transformation of plasma-sprayed Gd2O3-stabilized ZrO2 are discussed. (c) 2005 Acta Materialia, Inc. Published by Elsevier Ltd. All rights reserved. C1 Univ Missouri, Dept Mat Sci & Engn, Rolla, MO 65409 USA. USAF, Res Lab, Mat & Mfg Directorate, Wright Patterson AFB, OH 45433 USA. Oak Ridge Natl Lab, High Temp Mat Lab, Oak Ridge, TN 37831 USA. RP Rahaman, MN (reprint author), Univ Missouri, Dept Mat Sci & Engn, 223 McNutt Hall, Rolla, MO 65409 USA. EM rahaman@umr.edu RI Wang, Hsin/A-1942-2013 OI Wang, Hsin/0000-0003-2426-9867 NR 41 TC 63 Z9 67 U1 2 U2 27 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD APR PY 2006 VL 54 IS 6 BP 1615 EP 1621 DI 10.1016/j.actamat.2005.11.033 PG 7 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 027QH UT WOS:000236429700018 ER PT J AU Kovarik, L Miller, MK Court, SA Mills, MJ AF Kovarik, L Miller, MK Court, SA Mills, MJ TI Origin of the modified orientation relationship for S(S '')-phase in Al-Mg-Cu alloys SO ACTA MATERIALIA LA English DT Article DE aluminum alloys; S(S '')-phase; high-resolution electron microscopy; atom probe tomography; interface structure ID MAGNESIUM ALLOY; PRECIPITATION; TRANSITION; MORPHOLOGY; SIMULATION AB The formation of S-phase with a modified orientation relationship (OR) has been previously observed in several Al-Cu-Mg alloys. In this paper, high-resolution transmission electron microscopy and Z-contrast imaging have been used to study the origin of the modified OR in an alloy with low Cu/Mg ratio and small Si addition. Based on the observations, and supported by ab initio simulations, the formation is governed by coherency at the (0 2 1)(S)//(0 1 4)(AI) S-phase/matrix interface, which is shown to coexist with the more commonly reported (0 0 1)(S)//(0 2 1)(AI) interface. This new (0 2 1)(S)//(0 1 4)(AI) S-phase/matrix interface explanation is compared with previously published explanations based on the invariant line concept and establishment of a different S-phase/matrix interface. Energy dispersive X-ray spectroscopy and atom probe tomography indicate that the S-phase is slightly enriched in Si. The role of Si as well as the overall alloy composition is discussed. Because of the similarities between our results and the early work of Bagaryatsky, the S"-phase notation is adopted for this early-forming, strained version of the S-phase. (c) 2006 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Ohio State Univ, Dept Mat Sci & Engn, Columbus, OH 43201 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Novelis Technol AG, CH-8212 Neuhausen, Switzerland. RP Ohio State Univ, Dept Mat Sci & Engn, 2041 Coll Rd,Watts Hall 477, Columbus, OH 43201 USA. EM kovarik.8@osu.edu RI Kovarik, Libor/L-7139-2016 NR 28 TC 41 Z9 44 U1 3 U2 18 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 EI 1873-2453 J9 ACTA MATER JI Acta Mater. PD APR PY 2006 VL 54 IS 7 BP 1731 EP 1740 DI 10.1016/j.actamat.2005.11.045 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 034RQ UT WOS:000236948700003 ER PT J AU Schroeder, V Ritchie, RO AF Schroeder, V Ritchie, RO TI Stress-corrosion fatigue-crack growth in a Zr-based bulk amorphous metal SO ACTA MATERIALIA LA English DT Article DE bulk metallic glass; amorphous metal; fatigue; stress corrosion; crack growth ID PROPAGATION BEHAVIOR; ALLOYS; FRACTURE; GLASSES; MECHANISMS; MORPHOLOGY; CHLORIDE AB Electrochemical and mechanical experiments were conducted to analyze the environmentally influenced cracking behavior of a bulk amorphous metal, Zr41.2Ti13.8Cu12.5Ni10Be22.5. This study was motivated by a scientific interest in mechanisms of fatigue-crack propagation in an amorphous metal, and by a practical interest in the use of this amorphous metal in applications that take advantage of its unique properties, including high specific strength, large elastic strains, and low damping. The objective of the work was to determine the rate and mechanisms of subcritical crack growth in this metallic glass in an aggressive environment. Specifically, fatigue-crack propagation behavior was investigated at a range of stress intensities in air and aqueous salt solutions by examining the effects of loading cycle, stress-intensity range, solution concentration, anion identity, solution deaeration, and bulk electrochemical potential. Results indicate that crack growth in aqueous solution in this alloy is driven by a stress-assisted anodic reaction at the crack tip. Rate-determining steps for Such behavior are reasoned to be an electrochemical, stress-dependent reaction at near-threshold levels, and mass transport at higher (steady-state) growth rates. (c) 2006 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Ritchie, RO (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM roritchie@lbl.gov RI Ritchie, Robert/A-8066-2008 OI Ritchie, Robert/0000-0002-0501-6998 NR 34 TC 35 Z9 35 U1 2 U2 28 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD APR PY 2006 VL 54 IS 7 BP 1785 EP 1794 DI 10.1016/j.actamat.2005.12.006 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 034RQ UT WOS:000236948700009 ER PT J AU Hirth, JP Mitchell, JN Schwartz, DS Mitchell, TE AF Hirth, JP Mitchell, JN Schwartz, DS Mitchell, TE TI On the fcc -> monoclinic martensite transformation in a Pu-1.7 at.% Ga alloy SO ACTA MATERIALIA LA English DT Article DE plutonium; crystal structure; martensitic phase transformations; interface defects; dislocation boundaries ID PHASE-TRANSFORMATIONS; PLUTONIUM ALLOYS; CRYSTALLOGRAPHY; DEFECTS; DISCONNECTIONS; DISLOCATIONS; DELTA->ALPHA; INTERFACES; STABILITY; STEPS AB The face-centered cubic delta -> monoclinic alpha' martensite transformation in a Pu-1.7 at.% Ga alloy is analyzed in terms of the defect-based topological model. Disconnections and terrace planes for the transformation are deduced. The predicted habit plane is in good agreement with experimental results. Observed twinning is associated directly with the transformation strain. The lattice invariant deformation is connected with slip in the alpha' plates. Implications for hysteresis ill the transformation as observed by dilatometry and calorimetry are discussed. (c) 2006 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Los Alamos Natl Lab, Struct Property Relat Grp, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Nucl Mat Sci Grp, Los Alamos, NM 87545 USA. RP Mitchell, TE (reprint author), Los Alamos Natl Lab, Struct Property Relat Grp, MST 8,Mail Stop G755, Los Alamos, NM 87545 USA. EM temitchell@lanl.gov RI Mitchell, Jeremy/E-2875-2010 OI Mitchell, Jeremy/0000-0001-7109-3505 NR 26 TC 21 Z9 22 U1 3 U2 13 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD APR PY 2006 VL 54 IS 7 BP 1917 EP 1925 DI 10.1016/j.actamat.2005.12.030 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 034RQ UT WOS:000236948700022 ER PT J AU Talin, AA Marquis, EA Goods, SH Kelly, JJ Miller, MK AF Talin, AA Marquis, EA Goods, SH Kelly, JJ Miller, MK TI Thermal stability of Ni-Mn electrodeposits SO ACTA MATERIALIA LA English DT Article DE Ni-Mn; electrodeposition; thermal stability; strength ID NI-3.6 AT.PERCENT P; MECHANICAL-PROPERTIES; MICROSYSTEM APPLICATIONS; NANOCRYSTALLINE NICKEL; GRAIN-BOUNDARIES; SULFAMATE BATH; ALLOY; SEGREGATION; DIFFUSION; MANGANESE AB The effect of Mn additions on the structural stability of electrodeposited Ni is investigated by comparing the microstructure evolution of Ni and Ni-Mn specimens with similar crystallographic initial textures. As deposited, Ni-Mn electrodeposits have a smaller crystallite size and substantially higher yield strength than Ni deposits, in agreement with the Hall-Petch relationship. Moreover, dilute Ni-Mn electrodeposits exhibit a thermal stability that significantly exceeds that of pure Ni. Indeed, Ni-Mn retains its texture, fine-grain microstructure, and strength above 500 degrees C (for 1 h anneal), and does not recrystallize up to 800 degrees C. In contrast, Pure Ni with larger average grain size and similar preferred orientation shows abnormal grain growth at 300 degrees C and recrystallization at 600 degrees C. This Study suggests two distinct temperature regimes. Below 600 degrees C, grain boundary segregation appears as a plausible mechanism for the thermal stability of Ni-Mn electrodeposits, whereas grain boundary pinning by precipitation contributes to the improved microstructural stability of Ni-Mn above 600 degrees C. (c) 2006 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Sandia Natl Labs, Livermore, CA 94550 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Talin, AA (reprint author), Sandia Natl Labs, 7011 East Ave,MS 9401, Livermore, CA 94550 USA. EM aatalin@sandia.gov RI Marquis, Emmanuelle/O-5647-2014 OI Marquis, Emmanuelle/0000-0002-6476-2835 NR 45 TC 30 Z9 32 U1 2 U2 22 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD APR PY 2006 VL 54 IS 7 BP 1935 EP 1947 DI 10.1016/j.actamat.2005.12.027 PG 13 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 034RQ UT WOS:000236948700024 ER PT J AU Gronberg, J AF Gronberg, J TI Photon collider technology summary SO ACTA PHYSICA POLONICA B LA English DT Article; Proceedings Paper CT International Workshop on High Energy Photon Linear Colliders CY SEP 05-08, 2005 CL Kazimierz, POLAND SP Warsaw Univ, Fac Phys, Andrzej Soltan Inst Nucl Studies, DESY Zeuthen, Polish Acad Arts & Sci, Polish Acad Sci AB The photon collider option is a major addition to the physics scope of the International Linear Collider. In the coming years there will need to be a development and demonstration of the laser systems required as well as a plan for the accelerator layout needed to accommodate the photon collider option. The outstanding technical issues for the photon collider are summarized in this note. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Gronberg, J (reprint author), Lawrence Livermore Natl Lab, L-050,7000 E Ave, Livermore, CA 94550 USA. NR 7 TC 1 Z9 1 U1 0 U2 1 PU ACTA PHYSICA POLONICA B, JAGELLONIAN UNIV, INST PHYSICS PI KRAKOW PA REYMONTA 4, 30-059 KRAKOW, POLAND SN 0587-4254 J9 ACTA PHYS POL B JI Acta Phys. Pol. B PD APR PY 2006 VL 37 IS 4 BP 1321 EP 1325 PG 5 WC Physics, Multidisciplinary SC Physics GA 053OB UT WOS:000238313400029 ER PT J AU Prochazka, V Stepankova, H Stepanek, J Snezhko, A Chlan, V Kouril, K AF Prochazka, V Stepankova, H Stepanek, J Snezhko, A Chlan, V Kouril, K TI Exchange interactions in barium hexaferrite SO ACTA PHYSICA SLOVACA LA English DT Article; Proceedings Paper CT 15th Conference of Czech and Slovak Physicists CY SEP 05-08, 2005 CL Kosice, SLOVAKIA ID SUBLATTICE MAGNETIZATIONS; MAGNETIC-PROPERTIES; BAFE12O19; FERRITE AB Temperature dependences of the hyperfine magnetic fields at Fe-57 nuclei in five magnetic sublattices of BaFe12O19 hexagonal ferrite were analyzed to obtain parameters characterizing the local exchange interactions. We report theoretical analysis of the temperature dependences of magnetization carried out in the framework of various cluster models based on mean field approaches including the Bethe-Peierls-Weiss approximation. Exchange integrals were extracted from the experimental data reported earlier by G. Albanese et al. (1974) and P. Novak et al. (1989). C1 Charles Univ, Fac Math & Phys, CR-18000 Prague 8, Czech Republic. Argonne Natl Lab, Argonne, IL 60439 USA. RP Prochazka, V (reprint author), Charles Univ, Fac Math & Phys, V Holesovickach 2, CR-18000 Prague 8, Czech Republic. EM helena.stepankova@mff.cuni.cz RI Stepanek, Josef/B-2309-2009; Chlan, Vojtech/D-4868-2017 OI Chlan, Vojtech/0000-0001-6963-9273 NR 11 TC 3 Z9 3 U1 0 U2 2 PU SLOVAK ACAD SCIENCES INST PHYSICS PI BRATISLAVA PA DUBRAVSKA CESTA 9, 842 28 BRATISLAVA, SLOVAKIA SN 0323-0465 EI 1336-040X J9 ACTA PHYS SLOVACA JI Acta Phys. Slovaca PD APR PY 2006 VL 56 IS 2 BP 165 EP 168 PG 4 WC Physics, Multidisciplinary SC Physics GA 025FW UT WOS:000236251700034 ER PT J AU Sugama, T AF Sugama, T TI Citric acid as a set retarder for calcium aluminate phosphate cements SO ADVANCES IN CEMENT RESEARCH LA English DT Article ID THERMAL-ANALYSIS; SPECTROSCOPY; KINETICS AB Citric acid added as set retarder significantly contributed to enhancing the setting temperature and to extending the thickening time of a calcium aluminate phosphate (CaP) geothermal cement slurry consisting of calcium aluminate cement (CAC) as the base reactant and sodium polyphosphate (NaP) solution as the acid reactant. The set-retarding activity of citric acid was due to the uptake of Ca2+ ions from the CAC by carboxylic acid groups within the citric acid. This uptake led to the precipitation of a Ca-complexed carboxylate compound as a set-retarding barrier layer on the CAC grains' surfaces. However this barrier layer was vulnerable to disintegration by the attack of free Ca2+ ions from CAC, and also to degradation at elevated temperature, thereby promoting the generation of exothermic energy from acid-base reactions between the CAC and NaP after the barrier was broken. The exothermic reaction energy that was promoted in this way minimised the loss in strength of the citric-acid-retarded cement. The phase composition assembled in both retarded and non-retarded cements after autoclaving at 180 degrees C encompassed three reaction products, hydroxyapatite (HOAp), hydrogrossular and boehmite, which are responsible for strengthening the autoclaved cement. The first two reaction products were susceptible to reactions with sulphuric acid and sodium sulphate to form crystalline bassanite scale as the corrosion product. The boehmite phase possessed a great resistance to acid and sulphate. Although the bassanite scales clinging to the surfaces of the cement were the major factor governing the loss in weight, they served to protect the cement from further acid and sulphate corrosion until their spallation eventually occurred. Nevertheless, the repetitive processes of HOAp and hydorgrossular -> bassanite -> spallation played an important role in extending the useful lifetime of CaP cement in a low pH environment at 180 degrees C. C1 Brookhaven Natl Lab, Energy Sci & Technol Dept, Energy Resources Div, Upton, NY 11973 USA. RP Sugama, T (reprint author), Brookhaven Natl Lab, Energy Sci & Technol Dept, Energy Resources Div, Bldg 526,12 N 6th St, Upton, NY 11973 USA. NR 13 TC 5 Z9 5 U1 1 U2 10 PU THOMAS TELFORD PUBLISHING PI LONDON PA THOMAS TELFORD HOUSE, 1 HERON QUAY, LONDON E14 4JD, ENGLAND SN 0951-7197 J9 ADV CEM RES JI Adv. Cem. Res. PD APR PY 2006 VL 18 IS 2 BP 47 EP 57 DI 10.1680/adcr.2006.18.2.47 PG 11 WC Construction & Building Technology; Materials Science, Multidisciplinary SC Construction & Building Technology; Materials Science GA 047BY UT WOS:000237856000001 ER PT J AU Grinstein, FF Liu, NS Oefelein, JC AF Grinstein, FF Liu, NS Oefelein, JC TI Introduction: Combustion modeling and large eddy simulation: Development and validation needs for gas turbines SO AIAA JOURNAL LA English DT Editorial Material C1 Los Alamos Natl Lab, Los Alamos, NM 87544 USA. NASA, John H Glenn Res Ctr Lewis Field, Cleveland, OH 44135 USA. Sandia Natl Labs, Livermore, CA USA. RP Grinstein, FF (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87544 USA. NR 0 TC 4 Z9 6 U1 1 U2 1 PU AMER INST AERONAUT ASTRONAUT PI RESTON PA 1801 ALEXANDER BELL DRIVE, STE 500, RESTON, VA 22091-4344 USA SN 0001-1452 J9 AIAA J JI AIAA J. PD APR PY 2006 VL 44 IS 4 BP 673 EP 673 DI 10.2514/1.23786 PG 1 WC Engineering, Aerospace SC Engineering GA 032CS UT WOS:000236752100001 ER PT J AU Jackson, JD AF Jackson, JD TI How an antenna launches its input power into radiation: The pattern of the Poynting vector at and near an antenna SO AMERICAN JOURNAL OF PHYSICS LA English DT Article ID STEADY-STATE SOLUTIONS; FORCED-OSCILLATIONS; FIELD; RESISTANCE AB I address the question of whether the seat of the power radiated by an antenna made of conducting members is distributed over the arms of the antenna according to -J(.)E, where J is the current density and E is the electric field produced by the source. Poynting's theorem permits only a global identification of the total input power, usually from a localized generator, with the total power radiated to infinity, not a local correspondence of -J(.)Ed(x)(3) with a specific radiated power, r(2)S (.) rd Omega. I describe a model antenna consisting of two perfectly conducting hemispheres of radius a separated by a small equatorial gap across which occurs the driving oscillatory electric field. The fields and surface current are determined by solution of the boundary value problem. In contrast to the first approach (not a boundary value problem), the tangential electric field vanishes on the metallic surface. There is no radial Poynting vector at the surface. Numerical examples are shown to illustrate how the energy flows from the input region at the gap and is guided near the antenna by its arms until it is launched at larger r/a into the radiation pattern determined by the value of ka. (c) 2006 American Association of Physics Teachers. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Jackson, JD (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM jdjackson@lbl.gov NR 26 TC 3 Z9 3 U1 0 U2 3 PU AMER ASSOC PHYSICS TEACHERS AMER INST PHYSICS PI MELVILLE PA STE 1 NO 1, 2 HUNTINGTON QUADRANGLE, MELVILLE, NY 11747-4502 USA SN 0002-9505 J9 AM J PHYS JI Am. J. Phys. PD APR PY 2006 VL 74 IS 4 BP 280 EP 288 DI 10.1119/1.2063069 PG 9 WC Education, Scientific Disciplines; Physics, Multidisciplinary SC Education & Educational Research; Physics GA 028UK UT WOS:000236514100006 ER PT J AU Patterson, BM Havrilla, GJ AF Patterson, BM Havrilla, GJ TI Three-dimensional elemental imaging using a confocal X-ray fluorescence microscope SO AMERICAN LABORATORY LA English DT Article AB Micro X-ray fluorescence is a powerful nondestructive technique for elemental analysis of many types of samples, including forensics, cultural provenance, minerals, materials, thin films, particles, fossils, nanotechnology products, and polymers. The technique can provide both single-point spectra and full spectral elemental maps. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Patterson, BM (reprint author), Los Alamos Natl Lab, POB 1663,MS K484, Los Alamos, NM 87545 USA. EM havrilla@Ianl.gov; havrilla@lanl.gov NR 5 TC 20 Z9 20 U1 0 U2 3 PU INT SCIENTIFIC COMMUN INC PI SHELTON PA PO BOX 870, 30 CONTROLS DRIVE, SHELTON, CT 06484-0870 USA SN 0044-7749 J9 AM LAB JI Am. Lab. PD APR PY 2006 VL 38 IS 8 BP 15 EP + PG 6 WC Chemistry, Analytical; Instruments & Instrumentation SC Chemistry; Instruments & Instrumentation GA 037II UT WOS:000237139900002 ER PT J AU Baskaran, LM Dale, VH Efroymson, RA Birkhead, W AF Baskaran, LM Dale, VH Efroymson, RA Birkhead, W TI Habitat modeling within a regional context: An example using gopher tortoise SO AMERICAN MIDLAND NATURALIST LA English DT Article ID DIFFERENT SPATIAL SCALES; LOGISTIC-REGRESSION; LANDSCAPE CONTEXT; SPECIES RICHNESS; BURROW USE; LAND-USE; POLYPHEMUS; CLASSIFICATION; POPULATION; FLORIDA AB Changes in habitat are often a major influence on species distribution and even survival. Yet predicting habitat often requires detailed field data that are difficult to acquire, especially on private lands. Therefore, we have developed a model that builds on extensive data that are available from public lands and extends them to surrounding private lands. This model is applied for a five-county region in Georgia to predict habitats for the gopher tortoise (Gopherus polyphemus), based on analysis of documented locations of gopher tortoise burrows at the Fort Benning military installation in west central Georgia. Burrow associations with land cover, soil, topography and water observed within the military installation were analyzed with binary logistic regression. This analysis helped generate a probability map for the occurrence of gopher tortoise burrows in the five-county region surrounding Fort Benning. Ground visits were made to test the accuracy of the model in predicting gopher tortoise habitat. The results showed that information on land cover, soils, and distances to streams and roads can be used to predict gopher tortoise burrows. This approach can be used to better understand and effectively carry out gopher tortoise habitat restoration and preservation activities. C1 Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. Columbus State Univ, Dept Biol, Columbus, GA 31907 USA. RP Baskaran, LM (reprint author), Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. EM baskaranl@ornl.gov RI Dale, Virginia/B-6023-2009; Baskaran, Latha/D-9754-2016 OI Baskaran, Latha/0000-0001-8487-3914 NR 65 TC 8 Z9 8 U1 5 U2 21 PU AMER MIDLAND NATURALIST PI NOTRE DAME PA UNIV NOTRE DAME, BOX 369, ROOM 295 GLSC, NOTRE DAME, IN 46556 USA SN 0003-0031 J9 AM MIDL NAT JI Am. Midl. Nat. PD APR PY 2006 VL 155 IS 2 BP 335 EP 351 DI 10.1674/0003-0031(2006)155[335:HMWARC]2.0.CO;2 PG 17 WC Biodiversity Conservation; Ecology SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 036RF UT WOS:000237092000009 ER PT J AU Svec, F Huber, CG AF Svec, F Huber, CG TI Monolithic materials - Promises, challenges, achievements SO ANALYTICAL CHEMISTRY LA English DT Article ID PERFORMANCE LIQUID-CHROMATOGRAPHY; POROUS POLYMER MONOLITHS; SIZE-EXCLUSION CHROMATOGRAPHY; IONIZATION MASS-SPECTROMETRY; SOLID-PHASE EXTRACTION; OPEN-PORE POLYURETHANE; CAPILLARY ELECTROCHROMATOGRAPHY; STATIONARY PHASES; NUCLEIC-ACIDS; MEMBRANE CHROMATOGRAPHY C1 Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. Univ Saarland, D-6600 Saarbrucken, Germany. RP Svec, F (reprint author), Lawrence Berkeley Natl Lab, Mol Foundry, Berkeley, CA 94720 USA. EM fsvec@lbl.gov RI Huber, Christian G./E-5445-2011 OI Huber, Christian G./0000-0001-8358-1880 NR 62 TC 204 Z9 204 U1 2 U2 48 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 J9 ANAL CHEM JI Anal. Chem. PD APR 1 PY 2006 VL 78 IS 7 BP 2100 EP 2107 DI 10.1021/ac069383v PG 8 WC Chemistry, Analytical SC Chemistry GA 031EJ UT WOS:000236686600008 ER PT J AU Zheng, F Baldwin, DL Fifield, LS Anheier, NC Aardahl, CL Grate, JW AF Zheng, F Baldwin, DL Fifield, LS Anheier, NC Aardahl, CL Grate, JW TI Single-walled carbon nanotube paper as a sorbent for organic vapor preconcentration SO ANALYTICAL CHEMISTRY LA English DT Article ID ALCOHOL; ADSORPTION; ACTUATORS; ADSORBENT; MICROTRAP; SYSTEM; AIR AB Single-walled carbon nanotubes were examined as an adsorptive material for a thermally desorbed preconcentrator for organic vapors. The nanotubes were processed into a paper form and packed into a metal tube for flow-through sampling. Adsorbed vapors were released by a temperature-programmed desorption method and detected downstream with a flexural plate wave vapor sensor. The tested vapors, methyl ethyl ketone, toluene, and dimethyl methylphosphonate, were released from the packed column at different temperatures. The vapors were retained more strongly than previously observed for the widely used Tenax porous polymer, indicating a significant affinity of the single walled nanotubes for organic vapors. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Grate, JW (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM jwgrate@pnl.gov RI Zheng, Feng/C-7678-2009; Fifield, Leonard/E-9773-2010 OI Zheng, Feng/0000-0002-5427-1303; Fifield, Leonard/0000-0002-7432-5356 NR 27 TC 62 Z9 65 U1 2 U2 24 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 J9 ANAL CHEM JI Anal. Chem. PD APR 1 PY 2006 VL 78 IS 7 BP 2442 EP 2446 DI 10.1021/ac051524q PG 5 WC Chemistry, Analytical SC Chemistry GA 031EJ UT WOS:000236686600054 PM 16579632 ER PT J AU Jagust, W Gitcho, A Sun, F Kuczynski, B Mungas, D Haan, M AF Jagust, W Gitcho, A Sun, F Kuczynski, B Mungas, D Haan, M TI Brain imaging evidence of preclinical Alzheimer's disease in normal aging SO ANNALS OF NEUROLOGY LA English DT Article ID MILD COGNITIVE IMPAIRMENT; WHITE-MATTER HYPERINTENSITIES; POSITRON-EMISSION-TOMOGRAPHY; HIPPOCAMPAL ATROPHY; GLUCOSE-METABOLISM; ENTORHINAL CORTEX; MEMORY PERFORMANCE; COMMUNITY SAMPLE; ELDERLY LATINOS; OLDER LATINOS AB Objective: This study was designed to test the hypothesis that baseline glucose metabolism and medial temporal lobe brain volumes are predictive of cognitive decline in normal older people. Methods: We performed positron emission tomography using [F-18]fluorodeoxyglucose and structural magnetic resonance imaging at baseline in 60 cognitively normal community-dwelling older subjects who were part of a longitudinal cohort study. Subjects were followed for a mean of 3.8 years, with approximately annual evaluation of global cognition (the Modified Mini-Mental State Examination) and episodic memory (delayed recall). Baseline brain volumes and glucose metabolism were evaluated in relation to the rate of change in cognitive test scores. Results: Six subjects developed incident dementia or cognitive impairment (converters). Baseline positron emission tomography scans showed regions in left and right angular gyrus, left mid-temporal gyrus, and left middle frontal gyrus that predicted the rate of change on the Modified Mini-Mental State Examination (p < 0.001.). The left hemisphere temporal and parietal regions remained significant when converters were excluded. Both hippocampal (p = 0.03) and entorhinal cortical volumes (p = 0.01) predicted decline on delayed recall over time, and entorhinal cortical volumes remained significant when converters were excluded (p = 0.02). These brain volumes did not predict Modified Mini-Mental State Examination decline. Interpretation: These results indicate that temporal and parietal glucose metabolism predict decline in global cognitive function, and medial temporal brain volumes predict memory decline in normal older people. The anatomical location of these findings suggests detection of preclinical Alzheimer's disease pathology. C1 Univ Calif Berkeley, Helen Wills Neurosci Inst, Berkeley, CA 94720 USA. Univ Calif Berkeley, Sch Publ Hlth, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Calif Davis, Sch Med, Dept Neurol, Davis, CA 95616 USA. Univ Michigan, Sch Publ Hlth, Dept Epidemiol, Ann Arbor, MI 48109 USA. RP Jagust, W (reprint author), Univ Calif Berkeley, Helen Wills Neurosci Inst, 132 Barker Hall, Berkeley, CA 94720 USA. EM jagust@berkeley.edu RI Mungas, Dan/E-6810-2011 FU NIA NIH HHS [AG10220, AG12975, R03 AG033751]; NIDDK NIH HHS [DK60753, R01 DK060753] NR 51 TC 107 Z9 111 U1 1 U2 8 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0364-5134 J9 ANN NEUROL JI Ann. Neurol. PD APR PY 2006 VL 59 IS 4 BP 673 EP 681 DI 10.1002/ana.20799 PG 9 WC Clinical Neurology; Neurosciences SC Neurosciences & Neurology GA 029ZZ UT WOS:000236604200017 PM 16470518 ER PT J AU Newbury, BD Notis, MR Stephenson, B Cargill, GS Stephenson, GB AF Newbury, BD Notis, MR Stephenson, B Cargill, GS Stephenson, GB TI The astrolabe craftsmen of Lahore and early brass metallurgy SO ANNALS OF SCIENCE LA English DT Article AB A study of the metallurgy and manufacturing techniques of a group of eight astrolabes (seven from Lahore, one attributed to India) using non-destructive methods has produced the earliest evidence for systematic use of high-zinc (a+b) brass. To produce this alloy, the brass industry supplying the Lahore instrument makers must have co-melted metallic copper and zinc. This brass-making technology was previously believed to have been developed on an industrial scale in the nineteenth century in Europe. This work hypothesizes that this technology was used in Lahore on an industrial scale as early as ad 1601. In addition, this work hypothesizes that the a+b brass alloy was used specifically for its ease in manufacturing the thin sheet brass required for astrolabe-component manufacture. C1 Lehigh Univ, Archaeomet Lab, Dept Mat Sci & Engn, Bethlehem, PA 18015 USA. Adler Planetarium & Astron Museum, Hist Astron Dept, Chicago, IL 60605 USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Newbury, BD (reprint author), Lehigh Univ, Archaeomet Lab, Dept Mat Sci & Engn, 5 E Packer Ave, Bethlehem, PA 18015 USA. NR 28 TC 6 Z9 6 U1 0 U2 1 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 0003-3790 J9 ANN SCI JI Ann. Sci. PD APR PY 2006 VL 63 IS 2 BP 201 EP 213 DI 10.1080/00033790600583162 PG 13 WC History & Philosophy Of Science SC History & Philosophy of Science GA 040RT UT WOS:000237398800004 ER PT J AU Westphalen, D Roth, K Brodrick, J AF Westphalen, D Roth, K Brodrick, J TI Heat transfer enhancement SO ASHRAE JOURNAL LA English DT Editorial Material AB Heat transfer enhancements can improve the heat exchanger effectiveness of internal and external flows. Typically, they increase fluid mixing, by increasing flow vorticity, unsteadiness, or turbulence or by limiting the growth of fluid boundary layers close to the heat transfer surfaces. C1 TIAX, HVAC & Refrigerat Technol Sector, Cambridge, MA USA. US DOE, Bldg Technol Program, Washington, DC USA. RP Westphalen, D (reprint author), TIAX, HVAC & Refrigerat Technol Sector, Cambridge, MA USA. NR 6 TC 11 Z9 11 U1 0 U2 1 PU AMER SOC HEATING REFRIGERATING AIR-CONDITIONING ENG, INC, PI ATLANTA PA 1791 TULLIE CIRCLE NE, ATLANTA, GA 30329 USA SN 0001-2491 J9 ASHRAE J JI ASHRAE J. PD APR PY 2006 VL 48 IS 4 BP 68 EP + PG 3 WC Thermodynamics; Construction & Building Technology; Engineering, Mechanical SC Thermodynamics; Construction & Building Technology; Engineering GA 032KO UT WOS:000236773500016 ER PT J AU Inada, N Oguri, M Becker, RH White, RL Gregg, MD Schechter, PL Kawano, Y Kochanek, CS Richards, GT Schneider, DP Barentine, JC Brewington, HJ Brinkmann, J Harvanek, M Kleinman, SJ Krzesinski, J Long, D Neilsen, EH Nitta, A Snedden, SA York, DG AF Inada, N Oguri, M Becker, RH White, RL Gregg, MD Schechter, PL Kawano, Y Kochanek, CS Richards, GT Schneider, DP Barentine, JC Brewington, HJ Brinkmann, J Harvanek, M Kleinman, SJ Krzesinski, J Long, D Neilsen, EH Nitta, A Snedden, SA York, DG TI SDSS J0806+2006 and SDSS J1353+1138: Two new gravitationally lensed quasars from the Sloan Digital Sky Survey SO ASTRONOMICAL JOURNAL LA English DT Article DE gravitational lensing; quasars : individual (SDSS J080623.70+200631.9, SDSS J135306.35+113804.8) ID SPECTROSCOPIC TARGET SELECTION; DATA RELEASE; GALAXY STRUCTURE; STANDARD STARS; SAMPLE; SPECTROGRAPH; SYSTEM; SEPARATIONS; TELESCOPE; EVOLUTION AB We report the discoveries of two two-image gravitationally lensed quasars selected from the Sloan Digital Sky Survey: SDSS J0806+2006 at z(s) = 540 and SDSS J1353+1138 at z(s) = 1.629 with image separations of Delta theta = 1."40 and Delta theta = 1."41, respectively. Spectroscopic and optical/near-infrared imaging follow-up observations show that the quasar images have identical redshifts and possess extended objects between the images that are likely to be lens galaxies at z(l) similar or equal to 0.6 in SDSS J0806+2006 and z(l) similar or equal to 0.3 in SDSS J1353+1138. The field of SDSS J0806+2006 contains several nearby galaxies that may significantly perturb the system, and SDSS J1353+1138 has an extra component near its Einstein ring that is probably a foreground star. Simple mass models with reasonable parameters reproduce the quasar positions and fluxes of both systems. C1 Univ Tokyo, Fac Sci, Inst Astron, Mitaka, Tokyo 1810015, Japan. Princeton Univ Observ, Princeton, NJ 08544 USA. Univ Tokyo, Dept Phys, Bunkyo Ku, Tokyo 1130033, Japan. Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94550 USA. Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. Space Telescope Sci Inst, Baltimore, MD 21218 USA. MIT, Kavli Inst Astrophys & Space Res, Cambridge, MA 02139 USA. Nagoya Univ, Dept Phys & Astrophys, Chikusa Ku, Nagoya, Aichi 4648062, Japan. Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. Penn State Univ, Dept Astron & Astrophys, Davey Lab 525, University Pk, PA 16802 USA. Apache Point Observ, Sunspot, NM 88349 USA. Cracow Pedagog Univ, Mt Suhora Observ, PL-30084 Krakow, Poland. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. RP Inada, N (reprint author), Univ Tokyo, Fac Sci, Inst Astron, 2-21-1 Osawa, Mitaka, Tokyo 1810015, Japan. RI Oguri, Masamune/C-6230-2011 NR 60 TC 23 Z9 23 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-6256 J9 ASTRON J JI Astron. J. PD APR PY 2006 VL 131 IS 4 BP 1934 EP 1941 DI 10.1086/500591 PG 8 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 026SA UT WOS:000236361200004 ER PT J AU Whalen, DJ Laurent-Muehleisen, SA Moran, EC Becker, RH AF Whalen, DJ Laurent-Muehleisen, SA Moran, EC Becker, RH TI Optical properties of radio-selected narrow-line Seyfert 1 galaxies SO ASTRONOMICAL JOURNAL LA English DT Article DE galaxies : Seyfert; quasars : emission lines ID ACTIVE GALACTIC NUCLEI; BLACK-HOLE MASS; X-RAY PROPERTIES; VELOCITY DISPERSION; ACCRETION DISKS; COMPLETE SAMPLE; QUASARS; SPECTRA; LOUD; OBJECTS AB We present results from the analysis of the optical spectra of 47 radio-selected narrow-line Seyfert 1 (NLS1) galaxies. These objects are a subset of the First Bright Quasar Survey and were initially detected at 20 cm ( flux density limit similar to 1 Jy) in the VLA FIRST Survey. We run Spearman rank correlation tests on several sets of parameters and conclude that, except for their radio properties, radio-selected NLS1 galaxies do not exhibit significant differences from traditional NLS1 galaxies. Our results are also in agreement with previous studies suggesting that NLS1 galaxies have small black hole masses that are accreting very close to the Eddington rate. We have found 16 new radio-loud NLS1 galaxies, which increases the number of known radio-loud NLS1 galaxies by a factor of similar to 5. C1 Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. Lawrence Livermore Natl Lab, IGPP, Livermore, CA 94550 USA. Wesleyan Univ, Dept Astron, Middletown, CT 06459 USA. RP Whalen, DJ (reprint author), Univ Calif Davis, Dept Phys, 1 Shields Ave, Davis, CA 95616 USA. EM jwhalen@igpp.ucllnl.org; slauren@igpp.ucllnl.org; ecm@astro.wesleyan.edu; bob@igpp.ucllnl.org NR 41 TC 27 Z9 28 U1 0 U2 2 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-6256 J9 ASTRON J JI Astron. J. PD APR PY 2006 VL 131 IS 4 BP 1948 EP 1960 DI 10.1086/500825 PG 13 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 026SA UT WOS:000236361200006 ER PT J AU Bernardi, M Sheth, RK Nichol, RC Miller, CJ Schlegel, D Frieman, J Schneider, DP Subbarao, M York, DG Brinkmann, J AF Bernardi, M Sheth, RK Nichol, RC Miller, CJ Schlegel, D Frieman, J Schneider, DP Subbarao, M York, DG Brinkmann, J TI A search for the most massive galaxies: Double trouble? SO ASTRONOMICAL JOURNAL LA English DT Article DE galaxies : elliptical and lenticular, cD; galaxies : evolution; galaxies : fundamental parameters; galaxies : photometry; galaxies : stellar content ID DIGITAL SKY SURVEY; SPECTROSCOPIC TARGET SELECTION; VELOCITY DISPERSIONS; ELLIPTIC GALAXIES; DATA RELEASE; CLUSTERS; DENSITY; SAMPLE; DISTRIBUTIONS; REDSHIFTS AB We describe the results of a search for galaxies with large (>= 350 km s(-1)) velocity dispersions. The largest systems we have found appear to be the extremes of the early-type galaxy population: compared to other galaxies with similar luminosities, they have the largest velocity dispersions and the smallest sizes. However, they are not distant outliers from the fundamental plane and mass-to-light scaling relations defined by the bulk of the early-type galaxy population. They may host the most massive black holes in the universe, and their abundance and properties can be used to constrain galaxy formation models. Clear outliers from the scaling relations tend to be objects in superposition (angular separations smaller than 100), evidence for which comes sometimes from the spectra, sometimes from the images, and sometimes from both. The statistical properties of the superposed pairs, e. g., the distribution of pair separations and velocity dispersions, can be used to provide useful information about the expected distribution of image multiplicities, separations, and flux ratios due to gravitational lensing by multiple lenses, and may also constrain models of their interaction rates. C1 Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA. Univ Portsmouth, Inst Cosmol & Gravitat, Portsmouth PO1 2EG, Hants, England. Natl Opt Astron Observ, Cerro Tololo Interamer Observ, La Serena, Chile. Princeton Univ, Princeton, NJ 08544 USA. Univ Chicago, Ctr Astron & Astrophys, Chicago, IL 60637 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. Apache Point Observ, Sunspot, NM 88349 USA. RP Bernardi, M (reprint author), Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA. NR 44 TC 36 Z9 36 U1 0 U2 3 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-6256 J9 ASTRON J JI Astron. J. PD APR PY 2006 VL 131 IS 4 BP 2018 EP 2034 DI 10.1086/499770 PG 17 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 026SA UT WOS:000236361200012 ER PT J AU Struble, MF Galatola, A Faccioli, L Alcock, C Cruz, K AF Struble, MF Galatola, A Faccioli, L Alcock, C Cruz, K TI Evidence for companion-induced secular changes in the turbulent disk of a be star in the large magellanic cloud MACHO database SO ASTRONOMICAL JOURNAL LA English DT Article DE stars : emission-line, Be; stars : variables : other ID GRAVITATIONAL LENSING EXPERIMENT; KH 15D; CIRCUMSTELLAR DISK; VARIABLE-STARS; PROTOPLANETARY DISKS; STELLAR COMPANIONS; ACCRETION DISCS; DUST DISK; BINARY; ECLIPSES AB The light curve of a blue variable in the MACHO LMC database (FTS ID78.5979.72) appeared nearly unvarying for about 4 yr (the quasi-flat segment) but then rapidly changed to become periodic with noisy minima for the remaining 4 yr ( the periodic segment); there are no antecedent indications of a gradual approach to this change. Lomb periodogram analyses indicate the presence of two distinct periods of similar to 61 and 8 days in both the quasi-flat and the periodic segments. Minima of the periodic segment cover at least 50% of the orbital period and contain spikes of light with the 8 day period; maxima do not show this short period. The system typically shows maxima to be redder than minima. The most recent OGLE-III light curve shows only a 30 day periodicity. The variable's Vand R magnitudes and color are those of a Be star, and recent sets of near-infrared spectra 4 days apart, secured during the time of the OGLE-III data, show H alpha emission near and at a maximum, confirming its Be star characteristics. The model that best fits the photometric behavior consists of a thin ringlike circumstellar disk of low mass with four obscuring sectors orbiting the central B star in unison at the 61 day period. The central star peers through the three equispaced separations between the four sectors producing the 8 day period. These sectors could be dusty vortices comprised of particles larger than typical interstellar dust grains that dim but selectively scatter the central star's light, while the remainder of the disk contains hydrogen in emission, making maxima appear redder. A companion star of lower mass in an inclined and highly eccentric orbit produces an impulsive perturbation near its periastron to change the disk's orientation, changing eclipses from partial to complete within similar to 10 days. The most recent change to a 30 day period observed in the OGLE-III data may be caused by obscuring sectors that have coalesced into larger ones and spread out along the disk. C1 Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA. W Chester Univ, Dept Geol & Astron, W Chester, PA 19383 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. Amer Museum Nat Hist, Dept Astrophys, New York, NY 10024 USA. RP Struble, MF (reprint author), Univ Penn, Dept Phys & Astron, 209 S 33rd St, Philadelphia, PA 19104 USA. EM struble@physics.upenn.edu; agalatola@wcupa.edu; lfaccioli@lbl.gov; calcock@cfa.harvard.edu; kelle@amnh.org OI Cruz, Kelle/0000-0002-1821-0650 NR 61 TC 2 Z9 2 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0004-6256 J9 ASTRON J JI Astron. J. PD APR PY 2006 VL 131 IS 4 BP 2196 EP 2208 DI 10.1086/500806 PG 13 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 026SA UT WOS:000236361200024 ER PT J AU Gunn, JE Siegmund, WA Mannery, EJ Owen, RE Hull, CL Leger, RF Carey, LN Knapp, GR York, DG Boroski, WN Kent, SM Lupton, RH Rockosi, CM Evans, ML Waddell, P Anderson, JE Annis, J Barentine, JC Bartoszek, LM Bastian, S Bracker, SB Brewington, HJ Briegel, CI Brinkmann, J Brown, YJ Carr, MA Czarapata, PC Drennan, CC Dombeck, T Federwitz, GR Gillespie, BA Gonzales, C Hansen, SU Harvanek, M Hayes, J Jordan, W Kinney, E Klaene, M Kleinman, SJ Kron, RG Kresinski, J Lee, G Limmongkol, S Lindenmeyer, CW Long, DC Loomis, CL McGehee, PM Mantsch, PM Neilsen, EH Neswold, RM Newman, PR Nitta, A Peoples, J Pier, JR Prieto, PS Prosapio, A Rivetta, C Schneider, DP Snedden, S Wang, SI AF Gunn, JE Siegmund, WA Mannery, EJ Owen, RE Hull, CL Leger, RF Carey, LN Knapp, GR York, DG Boroski, WN Kent, SM Lupton, RH Rockosi, CM Evans, ML Waddell, P Anderson, JE Annis, J Barentine, JC Bartoszek, LM Bastian, S Bracker, SB Brewington, HJ Briegel, CI Brinkmann, J Brown, YJ Carr, MA Czarapata, PC Drennan, CC Dombeck, T Federwitz, GR Gillespie, BA Gonzales, C Hansen, SU Harvanek, M Hayes, J Jordan, W Kinney, E Klaene, M Kleinman, SJ Kron, RG Kresinski, J Lee, G Limmongkol, S Lindenmeyer, CW Long, DC Loomis, CL McGehee, PM Mantsch, PM Neilsen, EH Neswold, RM Newman, PR Nitta, A Peoples, J Pier, JR Prieto, PS Prosapio, A Rivetta, C Schneider, DP Snedden, S Wang, SI TI The 2.5 m telescope of the Sloan Digital Sky Survey SO ASTRONOMICAL JOURNAL LA English DT Article DE surveys; telescopes ID SPECTROSCOPIC TARGET SELECTION; SURVEY 2.5-METER TELESCOPE; SDSS IMAGING PIPELINES; DATA RELEASE; SECONDARY MIRRORS; GALAXY SAMPLE; DESIGN; SYSTEM; ENCLOSURE; REDSHIFT AB We describe the design, construction, and performance of the Sloan Digital Sky Survey telescope located at Apache Point Observatory. The telescope is a modified two-corrector Ritchey-Chretien design with a 2.5 m, f/2.25 primary, a 1.08 m secondary, a Gascoigne astigmatism corrector, and one of a pair of interchangeable highly aspheric correctors near the focal plane, one for imaging and the other for spectroscopy. The final focal ratio is f/5. The telescope is instrumented by a wide-area, multiband CCD camera and a pair of fiber-fed double spectrographs. Novel features of the telescope include the following: (1) A 3 degrees diameter (0.65 m) focal plane that has excellent image quality and small geometric distortions over a wide wavelength range (3000-10,600 8) in the imaging mode, and good image quality combined with very small lateral and longitudinal color errors in the spectroscopic mode. The unusual requirement of very low distortion is set by the demands of time-delay-and-integrate (TDI) imaging. (2) Very high precision motion to support open-loop TDI observations. (3) A unique wind baffle/enclosure construction to maximize image quality and minimize construction costs. The telescope had first light in 1998 May and began regular survey operations in 2000. C1 Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. Univ Washington, Dept Astron, Seattle, WA 98195 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Fermilab Natl Accelerator Lab, Chicago, IL 60637 USA. Univ Chicago, Ctr Astron & Astrophys, Chicago, IL 60637 USA. Univ Calif Santa Cruz, Lick Observ, Santa Cruz, CA 95064 USA. Apache Point Observ, Sunspot, NM 88349 USA. Yorke J Brown Sci & Engn Consulting, Etna, NH 03750 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. USN, Flagstaff Stn, Flagstaff, AZ 86001 USA. Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. RP Gunn, JE (reprint author), Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. OI Mantsch, Paul/0000-0002-8382-7745; Drennan, Craig/0000-0003-3302-3789 NR 66 TC 824 Z9 829 U1 4 U2 21 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-6256 J9 ASTRON J JI Astron. J. PD APR PY 2006 VL 131 IS 4 BP 2332 EP 2359 DI 10.1086/500975 PG 28 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 026SA UT WOS:000236361200037 ER PT J AU Poutanen, T de Gasperis, G Hivon, E Kurki-Suonio, H Balbi, A Borrill, J Cantalupo, C Dore, O Keihanen, E Lawrence, CR Maino, D Natoli, P Prunet, S Stompor, R Teyssier, R AF Poutanen, T de Gasperis, G Hivon, E Kurki-Suonio, H Balbi, A Borrill, J Cantalupo, C Dore, O Keihanen, E Lawrence, CR Maino, D Natoli, P Prunet, S Stompor, R Teyssier, R TI Comparison of map-making algorithms for CMB experiments SO ASTRONOMY & ASTROPHYSICS LA English DT Article DE methods : data analysis; cosmology : cosmic microwave background ID MICROWAVE BACKGROUND ANISOTROPIES; POWER SPECTRUM ESTIMATION; SCANNING STRATEGY; PLANCK SURVEYOR; DESTRIPING TECHNIQUE; LOSING INFORMATION; POLARIZED DATA; 1/F NOISE; DATA SETS; MISSION AB We have compared the cosmic microwave background (CMB) temperature anisotropy maps made from one-year time ordered data (TOD) streams that simulated observations of the originally planned 100 GHz Planck Low Frequency Instrument (LFI). The maps were made with three different codes. Two of these, ROMA and MapCUMBA, were implementations of maximum-likelihood (ML) map-making, whereas the third was an implementation of the destriping algorithm. The purpose of this paper is to compare these two methods, ML and destriping, in terms of the maps they produce and the angular power spectrum estimates derived from these maps. The difference in the maps produced by the two ML codes was found to be negligible. As expected, ML was found to produce maps with lower residual noise than destriping. In addition to residual noise, the maps also contain an error which is due to the effect of subpixel structure in the signal on the map-making method. This error is larger for ML than for destriping. If this error is not corrected a bias will be introduced in the power spectrum estimates. This study is related to Planck activities. C1 Helsinki Inst Phys, Helsinki 00014, Finland. Univ Helsinki, Dept Phys Sci, FIN-00014 Helsinki, Finland. Univ Roma Tor Vergata, Dipartimento Fis, I-00133 Rome, Italy. CALTECH, IPAC, Pasadena, CA 91125 USA. Ist Nazl Fis Nucl, Sez Roma 2, I-00133 Rome, Italy. Univ Calif Berkeley, Lawrence Berkeley Lab, Computat Res Div, Berkeley, CA 94720 USA. Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08540 USA. CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. Univ Milan, Dipartimento Fis, I-20131 Milan, Italy. Inst Astrophys Paris, F-75104 Paris, France. Ctr Etud Saclay, Serv Astrophys, DAPNIA, F-91191 Gif Sur Yvette, France. RP Poutanen, T (reprint author), Helsinki Inst Phys, POB 64, Helsinki 00014, Finland. EM torsti.poutanen@helsinki.fi RI de Gasperis, Giancarlo/C-8534-2012; Kurki-Suonio, Hannu/B-8502-2016; OI de Gasperis, Giancarlo/0000-0003-2899-2171; Kurki-Suonio, Hannu/0000-0002-4618-3063; Hivon, Eric/0000-0003-1880-2733 NR 35 TC 27 Z9 27 U1 0 U2 0 PU EDP SCIENCES S A PI LES ULIS CEDEX A PA 17, AVE DU HOGGAR, PA COURTABOEUF, BP 112, F-91944 LES ULIS CEDEX A, FRANCE SN 0004-6361 J9 ASTRON ASTROPHYS JI Astron. Astrophys. PD APR PY 2006 VL 449 IS 3 BP 1311 EP U274 DI 10.1051/0004-6361:20052845 PG 17 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 025ET UT WOS:000236248800042 ER PT J AU Boulay, MG Hime, A AF Boulay, MG Hime, A TI Technique for direct detection of weakly interacting massive particles using scintillation time discrimination in liquid argon SO ASTROPARTICLE PHYSICS LA English DT Article DE dark matter; scintillation; argon; weakly interacting massive particle; cryogenic ID DARK-MATTER; XENON; NEON AB Discrimination between electron and nuclear recoil events in a liquid argon scintillation detector has been demonstrated with simulations by using the differences in the scintillation photon time distribution between these classes of events. A discrimination power greater than 108 is predicted for a liquid argon experiment with a 10 keV threshold, which would mitigate electron and gamma-ray backgrounds, including beta decays of Ar-39 and Ar-42 in atmospheric argon. A dark matter search using a similar to 2 kg argon target viewed by immersed photomultiplier tubes would allow a sensitivity to a spin-independent WIMP-nucleon cross-section of similar to 10(-43) cm(2) for a 100 GeV WIMP, assuming a one-year exposure. This technique could be used to scale the target mass to the tonne scale, allowing a sensitivity of similar to 10(-46) cm(2). (c) 2006 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA. RP Boulay, MG (reprint author), Queens Univ, Dept Phys, Stirling Hall, Kingston, ON K7L 3N6, Canada. EM mgb@owl.phy.queensu.ca NR 20 TC 75 Z9 75 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-6505 EI 1873-2852 J9 ASTROPART PHYS JI Astropart Phys. PD APR PY 2006 VL 25 IS 3 BP 179 EP 182 DI 10.1016/j.astropartphys.2005.12.009 PG 4 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 034IT UT WOS:000236923300001 ER PT J AU Young, PA Fryer, CL Hungerford, A Arnett, D Rockefeller, G Timmes, FX Voit, B Meakin, C Eriksen, KA AF Young, PA Fryer, CL Hungerford, A Arnett, D Rockefeller, G Timmes, FX Voit, B Meakin, C Eriksen, KA TI Constraints on the progenitor of Cassiopeia A SO ASTROPHYSICAL JOURNAL LA English DT Article DE hydrodynamics; nuclear reactions, nucleosynthesis, abundances; stars : evolution; supernova remnants; supernovae : individual (Cassiopeia A) ID WOLF-RAYET STARS; SUPERNOVA REMNANT; BLACK-HOLE; STELLAR EVOLUTION; NEUTRON-STAR; WHITE-DWARFS; MASS-LOSS; EXPLOSION; MODELS; CLOUDS AB We compare a suite of three-dimensional explosion calculations and stellar models incorporating advanced physics with observational constraints on the progenitor of Cassiopeia A. We consider binary and single stars from 16 to 40 M-circle dot with a range of explosion energies and geometries. The parameter space allowed by observations of nitrogen-rich high-velocity ejecta, ejecta mass, compact remnant mass, and Ti-44 and Ni-56 abundances individually and as an ensemble is considered. A progenitor of 15-25 M-circle dot that loses its hydrogen envelope to a binary interaction and undergoes an energetic explosion can match all the observational constraints. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. Univ Arizona, Dept Phys, Tucson, AZ 85721 USA. Univ Texas, Dept Comp Sci, Richardson, TX 75080 USA. RP Young, PA (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM payoung@lanl.gov; fryer@lanl.gov; aimee@lanl.gov; darnett@as.arizona.edu; gaber@lanl.gov; fxt@lanl.gov; cmeakin@as.arizona.edu; keriksen@as.arizona.edu RI Rockefeller, Gabriel/G-2920-2010 OI Rockefeller, Gabriel/0000-0002-9029-5097 NR 53 TC 91 Z9 91 U1 0 U2 4 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD APR 1 PY 2006 VL 640 IS 2 BP 891 EP 900 DI 10.1086/500108 PN 1 PG 10 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 026RR UT WOS:000236360300028 ER PT J AU DeLaney, T Gaensler, BM Arons, J Pivovaroff, MJ AF DeLaney, T Gaensler, BM Arons, J Pivovaroff, MJ TI Time variability in the X-ray nebula powered by pulsar B1509-58 SO ASTROPHYSICAL JOURNAL LA English DT Article DE ISM : individual (G320.4-1.2); ISM : jets and outflows; pulsars : individual (B1509-58); stars : neutron; supernova remnants; X-rays : ISM ID CRAB-NEBULA; SUPERNOVA REMNANT; WIND NEBULA; SYNCHROTRON NEBULA; CHANDRA OBSERVATION; SOUTHERN MILKY; PSR B1509-58; VELA PULSAR; MSH 15-52; JET AB We use new and archival Chandra and ROSAT data to study the time variability of the X-ray emission from the pulsar wind nebula (PWN) powered by PSR B1509-58 on timescales of 1 week to 12 yr. There is variability in the size, number, and brightness of compact knots appearing within 2000 of the pulsar, with at least one knot showing a possible outflow velocity of similar to 0.6c (assuming a distance to the source of 5.2 kpc). The transient nature of these knots may indicate that they are produced by turbulence in the flows surrounding the pulsar. A previously identified prominent jet extending 12 pc to the southeast of the pulsar increased in brightness by 30% over 9 yr; apparent outflow of material along this jet is observed with a velocity of similar to 0.5c. However, outflow alone cannot account for the changes in the jet on such short timescales. Magnetohydrodynamic sausage or kink instabilities are feasible explanations for the jet variability, with timescales of similar to 1.3-2 yr. An arc structure located 30"-45" north of the pulsar shows transverse structural variations and appears to have moved inward with a velocity of similar to 0.03c over 3 yr. The overall structure and brightness of the diffuse PWN exterior to this arc and excluding the jet has remained the same over the 12 yr span. The photon indices of the diffuse PWN and possibly the jet steepen with increasing radius, likely indicating synchrotron cooling at X-ray energies. C1 Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP DeLaney, T (reprint author), Harvard Smithsonian Ctr Astrophys, 60 Garden St, Cambridge, MA 02138 USA. EM tdelaney@cfa.harvard.edu; bgaensler@cfa.harvard.edu; arons@berkeley.edu; pivovaroff1@llnl.gov RI Gaensler, Bryan/F-8655-2010; Pivovaroff, Michael/M-7998-2014; OI Pivovaroff, Michael/0000-0001-6780-6816; Gaensler, Bryan/0000-0002-3382-9558 NR 50 TC 24 Z9 24 U1 0 U2 3 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD APR 1 PY 2006 VL 640 IS 2 BP 929 EP 940 DI 10.1086/500189 PN 1 PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 026RR UT WOS:000236360300032 ER PT J AU Gounelle, M Shu, FH Shang, H Glassgold, AE Rehm, KE Lee, T AF Gounelle, M Shu, FH Shang, H Glassgold, AE Rehm, KE Lee, T TI The irradiation origin of beryllium radioisotopes and other short-lived radionuclides SO ASTROPHYSICAL JOURNAL LA English DT Article DE cosmic rays; meteors, meteoroids; solar system : formation; stars : formation ID EARLY SOLAR-SYSTEM; EXTINCT RADIOACTIVITIES; REFRACTORY INCLUSIONS; ENERGETIC PARTICLES; ALLENDE METEORITE; RICH INCLUSION; COSMIC-RAYS; STARS; NUCLEOSYNTHESIS; NUCLIDES AB Two explanations exist for the short-lived radionuclides (T-1/2 <= 5 Myr) present in the solar system when the calcium-aluminum-rich inclusions (CAIs) first formed. They originated either from the ejecta of a supernova or by the in situ irradiation of nebular dust by energetic particles. With a half-life of only 53 days, Be-7 is then the key discriminant, since it can be made only by irradiation. Using the same irradiation model developed earlier by our group, we calculate the yield of Be-7. Within model uncertainties associated mainly with nuclear cross sections, we obtain agreement with the experimental value. Moreover, if Be-7 and Be-10 have the same origin, the irradiation time must be short ( a few to tens of years), and the proton flux must be of order F similar to 2 x 10(10) cm(-2) s(-1). The X-wind model provides a natural astrophysical setting that gives the requisite conditions. In the same irradiation environment, Al-26, Cl-36, and Mn-53 are also generated at the measured levels within model uncertainties, provided that irradiation occurs under conditions reminiscent of solar impulsive events ( steep energy spectra and high He-3 abundance). The decoupling of the Al-26 and Be-10 observed in some rare CAIs receives a quantitative explanation when rare gradual events (shallow energy spectra and low He-3 abundance) are considered. The yields of Ca-41 are compatible with an initial solar system value inferred from the measured initial Ca-41/Ca-40 ratio and an estimate of the thermal metamorphism time ( from Young et al.), alleviating the need for two-layer proto-CAIs. Finally, we show that the presence of supernova-produced Fe-60 in the solar accretion disk does not necessarily mean that other short-lived radionuclides have a stellar origin. C1 Nat Hist Museum, Impact & Astromat Res Ctr, Dept Mineral, London SW7 5BD, England. Univ Paris 11, Ctr Spectrometrie Nucl & Spectrometrie Masse, F-91405 Orsay, France. Natl Tsing Hua Univ, Hsinchu, Taiwan. Acad Sinica, Inst Astron & Astrophys, Taipei 115, Taiwan. Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. Acad Sinica, Inst Earth Sci, Taipei 115, Taiwan. RP Gounelle, M (reprint author), Museum Natl Hist Nat, Lab Etud Mat Extraterr, 57 Rue Cuvier, F-75005 Paris, France. RI Lee, Typhoon/N-8347-2013 NR 63 TC 77 Z9 77 U1 0 U2 11 PU UNIV CHICAGO PRESS PI CHICAGO PA 1427 E 60TH ST, CHICAGO, IL 60637-2954 USA SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD APR 1 PY 2006 VL 640 IS 2 BP 1163 EP 1170 DI 10.1086/500309 PN 1 PG 8 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 026RR UT WOS:000236360300054 ER PT J AU Fryer, CL Kusenko, A AF Fryer, CL Kusenko, A TI Effects of neutrino-driven kicks on the supernova explosion mechanism SO ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES LA English DT Article DE supernovae : general ID CORE-COLLAPSE SUPERNOVAE; WARM DARK-MATTER; PULSAR KICKS; STERILE NEUTRINOS; MAGNETIC-FIELDS; RUNAWAY STARS; MASSIVE STARS; 3 DIMENSIONS; CRAB NEBULA; RADIATION AB We show that neutrino-driven pulsar kicks can increase the energy of the supernova shock. The observed large velocities of pulsars are believed to originate in the supernova explosion, either from asymmetries in the ejecta or from an anisotropic emission of neutrinos ( or other light particles) from the cooling neutron star. In this paper we assume the velocities are caused by anisotropic neutrino emission and study the effects of these neutrino-driven kicks on the supernova explosion. We find that if the collapsed star is marginally unable to produce an explosion, the neutrino-driven mechanisms can drive the convection to make a successful explosion. The resultant explosion is asymmetric, with the strongest ejecta motion roughly in the direction of the neutron star kick. This is in sharp contrast with the ejecta-driven mechanisms, which predict the motion of the ejecta in the opposite direction. This difference can be used to distinguish between the two mechanisms based on the observations of the supernova remnants. C1 Univ Arizona, Dept Phys, Tucson, AZ 85721 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. RP Fryer, CL (reprint author), Univ Arizona, Dept Phys, Tucson, AZ 85721 USA. NR 57 TC 66 Z9 66 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0067-0049 EI 1538-4365 J9 ASTROPHYS J SUPPL S JI Astrophys. J. Suppl. Ser. PD APR PY 2006 VL 163 IS 2 BP 335 EP 343 DI 10.1086/500933 PG 9 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 034VG UT WOS:000236958100005 ER PT J AU Frankel, DJ Pfeiffer, JR Surviladze, Z Johnson, AE Oliver, JM Wilson, BS Burns, AR AF Frankel, DJ Pfeiffer, JR Surviladze, Z Johnson, AE Oliver, JM Wilson, BS Burns, AR TI Revealing the topography of cellular membrane domains by combined atomic force microscopy/fluorescence imaging SO BIOPHYSICAL JOURNAL LA English DT Article ID FC-EPSILON-RI; GPI-ANCHORED PROTEINS; FLUID MOSAIC MODEL; LIPID RAFTS; PLASMA-MEMBRANE; CHOLESTEROL; MICROSCOPY; CELLS; SURFACE; RESOLUTION AB Simultaneous atomic force microscopy (AFM) and confocal fluorescence imaging were used to observe in aqueous buffer the three-dimensional landscape of the inner surface of membrane sheets stripped from fixed tumor mast cells. The AFM images reveal prominent, irregularly shaped raised domains that label with fluorescent markers for both resting and activated immunoglobin E receptors (Fc epsilon RI), as well as with cholera toxin-aggregated GM1 and clathrin. The latter suggests that coated pits bud from these regions. These features are interspersed with flatter regions of membrane and are frequently surrounded and interconnected by cytoskeletal assemblies. The raised domains shrink in height by similar to 50% when cholesterol is extracted with methyl-beta-cyclodextrin. Based on composition, the raised domains seen by AFM correspond to the cholesterol-enriched dark patches observed in transmission electron microscopy (TEM). These patches were previously identified as sites of signaling and endocytosis based on their localization of activated FceRI, at least 10 associated signaling molecules, and the presence of clathrin-coated pits. Overall the data suggest that signaling and endocytosis occur in mast cells from raised membrane regions that depend on cholesterol for their integrity and may be organized in specific relationship with the cortical cytoskeleton. C1 Sandia Natl Labs, Biomol Mat & Interfaces Dept, Albuquerque, NM 87185 USA. Univ New Mexico, Dept Pathol, Albuquerque, NM 87131 USA. Univ New Mexico, Canc Res & Treatment Ctr, Albuquerque, NM 87131 USA. Texas A&M Univ, Sch Med, College Stn, TX 77843 USA. RP Burns, AR (reprint author), Sandia Natl Labs, Biomol Mat & Interfaces Dept, MS 1413, Albuquerque, NM 87185 USA. EM aburns@sandia.gov RI Johnson, Arthur/G-3457-2012 FU NIAID NIH HHS [R01 AI051575, R01 AI051575-02, R01AI051575]; NIGMS NIH HHS [P20GM66283, R01 GM049814, R01GM49814] NR 38 TC 51 Z9 53 U1 0 U2 20 PU BIOPHYSICAL SOCIETY PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814-3998 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD APR PY 2006 VL 90 IS 7 BP 2404 EP 2413 DI 10.1529/biophysj.105.073692 PG 10 WC Biophysics SC Biophysics GA 021GQ UT WOS:000235972100015 PM 16415053 ER PT J AU Kamila, J Roy, S Bhattacharjee, K Rout, B Dev, BN Guico, R Wang, J Haberl, AW Ayyub, P Satyam, PV AF Kamila, J. Roy, S. Bhattacharjee, K. Rout, B. Dev, B. N. Guico, R. Wang, J. Haberl, A. W. Ayyub, P. Satyam, P. V. TI Proton microbeam irradiation effects on PtBA polymer SO BULLETIN OF MATERIALS SCIENCE LA English DT Article DE ion micro-beam; pattern generation; PtBA polymer; Ge on polymers ID ASSEMBLED GE NANOSTRUCTURES; COATED SILICON; HEAVY-IONS; GROWTH; FILMS; ISLANDS AB Proton beam lithography has made it possible to make various types of 3D-structures in polymers. Usually PMMA, SU-8, PS polymers have been used as resist materials for lithographic purpose. Microbeam irradiation effects on poly-tert-butyl-acrylate (PtBA) polymer using 2.0 MeV proton microbeam are reported. Preliminary results on pattern formation on PtBA are carried out as a function of fluence. After writing the pattern, a thin layer of Ge is deposited. Distribution of Ge in pristine and ion beam patterned surface of PtBA polymer is studied using the optical and secondary electron microscopic experimental methods. C1 Inst Phys, Bhubaneswar 751005, Orissa, India. BJB Jr Coll, Dept Phys, Bhubaneswar 751014, Orissa, India. Louisiana Accelerator Ctr, Lafayette, LA 70504 USA. SUNY Albany, Dept Phys, Albany, NY 12222 USA. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. Tata Inst Fundamental Res, DCMP&MS, Bombay 400005, Maharashtra, India. RP Satyam, PV (reprint author), Inst Phys, Sachivalaya Marg, Bhubaneswar 751005, Orissa, India. EM satyam@iopb.res.in RI Ayyub, Pushan/E-6341-2011; Roy, Sumalay/F-5175-2014 OI Ayyub, Pushan/0000-0002-4423-9131; Roy, Sumalay/0000-0002-7203-167X NR 26 TC 2 Z9 2 U1 1 U2 6 PU INDIAN ACAD SCIENCES PI BANGALORE PA C V RAMAN AVENUE, SADASHIVANAGAR, P B #8005, BANGALORE 560 080, INDIA SN 0250-4707 J9 B MATER SCI JI Bull. Mat. Sci. PD APR PY 2006 VL 29 IS 2 BP 101 EP 105 DI 10.1007/BF02704600 PG 5 WC Materials Science, Multidisciplinary SC Materials Science GA 041FL UT WOS:000237439300001 ER PT J AU Malagnini, L Bodin, P Mayeda, K Akinci, A AF Malagnini, L Bodin, P Mayeda, K Akinci, A TI Unbiased moment-rate spectra and absolute site effects in the Kachchh Basin, India, from the analysis of the aftershocks of the 2001 M-w 7.6 Bhuj Earthquake SO BULLETIN OF THE SEISMOLOGICAL SOCIETY OF AMERICA LA English DT Article ID BAND REGIONAL SEISMOGRAMS; SEDIMENT-FILLED VALLEY; GROUND-MOTION; SOUTHERN CALIFORNIA; RESPONSE ESTIMATION; ENERGY; MAGNITUDES; DEPENDENCE AB What can be learned about absolute site effects on ground motions, with no geotechnical information available, in a very poorly instrumented region? In addition, can reliable source spectra be computed at a temporary deployment? These challenges motivated our current study of aftershocks of the 2001 M, 7.6 Bhuj earthquake, in western India, where we decouple the ambiguity between absolute source radiation and site effects by first computing robust estimates of coda-derived moment-rate spectra of about 200 aftershocks in each of two depth ranges. Crustal attenuation and spreading relationships, based on the same data used here, were determined in an an earlier study. Using our new estimates of source spectra, and our understanding of regional wave propagation, for direct S waves we isolate the absolute site terms for the stations of the temporary deployment. Absolute site terms for each station were determined in an average sense for the three components of the ground motion via an L-1-norm minimization. Results for each site were averaged over wide ranges of azimuths and incidence angles. The Bhuj deployment is characterized by a variable shallow geology, mostly of soft sedimentary units. Vertical site terms in the region were observed to be almost featureless (i.e., flat), with amplifications slightly < 1.0 within wide frequency ranges. As a result, the horizontal-to-vertical (H/V) spectral ratios observed at the deployment mimic the behavior of the corresponding absolute horizontal site terms, and they generally overpredict them. This differs significantly from results for sedimentary rock sites (limestone, dolomite) obtained by Malagnini et al. (2004) in northeastern Italy, where the H/V spectral ratios had little in common with the absolute horizontal site terms. Spectral ratios between the vector sum of the computed horizontal site terms for the temporary deployment with respect to the same quantity computed at the hardest rock station available, BAC1, are seriously biased by its nonflat, nonunitary site response. This indicates that, occasionally, the actual behavior of a rock outcrop may be far from that of an ideal, reference site (Steidl et al., 1996). C1 Inst Nazl Geofis & Vulcanol, I-00143 Rome, Italy. Univ Memphis, Ctr Earthquake Res & Informat, Memphis, TN 38152 USA. Lawrence Livermore Natl Lab, Ground Based Nucl Explos Monitoring Program, Livermore, CA 94551 USA. RP Malagnini, L (reprint author), Inst Nazl Geofis & Vulcanol, Via Vigna Murata 605, I-00143 Rome, Italy. EM malagnini@ingv.it; bodin@ceri.memphis.edu; mayeda2@llnl.gov; akinci@ingv.it NR 39 TC 10 Z9 10 U1 0 U2 2 PU SEISMOLOGICAL SOC AMER PI EL CERRITO PA PLAZA PROFESSIONAL BLDG, SUITE 201, EL CERRITO, CA 94530 USA SN 0037-1106 J9 B SEISMOL SOC AM JI Bull. Seismol. Soc. Amer. PD APR PY 2006 VL 96 IS 2 BP 456 EP 466 DI 10.1785/0120050089 PG 11 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 029WG UT WOS:000236594500008 ER PT J AU Liu, YZ Cheney, MD Gaudet, JJ Chruszcz, M Lukasik, SM Sugiyama, D Lary, J Cole, J Dauter, Z Minor, W Speck, NA Bushweller, JH AF Liu, YZ Cheney, MD Gaudet, JJ Chruszcz, M Lukasik, SM Sugiyama, D Lary, J Cole, J Dauter, Z Minor, W Speck, NA Bushweller, JH TI The tetramer structure of the Nervy homology two domain, NHR2, is critical for AM1/ETO's activity SO CANCER CELL LA English DT Article ID ACUTE MYELOID-LEUKEMIA; ACUTE PROMYELOCYTIC LEUKEMIA; TRANSCRIPTION FACTOR PU.1; HEMATOPOIETIC STEM-CELLS; AML1-ETO FUSION PROTEIN; GCN4 LEUCINE-ZIPPER; OLIGOMERIZATION DOMAIN; ADULT HEMATOPOIESIS; MONOMERIC PROTEINS; CRYSTAL-STRUCTURE AB AML1/ETO is the chimeric protein resulting from the t(8;21) in acute myeloid leukemia. The Nervy homology 2 (NHR2) domain in ETO mediates oligornerization and AML1/ETO's interactions with ETO, MTGR1, and MTG16, and with the corepressor molecules mSin3A and HDAC1 and HDAC3. We solved the NHR2 domain structure and found it to be an alpha-helical tetramer. We show that oligomerization contributes to AML1/ETO's inhibition of granulocyte differentiation, is essential for its ability to enhance the clonogenic potential of primary mouse bone marrow cells, and affects AML1/ETO's activity on several endogenous genes. Oligomerization is also required for AML1/ETO's interactions with ETO, MTGR1, and MTG16, but not with other corepressor molecules. C1 Dartmouth Coll Sch Med, Dept Biochem, Hanover, NH 03755 USA. Univ Virginia, Dept Mol Physiol & Biol Phys, Charlottesville, VA 22908 USA. Univ Virginia, Dept Chem, Charlottesville, VA 22906 USA. Univ Connecticut, Natl Analyt Ultracentifrugat Facil, Storrs, CT 06269 USA. Univ Connecticut, Dept Mol & Cell Biol, Storrs, CT 06269 USA. Brookhaven Natl Lab, Natl Canc Inst, Macromol Crystallog Lab, Upton, NY 11973 USA. RP Speck, NA (reprint author), Dartmouth Coll Sch Med, Dept Biochem, Hanover, NH 03755 USA. EM nancy.speck@dartmouth.edu; jhb4v@virginia.edu RI Cole, James/G-2586-2011; Chruszcz, Maksymilian/E-6407-2011; Minor, Wladek/F-3096-2014 FU NCI NIH HHS [CA 23108, R01 CA108056]; NIAMS NIH HHS [T32 AR07576]; NIGMS NIH HHS [T32 GM08704] NR 66 TC 65 Z9 72 U1 0 U2 2 PU CELL PRESS PI CAMBRIDGE PA 1100 MASSACHUSETTS AVE, CAMBRIDGE, MA 02138 USA SN 1535-6108 J9 CANCER CELL JI Cancer Cell PD APR PY 2006 VL 9 IS 4 BP 249 EP 260 DI 10.1016/j.ccr.2006.03.012 PG 12 WC Oncology; Cell Biology SC Oncology; Cell Biology GA 035WZ UT WOS:000237033700004 PM 16616331 ER PT J AU Gallego, NC Burchell, TD Klett, JW AF Gallego, NC Burchell, TD Klett, JW TI Irradiation effects on graphite foam SO CARBON LA English DT Article DE graphite; annealing; radiation damage; thermal diffusivity; thermal conductivity ID POLYCRYSTALLINE GRAPHITE; NEUTRON-IRRADIATION; DIMENSIONAL CHANGES AB The solid state reactor is an advanced reactor concept that takes advantage of newly developed materials with enhanced heat transfer characteristics to provide an inherently safe, self-regulated heat source. High conductivity graphite foam, developed and produced at Oak Ridge National Laboratory, is being evaluated as a candidate material for the core of basic heat source modules. Irradiation studies at the Oak Ridge National Laboratory High Flux Isotope Reactor were conducted to obtain preliminary data on the effects of neutron damage on the thermal properties and volume change behavior of the graphite foam as a function of neutron dose up to 2.6 displacements per atom at an irradiation temperature of similar to 740 degrees C. Samples were characterized for dimensional and structural changes, and thermal transport as a function of dose. Following the initial effects of the irradiation, the samples were annealed at 1000 and 1200 degrees C and the thermal diffusivity measured as a function of temperature. A simple microstructural model was developed for graphite foam and, by coupling this model to the known single crystal and polycrystalline irradiation behavior of graphite; a mechanism by which the irradiation-induced volume and dimensional changes in graphite foam may be explained is postulated. (c) 2005 Elsevier Ltd. All rights reserved. C1 Oak Ridge Natl Lab, Carbon Mat Technol Grp, Div Met & Ceram, Oak Ridge, TN 37831 USA. RP Gallego, NC (reprint author), Oak Ridge Natl Lab, Carbon Mat Technol Grp, Div Met & Ceram, Oak Ridge, TN 37831 USA. EM gallegonc@ornl.gov RI Burchell, Tim/E-6566-2017; Klett, James/E-6860-2017; OI Burchell, Tim/0000-0003-1436-1192; Klett, James/0000-0002-2553-9649; Gallego, Nidia/0000-0002-8252-0194 NR 14 TC 15 Z9 19 U1 1 U2 7 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0008-6223 J9 CARBON JI Carbon PD APR PY 2006 VL 44 IS 4 BP 618 EP 628 DI 10.1016/j.carbon.2005.09.038 PG 11 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 012FV UT WOS:000235324500003 ER PT J AU Keidar, M Raitses, Y Knapp, A Waas, AM AF Keidar, M Raitses, Y Knapp, A Waas, AM TI Current-driven ignition of single-wall carbon nanotubes SO CARBON LA English DT Letter DE carbon nanotubes; Arc discharge ID FLASH; EXPOSURE C1 Univ Michigan, Dept Aerosp Engn, Ann Arbor, MI 48109 USA. Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. Univ Michigan, Dept Mat Sci, Ann Arbor, MI 48109 USA. RP Keidar, M (reprint author), Univ Michigan, Dept Aerosp Engn, Ann Arbor, MI 48109 USA. EM keidar@umich.edu NR 4 TC 69 Z9 69 U1 2 U2 7 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0008-6223 J9 CARBON JI Carbon PD APR PY 2006 VL 44 IS 5 BP 1022 EP 1024 DI 10.1016/j.carbon.2005.10.008 PG 3 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 028BN UT WOS:000236460600030 ER PT J AU Roh, HS Wang, Y King, DL Platon, A Chin, YH AF Roh, HS Wang, Y King, DL Platon, A Chin, YH TI Low temperature and H-2 selective catalysts for ethanol steam reforming SO CATALYSIS LETTERS LA English DT Article DE H-2; ethanol steam reforming; acetaldehyde; Rh; CeO2-ZrO2 ID BIOMASS-DERIVED HYDROCARBONS; CARBONATE FUEL-CELL; HYDROGEN-PRODUCTION; THERMODYNAMIC ANALYSIS; NI-CE-ZRO2 CATALYSTS; METHANE; CO; CERIA; CE-ZRO2 AB Supported Rh catalysts have been developed for selective H-2 production at low temperatures. Ethanol dehydration is favorable over either acidic or basic supports such as gamma-Al2O3 and MgAl2O4, while ethanol dehydrogenation is more favorable over neutral supports. CeO2-ZrO2-supported Rh catalysts were found to be especially effective for hydrogen production. We focused on a support prepared by a co-precipitation method having composition Ce0.8Zr0.2O2. A 2%Rh/Ce0.8Zr0.2O2 catalyst, prepared via impregnation without pre-calcination of support, exhibited the highest H-2 yield at 450 degrees C among various supported Rh catalysts evaluated in this study. This may be due to both the strong interaction between Rh and Ce0.8Zr0.2O2 and the high oxygen transfer rate favoring reforming of acetaldehyde instead of methane production. C1 Pacific NW Natl Lab, Inst Interfacial Catalysis, Richland, WA 99354 USA. RP Wang, Y (reprint author), Pacific NW Natl Lab, Inst Interfacial Catalysis, POB 999, Richland, WA 99354 USA. EM yongwang@pnl.gov RI Wang, Yong/C-2344-2013 NR 33 TC 52 Z9 53 U1 0 U2 17 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1011-372X J9 CATAL LETT JI Catal. Lett. PD APR PY 2006 VL 108 IS 1-2 BP 15 EP 19 DI 10.1007/s10562-006-0021-2 PG 5 WC Chemistry, Physical SC Chemistry GA 026US UT WOS:000236368700004 ER PT J AU Dixit, NM Perelson, AS AF Dixit, NM Perelson, AS TI The metabolism, pharmacokinetics and mechanisms of antiviral activity of ribavirin against hepatitis C virus SO CELLULAR AND MOLECULAR LIFE SCIENCES LA English DT Review DE mutagenesis; treatment response; viral dynamics; mathematical model; monotherapy; combination therapy ID INTERFERON-ALPHA-2B PLUS RIBAVIRIN; PLACEBO-CONTROLLED TRIAL; COMBINATION THERAPY; ERROR CATASTROPHE; VIRAL DYNAMICS; RNA-POLYMERASE; IN-VIVO; PHOSPHORYLATED RIBAVIRIN; INITIAL TREATMENT; HOST INTERACTIONS AB Ribavirin, a broad spectrum antiviral agent, in conjunction with interferon forms the current standard of treatment for hepatitis C virus (HCV) infection in humans. While ribavirin alone fails to induce a significant antiviral response, in combination with interferon, ribavirin dramatically improves the long-term outcome of therapy. The predominant mechanism(s) of ribavirin action against HCV, are yet to be established. In this review, we examine the current status of our understanding of the metabolism, pharmacokinetics and mechanisms of the antiviral activity of ribavirin against HCV, all of which are central to the rational identification of improved treatment protocols. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Indian Inst Sci, Dept Chem Engn, Bangalore 560012, Karnataka, India. RP Perelson, AS (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM narendra@chemeng.iisc.ernet.in; asp@lanl.gov FU NCRR NIH HHS [RR06555] NR 97 TC 65 Z9 71 U1 0 U2 5 PU SPRINGER BASEL AG PI BASEL PA PICASSOPLATZ 4, BASEL, 4052, SWITZERLAND SN 1420-682X EI 1420-9071 J9 CELL MOL LIFE SCI JI Cell. Mol. Life Sci. PD APR PY 2006 VL 63 IS 7-8 BP 832 EP 842 DI 10.1007/s00018-005-5455-y PG 11 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 040DS UT WOS:000237359800008 PM 16501888 ER PT J AU Shadday, MA AF Shadday, MA TI A one-dimensional transient model of down-flow through a swelling packed porous bed SO CHEMICAL ENGINEERING SCIENCE LA English DT Article DE ion exchange; packed bed; modelling; transient response; swelling resin; wall friction ID PRESSURE-DROP; LIQUID-CHROMATOGRAPHY; PACKING MATERIALS; CAKE FILTRATION; COLUMN BEDS; FLUID-FLOW; COMPRESSION; CONSOLIDATION; DEFORMATION; PERFORMANCE AB A transient model of down-flow through an ion-exchange column in which the resin swells has been developed. The model is herein described and results are presented. Wall friction can lead to high bed stresses when the resin in columns with high length to diameter ratios swells. These stresses can lead to high and potentially excursive hydraulic pressure drops along a column. A non-dimensional grouping that effectively correlates the final steady-state hydraulic behavior of a column, with the resin compressibility and column geometric and flow parameters, has been determined. Published by Elsevier Ltd. C1 Westinghouse Savannah River Co, Savannah River Lab, Aiken, SC 29808 USA. RP Shadday, MA (reprint author), Westinghouse Savannah River Co, Savannah River Lab, Aiken, SC 29808 USA. EM martin.shadday@srs.gov NR 38 TC 4 Z9 4 U1 1 U2 4 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0009-2509 J9 CHEM ENG SCI JI Chem. Eng. Sci. PD APR PY 2006 VL 61 IS 8 BP 2688 EP 2700 DI 10.1016/j.ces.2005.11.041 PG 13 WC Engineering, Chemical SC Engineering GA 024JQ UT WOS:000236191700036 ER PT J AU Mundy, CJ Kuo, IFW AF Mundy, CJ Kuo, IFW TI First-principles approaches to the structure and reactivity of atmospherically relevant aqueous interfaces SO CHEMICAL REVIEWS LA English DT Review ID INITIO MOLECULAR-DYNAMICS; DENSITY-FUNCTIONAL THEORY; SUM-FREQUENCY GENERATION; LIQUID-VAPOR INTERFACE; TRANSFERABLE INTERACTION MODELS; STRATOSPHERIC OZONE DEPLETION; RAY-ABSORPTION SPECTROSCOPY; HISTOGRAM ANALYSIS METHOD; POTENTIAL-ENERGY SURFACE; HYDROCHLORIC-ACID IONIZATION C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. EM Mundy2@llnl.gov NR 244 TC 56 Z9 56 U1 0 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0009-2665 EI 1520-6890 J9 CHEM REV JI Chem. Rev. PD APR PY 2006 VL 106 IS 4 BP 1282 EP 1304 DI 10.1021/cr040375t PG 23 WC Chemistry, Multidisciplinary SC Chemistry GA 035HB UT WOS:000236990300008 PM 16608181 ER PT J AU Chang, TM Dang, LX AF Chang, TM Dang, LX TI Recent advances in molecular simulations of ion solvation at liquid interfaces SO CHEMICAL REVIEWS LA English DT Review ID AQUEOUS-ELECTROLYTE SOLUTIONS; POLARIZABLE POTENTIAL MODELS; SUM-FREQUENCY GENERATION; DYNAMICS COMPUTER-SIMULATIONS; AIR-WATER-INTERFACE; SURFACE-TENSION; VAPOR INTERFACE; VIBRATIONAL SPECTROSCOPY; SALT-SOLUTIONS; AIR/WATER INTERFACE C1 Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. Univ Wisconsin Parkside, Dept Chem, Kenosha, WI 53141 USA. RP Dang, LX (reprint author), Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. NR 186 TC 225 Z9 228 U1 4 U2 66 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0009-2665 J9 CHEM REV JI Chem. Rev. PD APR PY 2006 VL 106 IS 4 BP 1305 EP 1322 DI 10.1021/cr0403640 PG 18 WC Chemistry, Multidisciplinary SC Chemistry GA 035HB UT WOS:000236990300009 PM 16608182 ER PT J AU Garrett, BC Schenter, GK Morita, A AF Garrett, BC Schenter, GK Morita, A TI Molecular simulations of the transport of molecules across the liquid/vapor interface of water SO CHEMICAL REVIEWS LA English DT Review ID MASS ACCOMMODATION COEFFICIENT; TRANSFERABLE INTERACTION MODELS; TRAIN/FLOW REACTOR EXPERIMENT; TRANSITION-STATE THEORY; SULFURIC-ACID SURFACES; GAS-PHASE FLOW; AROMATIC-HYDROCARBON VAPORS; DENSITY-FUNCTIONAL THEORY; EFFECTIVE PAIR POTENTIALS; MONTE-CARLO SIMULATION C1 Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. Inst Mol Sci, Dept Computat Mol Sci, Okazaki, Aichi 4448585, Japan. RP Garrett, BC (reprint author), Pacific NW Natl Lab, Div Chem Sci, Richland, WA 99352 USA. EM bruce.garrett@pnl.gov RI Garrett, Bruce/F-8516-2011; Schenter, Gregory/I-7655-2014 OI Schenter, Gregory/0000-0001-5444-5484 NR 217 TC 85 Z9 87 U1 0 U2 42 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0009-2665 EI 1520-6890 J9 CHEM REV JI Chem. Rev. PD APR PY 2006 VL 106 IS 4 BP 1355 EP 1374 DI 10.1021/cr040370w PG 20 WC Chemistry, Multidisciplinary SC Chemistry GA 035HB UT WOS:000236990300011 PM 16608184 ER PT J AU Verdaguer, A Sacha, GM Bluhm, H Salmeron, M AF Verdaguer, A Sacha, GM Bluhm, H Salmeron, M TI Molecular structure of water at interfaces: Wetting at the nanometer scale SO CHEMICAL REVIEWS LA English DT Review ID ATOMIC-FORCE MICROSCOPY; SCANNING-TUNNELING-MICROSCOPY; AMORPHOUS SOLID WATER; THIN-FILM WATER; ASSEMBLED ALKANETHIOLATE MONOLAYERS; REFLECTION-ABSORPTION SPECTROSCOPY; FREQUENCY VIBRATIONAL SPECTROSCOPY; TEMPERATURE-PROGRAMMED DESORPTION; MODEL ELECTROCHEMICAL INTERFACES; ENERGY-ELECTRON DIFFRACTION C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Salmeron, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM salmeron@stm.lbl.gov RI Verdaguer, Albert/A-4303-2008; Gomez Monivas, Sacha/H-5611-2011 OI Verdaguer, Albert/0000-0002-4855-821X; Gomez Monivas, Sacha/0000-0003-2280-5021 NR 284 TC 317 Z9 323 U1 18 U2 249 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0009-2665 J9 CHEM REV JI Chem. Rev. PD APR PY 2006 VL 106 IS 4 BP 1478 EP 1510 DI 10.1021/cr040376l PG 33 WC Chemistry, Multidisciplinary SC Chemistry GA 035HB UT WOS:000236990300015 PM 16608188 ER PT J AU Chang, P Lee, SY Yan, YT AF Chang, P Lee, SY Yan, YT TI Symplectic mapping in systems with three-dimensional magnetic fields SO CHINESE JOURNAL OF PHYSICS LA English DT Article AB A differential algebraic integration algorithm is developed for symplectic particle mapping through three-dimensional (3D) magnetic field configurations. The algorithm employs a canonical transformation to eliminate the linear part of the Hamiltonian. This is equivalent to solving the equations of motion with a Lorentz force for a reference orbit. The new Hamiltonian is then Taylor expanded around the reference orbit. Making thin slices along the longitudinal coordinate and using differential algebras, one can calculate and store the energy-dependent reference orbit, the coordinate-dependent vector potential, and thus the Hamiltonian as well as the symplectic map in a Lie transformation form at each slice. The section map from the entrance to the exit in the 3D magnetic field structure is then concatenated through the slices. This procedure can be used to obtain particle transfer maps for insertion devices, solenoids, fringe fields of dipoles and quadruples, and other complicated magnetic configurations. C1 Natl Synchrotron Radiat Res Ctr, Hsinchu 30077, Taiwan. Indiana Univ, Dept Phys, Bloomington, IN 47405 USA. Stanford Linear Accelerator Ctr, Stanford, CA 94309 USA. RP Chang, P (reprint author), Natl Synchrotron Radiat Res Ctr, Hsinchu 30077, Taiwan. NR 10 TC 0 Z9 0 U1 0 U2 0 PU PHYSICAL SOC REPUBLIC CHINA PI TAIPEI PA CHINESE JOURNAL PHYSICS PO BOX 23-30, TAIPEI 10764, TAIWAN SN 0577-9073 J9 CHINESE J PHYS JI Chin. J. Phys. PD APR PY 2006 VL 44 IS 2 BP 150 EP 164 PG 15 WC Physics, Multidisciplinary SC Physics GA 036JY UT WOS:000237068600008 ER PT J AU Chen, JH Hawkes, ER Sankaran, R Mason, SD Im, HG AF Chen, JH Hawkes, ER Sankaran, R Mason, SD Im, HG TI Direct numerical simulation of ignition front propagation in a constant volume with temperature inhomogeneities - I. Fundamental analysis and diagnostics SO COMBUSTION AND FLAME LA English DT Article DE ignition; direct numerical simulation; HCCI; multizone model ID TURBULENT COMBUSTION; AUTOIGNITION AB The influence of thermal stratification on autoignition at constant volume and high pressure is studied by direct numerical simulation (DNS) with detailed hydrogen/air chemistry with a view to providing better understanding and modeling of combustion processes in homogeneous charge compression-ignition engines. Numerical diagnostics are developed to analyze the mode of combustion and the dependence of overall ignition progress on initial mixture conditions. The roles of dissipation of heat and mass are divided conceptually into transport within ignition fronts and passive scalar dissipation, which modifies the statistics of the preignition temperature field. Transport within ignition fronts is analyzed by monitoring the propagation speed of ignition fronts using the displacement speed of a scalar that tracks the location of maximum heat release rate. The prevalence of deflagrative versus spontaneous ignition front propagation is found to depend on the local temperature gradient, and may be identified by the ratio of the instantaneous front speed to the lanninar deflagration speed. The significance of passive scalar mixing is examined using a mixing timescale based on enthalpy fluctuations. Finally, the predictions of the multizone modeling strategy are compared with the DNS, and the results are explained using the diagnostics developed. (c) 2005 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 Sandia Natl Labs, Reacting Flow Res Dept, Combust Res Facil, Livermore, CA 94551 USA. Lockheed Martin Corp, Sunnyvale, CA 94089 USA. Univ Michigan, Dept Mech Engn, Ann Arbor, MI 48109 USA. RP Hawkes, ER (reprint author), Sandia Natl Labs, Reacting Flow Res Dept, Combust Res Facil, POB 969,MS 9051, Livermore, CA 94551 USA. EM erhawke@ca.sindia.gov RI Im, Hong/J-4317-2012; Sankaran, Ramanan/D-9254-2015; Hawkes, Evatt/C-5307-2012 OI Sankaran, Ramanan/0000-0002-5352-9915; Hawkes, Evatt/0000-0003-0539-7951 NR 26 TC 98 Z9 100 U1 2 U2 17 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 J9 COMBUST FLAME JI Combust. Flame PD APR PY 2006 VL 145 IS 1-2 BP 128 EP 144 DI 10.1016/j.combustflame.200.09.017 PG 17 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 031RP UT WOS:000236722000009 ER PT J AU Hawkes, ER Sankaran, R Pebay, PP Chen, JH AF Hawkes, ER Sankaran, R Pebay, PP Chen, JH TI Direct numerical simulation of ignition front propagation in a constant volume with temperature inhomogeneities - II. Parametric study SO COMBUSTION AND FLAME LA English DT Article DE ignition; direct numerical simulation; HCCI; multizone model ID TURBULENT COMBUSTION AB The influence of thermal stratification on autoignition at constant Volume and high pressure is studied by direct numerical simulation (DNS) with detailed hydroggerdair chemistry. Parametric studies on the effect of the initial amplitude of the temperature fluctuations, the initial length scales of the temperature and velocity fluctuations, and the turbulence intensity are performed. The combustion mode is characterized using the diagnostic measures developed in Part I of this study. Specifically, the ignition front speed and the scalar mixing timescales are used to identify the roles of molecular diffusion and heat conduction in each case. Predictions from a multizone model initialized from the DNS fields are presented and differences are explained using the diagnostic tools developed. (c) 2005 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 Sandia Natl Labs, Combust Res Facil, Reacting Flow Res Dept, Livermore, CA 94551 USA. RP Hawkes, ER (reprint author), Sandia Natl Labs, Combust Res Facil, Reacting Flow Res Dept, POB 969,MS 9051, Livermore, CA 94551 USA. EM erhawke@ca.sandia.gov RI Sankaran, Ramanan/D-9254-2015; Hawkes, Evatt/C-5307-2012; OI Sankaran, Ramanan/0000-0002-5352-9915; Hawkes, Evatt/0000-0003-0539-7951; Pebay, Philippe/0000-0002-2311-3775 NR 17 TC 56 Z9 58 U1 2 U2 11 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0010-2180 J9 COMBUST FLAME JI Combust. Flame PD APR PY 2006 VL 145 IS 1-2 BP 145 EP 159 DI 10.1016/j.combustflame.2005.09.018 PG 15 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 031RP UT WOS:000236722000010 ER PT J AU Singer, MA Pope, SB Najm, HN AF Singer, MA Pope, SB Najm, HN TI Operator-splitting with ISAT to model reacting flow with detailed chemistry SO COMBUSTION THEORY AND MODELLING LA English DT Article DE operator splitting; ISAT; projection; tabulation; flame ID SEMIIMPLICIT NUMERICAL SCHEME; SITU ADAPTIVE TABULATION; CHEMICAL-KINETICS; PREMIXED FLAMES; COMBUSTION; EQUATIONS; PRISM; STIFF; IMPLEMENTATION; SIMULATIONS AB We further increase the computational performance of an operator-split projection scheme for the solution of the equations governing reacting flows with detailed chemistry. This enhancement is achieved by using in situ adaptive tabulation (ISAT) to compute the pure reaction sub-steps; the treatment of diffusion and convection is unchanged. The modified scheme is applied to an unsteady one-dimensional laminar premixed methane-air flame problem using detailed GRIMech3.0 chemical kinetics. For this problem we demonstrate second-order temporal convergence, investigate the impact of the ISAT error tolerance on solution accuracy, and compare results with and without ISAT. Computational performance is also examined where we observe a reaction sub-step speed-up factor due to ISAT of approximately 13; the overall time step speed-up is approximately 7.5. Extension of the scheme to multiple dimensions is discussed. C1 Cornell Univ, Ctr Appl Math, Ithaca, NY 14853 USA. Cornell Univ, Sibley Sch Mech & Aerosp Engn, Ithaca, NY 14853 USA. Sandia Natl Labs, Combust Res Facil, Livermore, CA USA. RP Singer, MA (reprint author), Cornell Univ, Ctr Appl Math, Ithaca, NY 14853 USA. EM singer@cam.cornell.edu RI Pope, Stephen/F-6268-2011 OI Pope, Stephen/0000-0001-5629-0420 NR 32 TC 30 Z9 33 U1 0 U2 9 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1364-7830 J9 COMBUST THEOR MODEL JI Combust. Theory Model. PD APR PY 2006 VL 10 IS 2 BP 199 EP 217 DI 10.1080/13647830500307501 PG 19 WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Mathematics, Interdisciplinary Applications SC Thermodynamics; Energy & Fuels; Engineering; Mathematics GA 055LN UT WOS:000238452300001 ER PT J AU Kapila, AK Bdzil, JB Stewart, DS AF Kapila, A. K. Bdzil, J. B. Stewart, D. S. TI On the structure and accuracy of programmed burn SO COMBUSTION THEORY AND MODELLING LA English DT Article DE programmed burn; pseudo reaction zone; subscale detonation model ID DETONATION SHOCK DYNAMICS AB Accurate computation of the evolution of a (typically curved) detonation front in a complex geometry, and of the state behind it, is a practical problem in the design of devices that use high-energy explosives. Direct numerical simulations are infeasible: accuracy demands high resolution of the smallest scale (the reaction zone), which is typically several orders of magnitude smaller than the device scale. Programmed burn is an engineering alternative that has been shown to produce acceptable results at a fraction of the cost. The underlying algorithm prescribes the trajectory of the detonation front a priori and replaces the actual reaction zone by a mock up that is a few computational cells thick and in which the reaction rate is taken to be a constant. The state of the explosive at the end of the reaction zone is thereby computed at a relatively modest cost, and the bulk of the computational effort is reserved for the region behind the reaction zone wherein the products of detonation perform useful work. The reasons for the remarkable fidelity to which the physical situation is captured by the programmed burn are not well-understood. This investigation, aimed at achieving such an understanding, considers a model problem for a steady, curved detonation propagating down a rate stick. It examines the pseudoreaction-zone structure of the programmed burn, studies the sensitivity of the state of the reaction products to the choice of the reaction zone length, and compares the results to those for the actual, physical reaction zone. Conclusions are drawn as to the causes behind the success of the programmed-burn algorithm. The analysis is based on the asymptotic limits of small front curvature and small departures from the Chapman-Jouguet speed. Results are presented for ideal as well as nonideal explosives. C1 Rensselaer Polytech Inst, Troy, NY 12181 USA. Los Alamos Natl Lab, Los Alamos, NM USA. Univ Illinois, Urbana, IL 61801 USA. RP Kapila, AK (reprint author), Rensselaer Polytech Inst, Troy, NY 12181 USA. EM kapila@rpi.edu NR 13 TC 6 Z9 6 U1 0 U2 3 PU TAYLOR & FRANCIS LTD PI ABINGDON PA 4 PARK SQUARE, MILTON PARK, ABINGDON OX14 4RN, OXON, ENGLAND SN 1364-7830 J9 COMBUST THEOR MODEL JI Combust. Theory Model. PD APR PY 2006 VL 10 IS 2 BP 289 EP 321 DI 10.1080/13647830500436540 PG 33 WC Thermodynamics; Energy & Fuels; Engineering, Chemical; Mathematics, Interdisciplinary Applications SC Thermodynamics; Energy & Fuels; Engineering; Mathematics GA 055LN UT WOS:000238452300006 ER PT J AU Eyink, GL AF Eyink, Gregory L. TI Turbulent cascade of circulations SO COMPTES RENDUS PHYSIQUE LA English DT Article; Proceedings Paper CT Conference on Statistical Mechanics of Non-Extensive Systems CY OCT 24-25, 2005 CL Paris, FRANCE SP Paris Observatory DE turbulence; circulation; enter equations; Kelvin theorem ID ENERGY-DISSIPATION; FLUID; EULER; INTEGRATION; DISPERSION; EQUATIONS AB The circulation around any closed loop is a Lagrangian invariant for classical, smooth solutions of the incompressible Euler equations in any number of space dimensions. However, singular solutions relevant to turbulent flows need not preserve the classical integrals of motion. Here we generalize the Kelvin theorem on conservation of circulations to distributional solutions of Euler and give necessary conditions for the anomalous dissipation of circulations. We discuss the important role of Kelvin's theorem in turbulent vortex-stretching dynamics and conjecture a version of the theorem which may apply to suitable singular solutions. C1 Los Alamos Natl Lab, CNLS, Los Alamos, NM 87545 USA. Johns Hopkins Univ, Dept Appl Math & Stat, Baltimore, MD 21210 USA. RP Eyink, GL (reprint author), Los Alamos Natl Lab, CNLS, Los Alamos, NM 87545 USA. EM eyinl@ams.jhu.edu NR 25 TC 8 Z9 8 U1 0 U2 0 PU ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER PI PARIS PA 23 RUE LINOIS, 75724 PARIS, FRANCE SN 1631-0705 J9 CR PHYS JI C. R. Phys. PD APR-MAY PY 2006 VL 7 IS 3-4 BP 449 EP 455 DI 10.1016/j.crhy.2006.01.008 PG 7 WC Astronomy & Astrophysics; Physics, Multidisciplinary SC Astronomy & Astrophysics; Physics GA 073NN UT WOS:000239750000018 ER PT J AU Rapaport, DC AF Rapaport, DC TI Multibillion-atom molecular dynamics simulation: Design considerations for vector-parallel processing SO COMPUTER PHYSICS COMMUNICATIONS LA English DT Article DE molecular dynamics simulation; supercomputer; vector processing; parallel processing; algorithm; performance evaluation ID PARTICLES AB Progress in adapting molecular dynamics algorithms for systems with short-range interactions to utilize the features of modem supercomputers is described. Efficient utilization of the latest generation of processor architectures requires algorithms that can be both vectorized and parallelized. The approach adopted for vectorization involves combining the layer and neighbor-list methods, while parallelization employs spatial subdivision with explicit communication. The techniques presented here have been used in performance tests on the Cray X1 vector-parallel supercomputer with systems containing over 12 billion atoms. (C) 2005 Elsevier B.V. All rights reserved. C1 Bar Ilan Univ, Dept Phys, IL-52900 Ramat Gan, Israel. Oak Ridge Natl Lab, Ctr Engn Sci Adv Res, Oak Ridge, TN 37831 USA. RP Rapaport, DC (reprint author), Bar Ilan Univ, Dept Phys, IL-52900 Ramat Gan, Israel. EM rapaport@mail.biu.ac.il NR 9 TC 8 Z9 8 U1 0 U2 1 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 APR 1 PY 2006 VL 174 IS 7 BP 521 EP 529 DI 10.1016/j.cpc.2005.11.008 PG 9 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 028OG UT WOS:000236497000001 ER PT J AU Gibson, JK Marcalo, J AF Gibson, John K. Marcalo, Joaquim TI New developments in gas-phase actinide ion chemistry SO COORDINATION CHEMISTRY REVIEWS LA English DT Review DE actinides; gas phase; ion chemistry; thermochemistry ID COLLISION-INDUCED DISSOCIATION; IONIZATION MASS-SPECTROMETRY; LASER-INDUCED FLUORESCENCE; BANDPASS REACTION CELL; ELECTROSPRAY-IONIZATION; ICP-MS; URANYL; URANIUM; OXIDE; COMPLEXES AB In this review, recent progress in the study of the chemistry of actinide ions in the gas phase is summarized. The new results, obtained using various mass spectrometric techniques, encompass reactivity studies of bare and ligated actinide ions with inorganic and organic molecules, thermochemical studies of neutral and ionic actinide oxides, and solvation studies of ionic actinide species. A few examples of the implications of this fundamental research to other aspects of actinide chemistry are presented. Potential future work in this area is briefly discussed. (c) 2005 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. Inst Tecnol & Nucl, Dept Quim, P-2686953 Sacavem, Portugal. RP Gibson, JK (reprint author), Oak Ridge Natl Lab, Div Chem Sci, POB 2008, Oak Ridge, TN 37831 USA. EM gibsonjk@ornl.gov; jmarcalo@itn.pt RI Marcalo, Joaquim/J-5476-2013; PTMS, RNEM/C-1589-2014 OI Marcalo, Joaquim/0000-0001-7580-057X; NR 60 TC 43 Z9 43 U1 3 U2 28 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0010-8545 J9 COORDIN CHEM REV JI Coord. Chem. Rev. PD APR PY 2006 VL 250 IS 7-8 BP 776 EP 783 DI 10.1016/j.ccr.2005.09.011 PG 8 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 041OR UT WOS:000237466000005 ER EF