FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Abulencia, A Errede, D Gerberich, H Junk, T Kasten, M Levine, S Mokos, R Pitts, K Rogers, E Veramendi, G Azzurri, P Donati, S Dittmann, JR Hewamanage, S Krumnack, N Wilson, JS Erbacher, R Forrest, R Ivanov, A Lister, A Soha, A Fedorko, I Giokaris, N Staveris-Polykalas, A Cochran, E Efron, J Gartner, J Hughes, R Johnson, M Kilmninster, B Lannon, K McKim, J Olivito, D Parks, B Slaunwhite, J Winer, B Flanagan, G Jones, T Holm, S Klein, R Schmidt, EE Scott, L Shaw, T Wilson, PJ AF Abulencia, A. Errede, D. Gerberich, H. Junk, T. Kasten, M. Levine, S. Mokos, R. Pitts, K. Rogers, E. Veramendi, G. Azzurri, P. Donati, S. Dittmann, J. R. Hewamanage, S. Krumnack, N. Wilson, J. S. Erbacher, R. Forrest, R. Ivanov, A. Lister, A. Soha, A. Fedorko, I. Giokaris, N. Staveris-Polykalas, A. Cochran, E. Efron, J. Gartner, J. Hughes, R. Johnson, M. Kilmninster, B. Lannon, K. McKim, J. Olivito, D. Parks, B. Slaunwhite, J. Winer, B. Flanagan, G. Jones, T. Holm, S. Klein, R. Schmidt, E. E. Scott, L. Shaw, T. Wilson, P. J. TI The CDF II eXtremely Fast Tracker Upgrade SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th International Vienna Conference on Instrumentation CY FEB 19-24, 2007 CL Vienna, AUSTRIA SP Austrian Fed Minist Educ, Sci & Culture, Austrian Fed Minist Transport, Innovat & Technol, Vienna Convent Bur DE CDF; XFT; online track processor; trigger AB The CDF II eXtremely Fast Tracker (XFT) is the trigger processor which reconstructs charged particle tracks in the CDF II central outer tracking chamber. The XFT tracks are also extrapolated to the electromagnetic calorimeter and muon chambers and are associated to electromagnetic clusters and muon stubs to generate trigger electron and muon candidates. The steady increase of the Tevatron instantaneous luminosity and the resulting higher occupancy of the chamber demanded an upgrade of the original system, which performed tracking only in the transverse plane of the chamber and was consequently affected by a significant level of fake tracks. In the upgraded XFT, tracking is reinforced by using additional data from the stereo layers of the chamber to reduce the level of fake tracks and to perform three-dimensional track reconstruction. A review of this upgrade is presented. (C) 2007 Elsevier B.V. All rights reserved. C1 Univ Pisa, Inst Natl Fis Nuclear Pisa, Siena & Scuola Normal Superiore, I-56127 Pisa, Italy. Univ Illinois, Urbana, IL 61801 USA. Baylor Univ, Waco, TX 76798 USA. Univ Calif Davis, Davis, CA 95616 USA. Natl & Capodistrian Univ Athens, Athens 10679, Greece. Ohio State Univ, Columbus, OH 43210 USA. Purdue Univ, W Lafayette, IN 47907 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Donati, S (reprint author), Univ Pisa, Inst Natl Fis Nuclear Pisa, Siena & Scuola Normal Superiore, I-56127 Pisa, Italy. EM simone.donati@pi.infn.it RI Ivanov, Andrew/A-7982-2013 OI Ivanov, Andrew/0000-0002-9270-5643 NR 3 TC 0 Z9 0 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD OCT 21 PY 2007 VL 581 IS 1-2 BP 482 EP 484 DI 10.1016/j.nima.2007.08.032 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 232SG UT WOS:000251039100105 ER PT J AU Buehler, M Anderson, J Angstadt, R Babukhadia, L Bhattacharjee, M Blazey, G Boeriu, O Borcherding, F Connolly, B Cooke, M Corcoran, M Desai, S Evans, D Gershtein, Y Grannis, P Grunendahl, S Han, L Hazen, E Heintz, U Hensel, C Hildreth, M Hoeth, H Hu, Y Jabeen, S Jain, V Johnson, M Khalatian, S Khalatyan, N Lincoln, D Linn, S Liu, YW Lizarazo, J Mackin, D Maravin, Y Martin, M Mommsen, RK Mutaf, Y Narain, M Noding, C Olsen, J Padley, P Pangilinan, M Partridge, R Ramirez-Gomez, R Rapisarda, S Stevenson, K Tomoto, M Vachon, B Wijnen, T Wilcer, N Wilson, G Wu, SX Wyatt, T Xu, QC Yip, K AF Buehler, Marc Anderson, John Angstadt, Robert Babukhadia, Levan Bhattacharjee, Mrinmoy Blazey, Gerald Boeriu, Oana Borcherding, Fred Connolly, Brian Cooke, Michael Corcoran, Marjorie Desai, Satish Evans, David Gershtein, Yuri Grannis, Paul Gruenendahl, Stefan Han, Liang Hazen, Eric Heintz, Ulrich Hensel, Carsten Hildreth, Mike Hoeth, Hendrik Hu, Yuan Jabeen, Shabnam Jain, Vivek Johnson, Marvin Khalatian, Samvel Khalatyan, Norik Lincoln, Don Linn, Stephan Liu, Yanwen Lizarazo, Juan Mackin, Dennis Maravin, Yurii Martin, Manuel Mommsen, Remigius K. Mutaf, Yildirim Narain, Meenakshi Noeding, Carsten Olsen, Jamieson Padley, Paul Pangilinan, Monica Partridge, Richard Ramirez-Gomez, Ricardo Rapisarda, Stefano Stevenson, Kyle Tomoto, Makoto Vachon, Brigitte Wijnen, Thei Wilcer, Neal Wilson, Graham Wu, Shouxiang Wyatt, Terry Xu, Qichun Yip, Kin TI Upgrade and operation of the DO central track trigger SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article; Proceedings Paper CT 11th International Vienna Conference on Instrumentation CY FEB 19-24, 2007 CL Vienna, AUSTRIA SP Austrian Fed Minist Educ, Sci & Culture, Austrian Fed Minist Transport, Innovat & Technol, Vienna Convent Bur DE track trigger; DO trigger upgrade AB The DO experiment at the Fermilab pp Tevatron collider (Batavia, IL, USA) has undergone significant upgrades in anticipation of high luminosity running conditions. As part of the upgrade, the capabilities of the Central Track Trigger (CTT) to make trigger decisions based on hit patterns in the Central Fiber Tracker (CFT) have been much improved. We report on the implementation, commissioning and operation of the upgraded CTT system. Published by Elsevier B.V. C1 Univ Virginia, Charlottesville, VA 22904 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. SUNY Stony Brook, Stony Brook, NY 11794 USA. No Illinois Univ, NICADD, De Kalb, IL 60115 USA. Univ Notre Dame, Notre Dame, IN 46556 USA. Florida State Univ, Tallahassee, FL 32306 USA. Rice Univ Houston, TW Bonner Nuclear Lab, Houston, TX 77251 USA. Univ Lancaster, Lancaster LA1 4YW, England. Brown Univ, Providence, RI USA. Univ Sci & Technol China, Hefei, Peoples R China. Boston Univ, Boston, MA 02215 USA. Univ Kansas, Lawrence, KS 66045 USA. Berg Univ Wuppertal, D-42097 Wuppertal, Germany. Brookhaven Natl Lab, Upton, NY 11973 USA. Univ Los Andes, Bogota, Colombia. Univ Manchester, Manchester M13 9PL, Lancs, England. Univ Freiburg, D-79005 Freiburg, Germany. Indiana Univ, Bloomington, IN 47405 USA. Radboud Univ Nijmegen, NL-6525 ED Nijmegen, Netherlands. Univ Michigan, Ann Arbor, MI 48109 USA. RP Buehler, M (reprint author), Univ Virginia, Charlottesville, VA 22904 USA. EM buehler@fnal.gov RI Yip, Kin/D-6860-2013 OI Yip, Kin/0000-0002-8576-4311 NR 4 TC 0 Z9 0 U1 1 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD OCT 21 PY 2007 VL 581 IS 1-2 BP 495 EP 498 DI 10.1016/j.nima.2007.08.033 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 232SG UT WOS:000251039100107 ER PT J AU Tang, QL Zeng, GSL Gullberg, GT AF Tang, Qiulin Zeng, Gengsheng L. Gullberg, Grant T. TI A Fourier reconstruction algorithm with constant attenuation compensation using 180 degrees acquisition data for SPECT SO PHYSICS IN MEDICINE AND BIOLOGY LA English DT Article ID EXPONENTIAL RADON-TRANSFORM; EMISSION COMPUTED-TOMOGRAPHY; IMAGE-RECONSTRUCTION; INVERSION AB In this paper, we develop an approximate analytical reconstruction algorithm that compensates for uniform attenuation in 2D parallel-beam SPECT with a 180 degrees acquisition. This new algorithm is in the form of a direct Fourier reconstruction. The complex variable central slice theorem is used to derive this algorithm. The image is reconstructed with the following steps: first, the attenuated projection data acquired over 180 degrees are extended to 360 degrees and the value for the uniform attenuator is changed to a negative value. The Fourier transform ( FT) of the image in polar coordinates is obtained from the Fourier transform of an analytic function interpolated from an extension of the projection data according to the complex central slice theorem. Finally, the image is obtained by performing a 2D inverse Fourier transform. Computer simulations and comparison studies with a 360 degrees full-scan algorithm are provided. C1 Univ Utah, Dept Phys, Salt Lake City, UT 84112 USA. Univ Utah, Dept Radiol, Salt Lake City, UT 84108 USA. E O Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Tang, QL (reprint author), Princess Margaret Hosp, Radiat Med Program, 610 Univ Ave, Toronto, ON M5G 2M9, Canada. EM tangql@physics.utah.edu; larry@ucair.med.utah.edu; gtgullberg@lbl.gov FU NCI NIH HHS [R21 CA 100181, R21 CA100181]; NIBIB NIH HHS [R33 EB001489, R01 EB000121, R01 EB 00121] NR 14 TC 3 Z9 3 U1 0 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0031-9155 J9 PHYS MED BIOL JI Phys. Med. Biol. PD OCT 21 PY 2007 VL 52 IS 20 BP 6165 EP 6179 DI 10.1088/0031-9155/52/20/006 PG 15 WC Engineering, Biomedical; Radiology, Nuclear Medicine & Medical Imaging SC Engineering; Radiology, Nuclear Medicine & Medical Imaging GA 224JN UT WOS:000250443400006 PM 17921578 ER PT J AU Conroy, C Wechsler, RH Kravtsov, AV AF Conroy, Charlie Wechsler, Risa H. Kravtsov, Andrey V. TI The hierarchical build-up of massive galaxies and the intracluster light since z=1 SO ASTROPHYSICAL JOURNAL LA English DT Article DE cosmology : theory; dark matter; galaxies : clusters : general; galaxies : evolution; galaxies : halos; galaxies : luminosity function, mass function ID BRIGHTEST CLUSTER GALAXIES; DIGITAL SKY SURVEY; HALO OCCUPATION DISTRIBUTION; DIFFUSE OPTICAL LIGHT; LUMINOUS RED GALAXIES; N-BODY SIMULATIONS; STELLAR MASS; ELLIPTIC GALAXIES; FIELD GALAXIES; STAR-FORMATION AB We use a set of simulation-based models for the dissipationless evolution of galaxies since z = 1 to constrain the fate of accreted satellites embedded in dark matter subhalos. These models assign stellar mass to dark matter halos at z = 1 by relating the observed galaxy stellar mass function (GSMF) to the halo + subhalo mass function monotonically. The evolution of the stellar mass content is then followed using halo merger trees extracted from N-body simulations. Our models are differentiated only in the fate assigned to satellite galaxies once subhalos, within which satellites are embedded, disrupt. These models are confronted with the observed evolution in the massive end of the GSMF, the z similar to 0 brightest cluster galaxy (BCG) to cluster mass relation, and the combined BCG and intracluster light (ICL) luminosity distribution -all observables expected to evolve approximately dissipationlessly since z = 1. The combined observational constraints favor a model in which the vast majority (greater than or similar to 80%) of satellite stars from disrupted subhalos go into the ICL (operationally defined here as light below a surface brightness cut of mu(i) approximate to 23 mag arcsec(-2)). Conversely, models that leave behind a significant population of satellite galaxies once the subhalo has disrupted are strongly disfavored, as are models that put a significant fraction of satellite stars into the BCG. Our results show that observations of the ICL provide useful and unique constraints on models of galaxy merging and the dissipationless evolution of galaxies in groups and clusters. C1 Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. Stanford Univ, Dept Phys, Kavli Inst Particle Astrophys & Cosmol, Stanford, CA 94305 USA. Stanford Univ, Stanford Linear Accelerator Ctr, Stanford, CA 94305 USA. Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. Kavli Inst Cosmol Phys, Dept Astron & Astrophys, Chicago, IL 60637 USA. RP Conroy, C (reprint author), Princeton Univ, Dept Astrophys Sci, Peyton Hall, Princeton, NJ 08544 USA. NR 89 TC 124 Z9 126 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 OCT 20 PY 2007 VL 668 IS 2 BP 826 EP 838 DI 10.1086/521425 PN 1 PG 13 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 219KF UT WOS:000250082800017 ER PT J AU Townsley, DM Calder, AC Asida, SM Seitenzahl, IR Peng, F Vladimirova, N Lamb, DQ Truran, JW AF Townsley, D. M. Calder, A. C. Asida, S. M. Seitenzahl, I. R. Peng, F. Vladimirova, N. Lamb, D. Q. Truran, J. W. TI Flame evolution during Type Ia supernovae and the deflagration phase in the gravitationally confined detonation scenario SO ASTROPHYSICAL JOURNAL LA English DT Article DE hydrodynamics; nuclear reactions, nucleosynthesis, abundances; supernovae : general; white dwarfs ID OFF-CENTER IGNITION; DELAYED-DETONATION; WHITE-DWARF; THERMONUCLEAR SUPERNOVAE; CARBON IGNITION; MODEL; PROPAGATION; EXPLOSION; SIMULATIONS; CODE AB We develop an improved method for tracking the nuclear flame during the deflagration phase of a Type Ia supernova and apply it in a study of the variation in outcomes expected from the gravitationally confined detonation (GCD) paradigm. A simplified three-stage burning model and a nonstatic ash state are integrated with an artificially thickened advection-diffusion-reaction (ADR) flame front in order to provide an accurate but highly efficient representation of the energy release and electron capture in and after the unresolvable flame. We demonstrate that neither our ADR nor our energy release methods generate significant acoustic noise, as has been a problem with previous ADR-based schemes. We proceed to model aspects of the deflagration, particularly the role of buoyancy of the hot ash, and find that our methods are reasonably well behaved with respect to numerical resolution. We show that if a detonation occurs in material swept up by the material ejected by the first rising bubble but gravitationally confined to the white dwarf (WD) surface ( the GCD paradigm), the density structure of the WD at detonation is systematically correlated with the distance of the deflagration ignition point from the center of the star. Coupled to a suitably stochastic ignition process, this correlation may provide a plausible explanation for the variety of nickel masses seen in Type Ia supernovae. C1 Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. Univ Chicago, Joint Inst Nucl Astrophys, Chicago, IL 60637 USA. Univ Chicago, Ctr Astrophys Thermonucl Flashes, Chicago, IL 60637 USA. SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. Hebrew Univ Jerusalem, Racah Inst Phys, IL-91904 Jerusalem, Israel. Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. CALTECH, Pasadena, CA 91125 USA. Argonne Natl Lab, Argonne, IL 60439 USA. RP Townsley, DM (reprint author), Univ Chicago, Dept Astron & Astrophys, 5640 S Ellis Ave, Chicago, IL 60637 USA. RI Calder, Alan/E-5348-2011; OI Seitenzahl, Ivo/0000-0002-5044-2988 NR 37 TC 44 Z9 44 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 OCT 20 PY 2007 VL 668 IS 2 BP 1118 EP 1131 DI 10.1086/521013 PN 1 PG 14 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 219KF UT WOS:000250082800040 ER PT J AU Liu, SM Qian, L Wu, XB Fryer, CL Li, H AF Liu, Siming Qian, Lei Wu, Xue-Bing Fryer, Christopher L. Li, Hui TI The nature of linearly polarized millimeter and submillimeter emission in Sagittarius A SO ASTROPHYSICAL JOURNAL LA English DT Article DE acceleration of particles; black hole physics; Galaxy : center; plasmas; radiation mechanisms : thermal; turbulence ID SUPERMASSIVE BLACK-HOLE; NEAR-INFRARED FLARES; GALACTIC-CENTER; X-RAY; CIRCULAR-POLARIZATION; RADIO-EMISSION; ACCRETION FLOW; SPECTRAL INDEX; MILKY-WAY; ASTERISK AB The linearly polarized millimeter and submillimeter emission in Sagittarius A* is produced within 10 Schwarzschild radii of the supermassive black hole at the Galactic center and may originate from a hot magnetized accretion disk, where electrons are heated efficiently by turbulent plasma waves. In such a scenario, the flux density and polarization are very sensitive to the electron heating rate and the inclination angle of disk, respectively, and the major axis of the submillimeter intrinsic polarization, which is aligned with the rotation axis of the disk, is perpendicular to the major axis of the polarized near- infrared emission. In combination with MHD simulations, which study the properties of the magnetic field and viscous stresses, the current spectral and polarization measurements give tight constraints on the model parameters. Simultaneous observations will be able to test the model. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Peking Univ, Dept Astron, Beijing 100871, Peoples R China. Univ Arizona, Dept Phys, Tucson, AZ 85721 USA. RP Liu, SM (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM liusm@lanl.gov; qianl@vega.bac.pku.edu.cn; clfreyer@lanl.gov; hli@lanl.gov RI liu, siming/B-5389-2011 NR 46 TC 8 Z9 8 U1 0 U2 5 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 OCT 20 PY 2007 VL 668 IS 2 BP L127 EP L130 DI 10.1086/522832 PN 2 PG 4 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 219KH UT WOS:000250083000009 ER PT J AU Quimby, RM Aldering, G Wheeler, JC Hoflich, P Akerlof, CW Rykoff, ES AF Quimby, Robert M. Aldering, Greg Wheeler, J. Craig Hoeflich, Peter Akerlof, Carl W. Rykoff, Eli S. TI Sn 2005ap: A most brilliant explosion SO ASTROPHYSICAL JOURNAL LA English DT Article DE supernovae : individual (SN 2005ap) ID ROSAT ALL-SKY; OPTICAL AFTERGLOW; DATA RELEASE; SUPERNOVAE; DISCOVERY; NGC-6946; CATALOG; CLUSTER AB We present unfiltered photometric observations with ROTSE- III and optical spectroscopic follow- up with HET and the Keck telescope of the most luminous supernova yet identified, SN 2005ap. The spectra taken about 3 days before and 6 days after maximum light show narrow emission lines ( likely originating in the dwarf host) and absorption lines at a redshift of z=0.2832 which puts the peak unfiltered magnitude at -22.7 +/- 0.1 absolute. Broad P Cygni features corresponding to H alpha, C III, N III, and O III are further detected with a photospheric velocity of similar to 20,000 km s(-1). Unlike other highly luminous supernovae such as 2006gy and 2006tf that show slow photometric evolution, the light curve of SN 2005ap indicates a 1 - 3 week rise to peak followed by a relatively rapid decay. The spectra also lack the distinct emission peaks from moderately broadened (FWHM similar to 2000 km s(-1)) Balmer lines seen in SN 2006gy and SN 2006tf. We briefly discuss the origin of the extraordinary luminosity from a strong interaction as may be expected from a pair instability eruption or a GRB- like engine encased in a H/ He envelope. C1 Univ Texas, Dept Astron, Austin, TX 78712 USA. LBNL, Div Phys, Berkeley, CA 94720 USA. Florida State Univ, Dept Phys, Tallahassee, FL 32312 USA. Univ Michigan, Ann Arbor, MI 48104 USA. RP Quimby, RM (reprint author), Univ Texas, Dept Astron, RLM 15308, Austin, TX 78712 USA. NR 31 TC 127 Z9 127 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 OCT 20 PY 2007 VL 668 IS 2 BP L99 EP L102 DI 10.1086/522862 PN 2 PG 4 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 219KH UT WOS:000250083000002 ER PT J AU Allenic, A Guo, W Chen, Y Katz, MB Zhao, GY Che, Y Hu, ZD Liu, B Zhang, SB Pan, XQ AF Allenic, Arnold Guo, Wei Chen, Yanbin Katz, Michael Brandon Zhao, Guangyuan Che, Yong Hu, Zhendong Liu, Bing Zhang, Sheng Bai Pan, Xiaoqing TI Amphoteric phosphorus doping for stable p-type ZnO SO ADVANCED MATERIALS LA English DT Article ID ROOM-TEMPERATURE; THIN-FILMS; EMISSION AB The role of dislocations in stable p-type phosphorus-doped ZnO epitaxial films is investigated. It is shown that good p-type conductivity is always associated with a considerable increase in the density of dislocations, which can aid the formation of shallow complex acceptors and provide sinks for native donors. C1 Univ Michigan, Dept Mat Sci & Engn, Ann Arbor, MI 48109 USA. IMRA Amer Inc, Ann Arbor, MI 48105 USA. Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Pan, XQ (reprint author), Univ Michigan, Dept Mat Sci & Engn, 2300 Hayward St, Ann Arbor, MI 48109 USA. EM panx@umich.edu RI Guo, Wei/B-1765-2012; Krausnick, Jennifer/D-6291-2013; Zhang, Shengbai/D-4885-2013 OI Zhang, Shengbai/0000-0003-0833-5860 NR 22 TC 58 Z9 60 U1 1 U2 29 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0935-9648 J9 ADV MATER JI Adv. Mater. PD OCT 19 PY 2007 VL 19 IS 20 BP 3333 EP + DI 10.1002/adma.200700083 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 228NC UT WOS:000250735600043 ER PT J AU Li, QW Li, Y Zhang, XF Chikkannanavar, SB Zhao, YH Dangelewicz, AM Zheng, LX Doorn, SK Jia, QX Peterson, DE Arendt, PN Zhu, YT AF Li, Qingwen Li, Yuan Zhang, Xiefei Chikkannanavar, Satishkumar B. Zhao, Yonghao Dangelewicz, Andrea M. Zheng, Lianxi Doorn, Stephen K. Jia, Quanxi Peterson, Dean E. Arendt, Paul N. Zhu, Yuntian TI Structure-dependent electrical properties of carbon nanotube fibers SO ADVANCED MATERIALS LA English DT Article ID CONDUCTIVITY; TRANSPORT; OXIDATION; SEMICONDUCTORS; PURIFICATION; TECHNOLOGY; CONDUCTORS; GROWTH; ARRAYS; YARNS AB Improved electron transport along a carbon nanotube (CNT) fiber when it is spun from an array of longer nanotubes is reported. The effect of chemical post-treatments is also demonstrated. For example, the covalent bonding of gold nanoparticles to the CNT fibers remarkably improves conductivity (see figure), whereas annealing CNT fibers in a hydrogen-containing atmosphere leads to a dramatic decrease in conductivity. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Zhu, YT (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM yzhu@lanl.gov RI Zhu, Yuntian/B-3021-2008; Zhao, Yonghao/A-8521-2009; Zheng, Lianxi/A-3855-2011; Lujan Center, LANL/G-4896-2012; Jia, Q. X./C-5194-2008 OI Zhu, Yuntian/0000-0002-5961-7422; Zheng, Lianxi/0000-0003-4974-365X; NR 39 TC 200 Z9 204 U1 8 U2 117 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 OCT 19 PY 2007 VL 19 IS 20 BP 3358 EP + DI 10.1002/adma.200602966 PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 228NC UT WOS:000250735600048 ER PT J AU Yeo, HJ Yokoyama, T Walkiewicz, K Kim, Y Grass, S Geme, JW AF Yeo, Hye-Jeong Yokoyama, Takeshi Walkiewicz, Katarzyna Kim, Youngchang Grass, Susan St. Geme, Joseph W., III TI The structure of the Haemophilus influenzae HMW1 pro-piece reveals a structural domain essential for bacterial two-partner secretion SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID PERTUSSIS FILAMENTOUS HEMAGGLUTININ; BORDETELLA-PERTUSSIS; CRYSTAL-STRUCTURE; SERRATIA-MARCESCENS; PROTEIN SECRETION; VIRULENCE FACTOR; AUTOTRANSPORTER; PATHWAY; ADHESIN; GENES AB In pathogenic Gram-negative bacteria, many virulence factors are secreted via the two-partner secretion pathway, which consists of an exoprotein called TpsA and a cognate outer membrane translocator called TpsB. The HMW1 and HMW2 adhesins are major virulence factors in nontypeable Haemophilus influenzae and are prototype two-partner secretion pathway exoproteins. A key step in the delivery of HMW1 and HMW2 to the bacterial surface involves targeting to the HMW1B and HMW2B outer membrane translocators by an N-terminal region called the secretion domain. Here we present the crystal structure at 1.92 angstrom of the HMW1 pro-piece (HMW1-PP), a region that contains the HMW1 secretion domain and is cleaved and released during HMW1 secretion. Structural analysis of HMW1-PP revealed a right-handed beta-helix fold containing 12 complete parallel coils and one large extra-helical domain. Comparison of HMW1-PP and the Bordetella pertussis FHA secretion domain (Fha30) reveals limited amino acid homology but shared structural features, suggesting that diverse TpsA proteins have a common structural domain required for targeting to cognate TpsB proteins. Further comparison of HMW1-PP and Fha30 structures may provide insights into the keen specificity of TpsA-TpsB interactions. C1 Univ Houston, Dept Biol & Biochem, Houston, TX 77204 USA. Argonne Natl Lab, Struct Biol Ctr, Argonne, IL 60439 USA. Duke Univ, Med Ctr, Dept Pediat, Durham, NC 27710 USA. Duke Univ, Med Ctr, Dept Mol Genet & Microbiol, Durham, NC 27710 USA. RP Yeo, HJ (reprint author), Univ Houston, Dept Biol & Biochem, Houston, TX 77204 USA. EM hyeo@uh.edu FU NIAID NIH HHS [AI068943]; NIDCD NIH HHS [DC02873] NR 39 TC 28 Z9 29 U1 0 U2 2 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 OCT 19 PY 2007 VL 282 IS 42 BP 31076 EP 31084 DI 10.1074/jbc.M705750200 PG 9 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 220DE UT WOS:000250136300075 PM 17699157 ER PT J AU Guiochon, G AF Guiochon, Georges TI Monolithic columns in high-performance liquid chromatography SO JOURNAL OF CHROMATOGRAPHY A LA English DT Review DE bed heterogeneity; column efficiency; compressed gels; efficiency; flow velocity; friction; impedance; mesopores; monolithic columns; peak capacity; permeability; porous; polymer gels; polymer monoliths; pressure; retention times; rod columns; silica monoliths; skeleton; throughpores ID SILICA CAPILLARY COLUMNS; SIZE-EXCLUSION CHROMATOGRAPHY; MASS-TRANSFER KINETICS; HYDROPHOBIC-INTERACTION CHROMATOGRAPHY; MOLECULARLY IMPRINTED POLYMERS; OVERLOADED BAND PROFILES; DOUBLE-PORE SILICA; ESTIMATING DIFFUSION-COEFFICIENTS; REVERSED-PHASE CHROMATOGRAPHY; GEL BONDED OCTADECYLSILICA AB Monolithic media have been used for various niche applications in gas or liquid chromatography for a long time. Only recently did they acquire a major importance in high-performance column liquid chromatography (HPLC). The advent of monolithic silica standard- and narrow-bore columns and of several families of polymer-based monolithic columns has considerably changed the HPLC field, particularly in the area of narrow-bore columns. The origin of the concept, the differences between their characteristics and those of traditional packed columns, their advantages and drawbacks, the methods of preparation of monoliths of different forms, and the current status of the field are reviewed. The actual and potential performance of monolithic columns are compared with those of packed columns. Monolithic columns have considerable advantages, which makes them most useful in many applications of liquid chromatography. They are extremely permeable and offer a high efficiency that decreases slowly with increasing flow velocity. (c) 2007 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 37831 USA. RP Guiochon, G (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. EM guiochon@utk.edu NR 294 TC 528 Z9 534 U1 36 U2 316 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0021-9673 EI 1873-3778 J9 J CHROMATOGR A JI J. Chromatogr. A PD OCT 19 PY 2007 VL 1168 IS 1-2 BP 101 EP 168 DI 10.1016/j.chroma.2007.05.090 PG 68 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 226WO UT WOS:000250619400009 PM 17640660 ER PT J AU Jayachandran, PT MacDougall, JW Hamza, AM Henderson, MG AF Jayachandran, P. T. MacDougall, J. W. Hamza, A. M. Henderson, M. G. TI Observations of dipolarization at geosynchronous orbits and its response in the polar cap convection during extreme southward interplanetary magnetic field conditions SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID MAGNETOSPHERIC SUBSTORMS; AURORAL SUBSTORM; SYNCHRONOUS ALTITUDE; IONOSPHERIC CONTROL; ONSET; SIGNATURES; MODELS; TIME; IMF AB Analysis of the polar cap convection and geosynchronous magnetic field measurements, in the context of dipolarization events, during extreme southward interplanetary magnetic field (IMF) conditions is presented in the paper. Clear dipolarization events at geosynchronous orbits are always followed by an increase in the polar cap convection with a time delay. The distribution of the time delay between the onset of dipolarization at geosynchronous orbit and polar cap convection response varied between 6 and 15 min with an average of 9 min. The polar cap convection response to the dipolarization events enabled the deduction of the dipolarization timescales at geosynchronous orbits and in the ionosphere. A comparison of these two timescales revealed that the timescales of dipolarization events deduced from geosynchronous magnetic field measurements were always shorter (average 11 min) than the timescales deduced from the polar cap convection measurements (average 33 min). C1 Univ New Brunswick, Dept Phys, Fredericton, NB E3B 5A3, Canada. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Western Ontario, Dept Phys & Astron, London, ON N6A 5B8, Canada. RP Jayachandran, PT (reprint author), Univ New Brunswick, Dept Phys, 8 Bailey Dr,POB 4400, Fredericton, NB E3B 5A3, Canada. RI Henderson, Michael/A-3948-2011 OI Henderson, Michael/0000-0003-4975-9029 NR 24 TC 0 Z9 0 U1 0 U2 0 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 OCT 19 PY 2007 VL 112 IS A10 AR A10216 DI 10.1029/2007JA012544 PG 5 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 224MP UT WOS:000250451400009 ER PT J AU Kelly, BN Kyere, S Kinde, I Tang, C Howard, BR Robinson, H Sundquist, WI Summers, MF Hill, CP AF Kelly, Brian N. Kyere, Sampson Kinde, Isaac Tang, Chun Howard, Bruce R. Robinson, Howard Sundquist, Wesley I. Summers, Michael F. Hill, Christopher P. TI Structure of the antiviral assembly inhibitor CAP-1 complex with the HIV-1CA protein SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE HIV capsid; inhibitor; structure; assembly; CAP-1 ID HUMAN-IMMUNODEFICIENCY-VIRUS; C-TERMINAL DOMAIN; CAPSID PROTEIN; DIMERIZATION DOMAIN; VIRAL REPLICATION; MASS-SPECTROMETRY; DIFFRACTION DATA; DRUG-RESISTANCE; CYCLOPHILIN-A; RESOLUTION AB The CA domain of the human immunodeficiency virus type 1 (HIV-1) Gag polyprotein plays critical roles in both the early and late phases of viral replication and is therefore an attractive antiviral target. Compounds with antiviral activity were recently identified that bind to the N-terminal domain of CA (CA(N)) and inhibit capsid assembly during viral maturation. We have determined the structure of the complex between CA N and the antiviral assembly inhibitor N-(3-chloro-4-methylphenyl)-N-'-{2-[({5-[(dimethylamino)-methyl]-2-furyl}-methyl)-sulfanyl]ethyl}-urea) (CAP-1) using a combination of NMR spectroscopy and X-ray crystallography. The protein undergoes a remarkable conformational change upon CAP-1 binding, in which Phe32 is displaced from its buried position in the protein core to open a deep hydrophobic cavity that serves as the ligand binding site. The aromatic ring of CAP-1 inserts into the cavity, with the urea NH groups forming hydrogen bonds with the backbone oxygen of Val59 and the dimethylamonium group interacting with the side-chains of Glu28 and Glu29. Elements that could be exploited to improve binding affinity are apparent in the structure. The displacement of Phe32 by CAP-1 appears to be facilitated by a strained main-chain conformation, which suggests a potential role for a Phe32 conformational switch during normal capsid assembly. (C) 2007 Elsevier Ltd. All rights reserved. C1 Univ Utah, Dept Biochem, Salt Lake City, UT 84112 USA. Univ Maryland, Dept Chem & Biochem, Baltimore, MD 21250 USA. So Univ Utah, Dept Phys Sci, Cedar City, UT 84112 USA. Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Sundquist, WI (reprint author), Univ Utah, Dept Biochem, Salt Lake City, UT 84112 USA. EM wes@biochem.utah.edu; summers@hhmi.umbc.edu; chris@biochem.utah.edu FU NIAID NIH HHS [R37 AI030917-17, R01 AI045405, R37 AI045405, R37 AI030917, AI30917, AI 45405, R37 AI045405-09]; NIGMS NIH HHS [P50 GM082545, GM 076979, F31 GM076979, F31 GM076979-02] NR 61 TC 86 Z9 90 U1 0 U2 6 PU ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0022-2836 J9 J MOL BIOL JI J. Mol. Biol. PD OCT 19 PY 2007 VL 373 IS 2 BP 355 EP 366 DI 10.1016/j.jmb.2007.07.070 PG 12 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 222MZ UT WOS:000250302900011 PM 17826792 ER PT J AU Andrews, BT Schoenfish, AR Roy, M Waldo, G Jennings, PA AF Andrews, Benjamin T. Schoenfish, Andrea R. Roy, Melinda Waldo, Geoffrey Jennings, Patricia A. TI The rough energy landscape of superfolder GFP is linked to the chromophore SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE beta-barrel; hysteresis; protein folding; free energy landscape; posttranslational modification ID GREEN FLUORESCENT PROTEIN; INDUCED DENATURATION; GENE-EXPRESSION; FUNCTIONAL TRANSITIONS; DIRECTED EVOLUTION; CRYSTAL-STRUCTURE; RIBONUCLEASE-A; SPEED LIMIT; HYSTERESIS; INTERMEDIATE AB Many green fluorescent protein (GFP) variants have been developed for use as fluorescent tags, and recently a superfolder GFP (sfGFP) has been developed as a robust folding reporter. This new variant shows increased stability and improved folding kinetics, as well as 100% recovery of native protein after denaturation. Here, we characterize sfGFP, and find that this variant exhibits hysteresis as unfolding and refolding equilibrium titration curves are non-coincident even after equilibration for more than eight half-lives as estimated from kinetic unfolding and refolding studies. This hysteresis is attributed to trapping in a native-like intermediate state. Mutational studies directed towards inhibiting chromophore formation indicate that the novel backbone cyclization is responsible for the hysteresis observed in equilibrium titrations of sfGFP. Slow equilibration and the presence of intermediates imply a rough landscape. However, de novo folding in the absence of the chromophore is dominated by a smoother energy landscape than that sampled during unfolding and refolding of the post-translationally modified polypeptide. (C) 2007 Elsevier Ltd. All rights reserved. C1 Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA 92093 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Jennings, PA (reprint author), Univ Calif San Diego, Dept Chem & Biochem, La Jolla, CA 92093 USA. EM pajennin@ucsd.edu FU NIDDK NIH HHS [P01 DK054441, P01 DK054441-03, DK 54441]; NIGMS NIH HHS [GM 54038, R01 GM054038-11, T32 GM008326, T32 GM008326-16, GM 08326, R01 GM054038, R29 GM054038] NR 83 TC 44 Z9 44 U1 1 U2 25 PU ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0022-2836 J9 J MOL BIOL JI J. Mol. Biol. PD OCT 19 PY 2007 VL 373 IS 2 BP 476 EP 490 DI 10.1016/j.jmb.2007.07.071 PG 15 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 222MZ UT WOS:000250302900020 PM 17822714 ER PT J AU Aubert, B Bona, M Boutigny, D Karyotakis, Y Lees, JP Poireau, V Prudent, X Tisserand, V Zghiche, A Tico, JG Grauges, E Lopez, L Palano, A Eigen, G Stugu, B Sun, L Abrams, GS Battaglia, M Brown, DN Button-Shafer, J Cahn, RN Groysman, Y Jacobsen, RG Kadyk, JA Kerth, LT Kolomensky, YG Kukartsev, G Pegna, DL Lynch, G Mir, LM Orimoto, TJ Ronan, MT Tackmann, K Wenzel, WA Sanchez, PDA Hawkes, CM Watson, AT Held, T Koch, H Lewandowski, B Pelizaeus, M Schroeder, T Steinke, M Walker, D Asgeirsson, DJ Cuhadar-Donszelmann, T Fulsom, BG Hearty, C Mattison, TS McKenna, JA Khan, A Saleem, M Teodorescu, L Blinov, VE Bukin, AD Druzhinin, VP Golubev, VB Onuchin, AP Serednyakov, SI Skovpen, YI Solodov, EP Todyshev, KY Bondioli, M Curry, S Eschrich, I Kirkby, D Lankford, AJ Lund, P Mandelkern, M Martin, EC Stoker, DP Abachi, S Buchanan, C Foulkes, SD Gary, JW Liu, F Long, O Shen, BC Zhang, L Paar, HP Rahatlou, S Sharma, V Berryhill, JW Campagnari, C Cunha, A Dahmes, B Hong, TM Kovalskyi, D Richman, JD Beck, TW Eisner, AM Flacco, CJ Heusch, CA Kroseberg, J Lockman, WS Schalk, T Schumm, BA Seiden, A Williams, DC Wilson, MG Winstrom, LO Chen, E Cheng, CH Fang, F Hitlin, DG Narsky, I Piatenko, T Porter, FC Andreassen, R Mancinelli, G Meadows, BT Mishra, K Sokoloff, MD Blanc, F Bloom, PC Chen, S Ford, WT Hirschauer, JF Kreisel, A Nagel, M Nauenberg, U Olivas, A Smith, JG Ulmer, KA Wagner, SR Zhang, J Gabareen, AM Soffer, A Toki, WH Wilson, RJ Winklmeier, F Zeng, Q Altenburg, DD Feltresi, E Hauke, A Jasper, H Merkel, J Petzold, A Spaan, B Wacker, K Brandt, T Klose, V Kobel, MJ Lacker, HM Mader, WF Nogowski, R Schubert, J Schubert, KR Schwierz, R Sundermann, JE Volk, A Bernard, D Bonneaud, GR Latour, E Lombardo, V Thiebaux, C Verderi, M Clark, PJ Gradl, W Muheim, F Playfer, S Robertson, AI Xie, Y Andreotti, M Bettoni, D Bozzi, C Calabrese, R Cecchi, A Cibinetto, G Franchini, P Luppi, E Negrini, M Petrella, A Piemontese, L Prencipe, E Santoro, V Anulli, F Baldini-Ferroli, R Calcaterra, A de Sangro, R Finocchiaro, G Pacetti, S Patteri, P Peruzzi, IM Piccolo, M Rama, M Zallo, A Buzzo, A Contri, R Lo Vetere, M Macri, MM Monge, MR Passaggio, S Patrignani, C Robutti, E Santroni, A Tosi, S Chaisanguanthum, KS Morii, M Wu, J Dubitzky, RS Marks, J Schenk, S Uwer, U Bard, DJ Dauncey, PD Flack, RL Nash, JA Nikolich, MB Vazquez, WP Tibbetts, M Behera, PK Chai, X Charles, MJ Mallik, U Meyer, NT Ziegler, V Cochran, J Crawley, HB Dong, L Eyges, V Meyer, WT Prell, S Rosenberg, EI Rubin, AE Gritsan, AV Guo, ZJ Lae, CK Denig, AG Fritsch, M Schott, G Arnaud, N Bequilleux, J Davier, M Grosdidier, G Hocker, A Lepeltier, V Le Diberder, F Lutz, AM Pruvot, S Rodier, S Roudeau, P Schune, MH Serrano, J Sordini, V Stocchi, A Wang, WF Wormser, G Lange, DJ Wright, DM Bingham, I Chavez, CA Forster, IJ Fry, JR Gabathuler, E Gamet, R Hutchcroft, DE Payne, DJ Schofield, KC Touramanis, C Bevan, AJ George, KA Di Lodovico, F Menges, W Sacco, R Cowan, G Flaecher, HU Hopkins, DA Paramesvaran, S Salvatore, F Wren, AC Brown, DN Davis, CL Allison, J Barlow, NR Barlow, RJ Chia, YM Edgar, CL Lafferty, GD West, TJ Yi, JI Anderson, J Chen, C Jawahery, A Roberts, DA Simi, G Tuggle, JM Blaylock, G Dallapiccola, C Hertzbach, SS Li, X Moore, TB Salvati, E Saremi, S Cowan, R Dujmic, D Fisher, PH Koeneke, K Sciolla, G Sekula, SJ Spitznagel, M Taylor, F Yamamoto, RK Zhao, M Zheng, Y Mclachlin, SE Patel, PM Robertson, SH Lazzaro, A Palombo, F Bauer, JM Cremaldi, L Eschenburg, V Godang, R Kroeger, R Sanders, DA Summers, DJ Zhao, HW Brunet, S Cote, D Simard, M Taras, P Viaud, FB Nicholson, H De Nardo, G Fabozzi, F Lista, L Monorchio, D Sciacca, C Baak, MA Raven, G Snoek, HL Jessop, CP LoSecco, JM Benelli, G Corwin, LA Honscheid, K Kagan, H Kass, R Morris, JP Rahimi, AM Regensburger, JJ Wong, QK Blount, NL Brau, J Frey, R Igonkina, O Kolb, JA Lu, M Rahmat, R Sinev, NB Strom, D Strube, J Torrence, E Gagliardi, N Gaz, A Margoni, M Morandin, M Pompili, A Posocco, M Rotondo, M Simonetto, F Stroili, R Voci, C Ben-Haim, E Briand, H Calderini, G Chauveau, J David, P Del Buono, L de la Vaissiere, C Hamon, O Leruste, P Malcles, J Ocariz, J Perez, A Gladney, L Biasini, M Covarelli, R Manoni, E Angelini, C Batignani, G Bettarini, S Carpinelli, M Cenci, R Cervelli, A Forti, F Giorgi, MA Lusiani, A Marchiori, G Mazur, MA Morganti, M Neri, N Paoloni, E Rizzo, G Walsh, JJ Haire, M Biesiada, J Elmer, P Lau, YP Lu, C Olsen, J Smith, AJS Telnov, AV Baracchini, E Bellini, F Cavoto, G D'Orazio, A del Re, D Di Marco, E Faccini, R Ferrarotto, F Ferroni, F Gaspero, M Jackson, PD Gioi, LL Mazzoni, MA Morganti, S Piredda, G Polci, F Renga, F Voena, C Ebert, M Hartmann, T Schroder, H Waldi, R Adye, T Castelli, G Franek, B Olaiya, EO Ricciardi, S Roethel, W Wilson, FF Aleksan, R Emery, S Escalier, M Gaidot, A Ganzhur, SF de Monchenault, GH Kozanecki, W Vasseur, G Yeche, C Zito, M Chen, XR Liu, H Park, W Purohit, MV Wilson, JR Allen, MT Aston, D Bartoldus, R Bechtle, P Berger, N Claus, R Coleman, JP Convery, MR Dingfelder, JC Dorfan, J Dubois-Felsmann, GP Dunwoodie, W Field, RC Glanzman, T Gowdy, SJ Graham, MT Grenier, P Hast, C Hryn'ova, T Innes, WR Kaminski, J Kelsey, MH Kim, H Kim, P Kocian, ML Leith, DWGS Li, S Luitz, S Luth, V Lynch, HL MacFarlane, DB Marsiske, H Messner, R Muller, DR O'Grady, CP Ofte, I Perazzo, A Perl, M Pulliam, T Ratcliff, BN Roodman, A Salnikov, AA Schindler, RH Schwiening, J Snyder, A Stelzer, J Su, D Sullivan, MK Suzuki, K Swain, SK Thompson, JM Va'vra, J van Bakel, N Wagner, AP Weaver, M Wisniewski, WJ Wittgen, M Wright, DH Yarritu, AK Yi, K Young, CC Burchat, PR Edwards, AJ Majewski, SA Petersen, BA Wilden, L Ahmed, S Alam, MS Bula, R Ernst, JA Jain, V Pan, B Saeed, MA Wappler, FR Zain, SB Bugg, W Krishnamurthy, M Spanier, SM Eckmann, R Ritchie, JL Ruland, AM Schilling, CJ Schwitters, RF Izen, JM Lou, XC Ye, S Bianchi, F Gallo, F Gamba, D Pelliccioni, M Bomben, M Bosisio, L Cartaro, C Cossutti, F Della Ricca, G Lanceri, L Vitale, L Azzolini, V Lopez-March, N Martinez-Vidal, F Milanes, DA Oyanguren, A Albert, J Banerjee, S Bhuyan, B Hamano, K Kowalewski, R Nugent, IM Roney, JM Sobie, RJ Back, JJ Harrison, PF Ilic, J Latham, TE Mohanty, GB Pappagallo, M Band, HR Chen, X Dasu, S Flood, KT Hollar, JJ Kutter, PE Pan, Y Pierini, M Prepost, R Wu, SL Neal, H AF Aubert, B. Bona, M. Boutigny, D. Karyotakis, Y. Lees, J. P. Poireau, V. Prudent, X. Tisserand, V. Zghiche, A. Tico, J. Garra Grauges, E. Lopez, L. Palano, A. Eigen, G. Stugu, B. Sun, L. Abrams, G. S. Battaglia, M. Brown, D. N. Button-Shafer, J. Cahn, R. N. Groysman, Y. Jacobsen, R. G. Kadyk, J. A. Kerth, L. T. Kolomensky, Yu. G. Kukartsev, G. Pegna, D. Lopes Lynch, G. Mir, L. M. Orimoto, T. J. Ronan, M. T. Tackmann, K. Wenzel, W. A. Sanchez, P. del Amo Hawkes, C. M. Watson, A. T. Held, T. Koch, H. Lewandowski, B. Pelizaeus, M. Schroeder, T. Steinke, M. Walker, D. Asgeirsson, D. J. Cuhadar-Donszelmann, T. Fulsom, B. G. Hearty, C. Mattison, T. S. McKenna, J. A. Khan, A. Saleem, M. Teodorescu, L. Blinov, V. E. Bukin, A. D. Druzhinin, V. P. Golubev, V. B. Onuchin, A. P. Serednyakov, S. I. Skovpen, Yu. I. Solodov, E. P. Todyshev, K. Yu. Bondioli, M. Curry, S. Eschrich, I. Kirkby, D. Lankford, A. J. Lund, P. Mandelkern, M. Martin, E. C. Stoker, D. P. Abachi, S. Buchanan, C. Foulkes, S. D. Gary, J. W. Liu, F. Long, O. Shen, B. C. Zhang, L. Paar, H. P. Rahatlou, S. Sharma, V. Berryhill, J. W. Campagnari, C. Cunha, A. Dahmes, B. Hong, T. M. Kovalskyi, D. Richman, J. D. Beck, T. W. Eisner, A. M. Flacco, C. J. Heusch, C. A. Kroseberg, J. Lockman, W. S. Schalk, T. Schumm, B. A. Seiden, A. Williams, D. C. Wilson, M. G. Winstrom, L. O. Chen, E. Cheng, C. H. Fang, F. Hitlin, D. G. Narsky, I. Piatenko, T. Porter, F. C. Andreassen, R. Mancinelli, G. Meadows, B. T. Mishra, K. Sokoloff, M. D. Blanc, F. Bloom, P. C. Chen, S. Ford, W. T. Hirschauer, J. F. Kreisel, A. Nagel, M. Nauenberg, U. Olivas, A. Smith, J. G. Ulmer, K. A. Wagner, S. R. Zhang, J. Gabareen, A. M. Soffer, A. Toki, W. H. Wilson, R. J. Winklmeier, F. Zeng, Q. Altenburg, D. D. Feltresi, E. Hauke, A. Jasper, H. Merkel, J. Petzold, A. Spaan, B. Wacker, K. Brandt, T. Klose, V. Kobel, M. J. Lacker, H. M. Mader, W. F. Nogowski, R. Schubert, J. Schubert, K. R. Schwierz, R. Sundermann, J. E. Volk, A. Bernard, D. Bonneaud, G. R. Latour, E. Lombardo, V. Thiebaux, Ch. Verderi, M. Clark, P. J. Gradl, W. Muheim, F. Playfer, S. Robertson, A. I. Xie, Y. Andreotti, M. Bettoni, D. Bozzi, C. Calabrese, R. Cecchi, A. Cibinetto, G. Franchini, P. Luppi, E. Negrini, M. Petrella, A. Piemontese, L. Prencipe, E. Santoro, V. Anulli, F. Baldini-Ferroli, R. Calcaterra, A. de Sangro, R. Finocchiaro, G. Pacetti, S. Patteri, P. Peruzzi, I. M. Piccolo, M. Rama, M. Zallo, A. Buzzo, A. Contri, R. Lo Vetere, M. Macri, M. M. Monge, M. R. Passaggio, S. Patrignani, C. Robutti, E. Santroni, A. Tosi, S. Chaisanguanthum, K. S. Morii, M. Wu, J. Dubitzky, R. S. Marks, J. Schenk, S. Uwer, U. Bard, D. J. Dauncey, P. D. Flack, R. L. Nash, J. A. Nikolich, M. B. Vazquez, W. Panduro Tibbetts, M. Behera, P. K. Chai, X. Charles, M. J. Mallik, U. Meyer, N. T. Ziegler, V. Cochran, J. Crawley, H. B. Dong, L. Eyges, V. Meyer, W. T. Prell, S. Rosenberg, E. I. Rubin, A. E. Gritsan, A. V. Guo, Z. J. Lae, C. K. Denig, A. G. Fritsch, M. Schott, G. Arnaud, N. Bequilleux, J. Davier, M. Grosdidier, G. Hoecker, A. Lepeltier, V. Le Diberder, F. Lutz, A. M. Pruvot, S. Rodier, S. Roudeau, P. Schune, M. H. Serrano, J. Sordini, V. Stocchi, A. Wang, W. F. Wormser, G. Lange, D. J. Wright, D. M. Bingham, I. Chavez, C. A. Forster, I. J. Fry, J. R. Gabathuler, E. Gamet, R. Hutchcroft, D. E. Payne, D. J. Schofield, K. C. Touramanis, C. Bevan, A. J. George, K. A. Di Lodovico, F. Menges, W. Sacco, R. Cowan, G. Flaecher, H. U. Hopkins, D. A. Paramesvaran, S. Salvatore, F. Wren, A. C. Brown, D. N. Davis, C. L. Allison, J. Barlow, N. R. Barlow, R. J. Chia, Y. M. Edgar, C. L. Lafferty, G. D. West, T. J. Yi, J. I. Anderson, J. Chen, C. Jawahery, A. Roberts, D. A. Simi, G. Tuggle, J. M. Blaylock, G. Dallapiccola, C. Hertzbach, S. S. Li, X. Moore, T. B. Salvati, E. Saremi, S. Cowan, R. Dujmic, D. Fisher, P. H. Koeneke, K. Sciolla, G. Sekula, S. J. Spitznagel, M. Taylor, F. Yamamoto, R. K. Zhao, M. Zheng, Y. Mclachlin, S. E. Patel, P. M. Robertson, S. H. Lazzaro, A. Palombo, F. Bauer, J. M. Cremaldi, L. Eschenburg, V. Godang, R. Kroeger, R. Sanders, D. A. Summers, D. J. Zhao, H. W. Brunet, S. Cote, D. Simard, M. Taras, P. Viaud, F. B. Nicholson, H. De Nardo, G. Fabozzi, F. Lista, L. Monorchio, D. Sciacca, C. Baak, M. A. Raven, G. Snoek, H. L. Jessop, C. P. LoSecco, J. M. Benelli, G. Corwin, L. A. Honscheid, K. Kagan, H. Kass, R. Morris, J. P. Rahimi, A. M. Regensburger, J. J. Wong, Q. K. Blount, N. L. Brau, J. Frey, R. Igonkina, O. Kolb, J. A. Lu, M. Rahmat, R. Sinev, N. B. Strom, D. Strube, J. Torrence, E. Gagliardi, N. Gaz, A. Margoni, M. Morandin, M. Pompili, A. Posocco, M. Rotondo, M. Simonetto, F. Stroili, R. Voci, C. Ben-Haim, E. Briand, H. Calderini, G. Chauveau, J. David, P. Del Buono, L. de la Vaissiere, Ch. Hamon, O. Leruste, Ph. Malcles, J. Ocariz, J. Perez, A. Gladney, L. Biasini, M. Covarelli, R. Manoni, E. Angelini, C. Batignani, G. Bettarini, S. Carpinelli, M. Cenci, R. Cervelli, A. Forti, F. Giorgi, M. A. Lusiani, A. Marchiori, G. Mazur, M. A. Morganti, M. Neri, N. Paoloni, E. Rizzo, G. Walsh, J. J. Haire, M. Biesiada, J. Elmer, P. Lau, Y. P. Lu, C. Olsen, J. Smith, A. J. S. Telnov, A. V. Baracchini, E. Bellini, F. Cavoto, G. D'Orazio, A. del Re, D. Di Marco, E. Faccini, R. Ferrarotto, F. Ferroni, F. Gaspero, M. Jackson, P. D. Gioi, L. Li Mazzoni, M. A. Morganti, S. Piredda, G. Polci, F. Renga, F. Voena, C. Ebert, M. Hartmann, T. Schroeder, H. Waldi, R. Adye, T. Castelli, G. Franek, B. Olaiya, E. O. Ricciardi, S. Roethel, W. Wilson, F. F. Aleksan, R. Emery, S. Escalier, M. Gaidot, A. Ganzhur, S. F. de Monchenault, G. Hamel Kozanecki, W. Vasseur, G. Yeche, Ch. Zito, M. Chen, X. R. Liu, H. Park, W. Purohit, M. V. Wilson, J. R. Allen, M. T. Aston, D. Bartoldus, R. Bechtle, P. Berger, N. Claus, R. Coleman, J. P. Convery, M. R. Dingfelder, J. C. Dorfan, J. Dubois-Felsmann, G. P. Dunwoodie, W. Field, R. C. Glanzman, T. Gowdy, S. J. Graham, M. T. Grenier, P. Hast, C. Hryn'ova, T. Innes, W. R. Kaminski, J. Kelsey, M. H. Kim, H. Kim, P. Kocian, M. L. Leith, D. W. G. S. Li, S. Luitz, S. Luth, V. Lynch, H. L. MacFarlane, D. B. Marsiske, H. Messner, R. Muller, D. R. O'Grady, C. P. Ofte, I. Perazzo, A. Perl, M. Pulliam, T. Ratcliff, B. N. Roodman, A. Salnikov, A. A. Schindler, R. H. Schwiening, J. Snyder, A. Stelzer, J. Su, D. Sullivan, M. K. Suzuki, K. Swain, S. K. Thompson, J. M. Va'vra, J. van Bakel, N. Wagner, A. P. Weaver, M. Wisniewski, W. J. Wittgen, M. Wright, D. H. Yarritu, A. K. Yi, K. Young, C. C. Burchat, P. R. Edwards, A. J. Majewski, S. A. Petersen, B. A. Wilden, L. Ahmed, S. Alam, M. S. Bula, R. Ernst, J. A. Jain, V. Pan, B. Saeed, M. A. Wappler, F. R. Zain, S. B. Bugg, W. Krishnamurthy, M. Spanier, S. M. Eckmann, R. Ritchie, J. L. Ruland, A. M. Schilling, C. J. Schwitters, R. F. Izen, J. M. Lou, X. C. Ye, S. Bianchi, F. Gallo, F. Gamba, D. Pelliccioni, M. Bomben, M. Bosisio, L. Cartaro, C. Cossutti, F. Della Ricca, G. Lanceri, L. Vitale, L. Azzolini, V. Lopez-March, N. Martinez-Vidal, F. Milanes, D. A. Oyanguren, A. Albert, J. Banerjee, Sw. Bhuyan, B. Hamano, K. Kowalewski, R. Nugent, I. M. Roney, J. M. Sobie, R. J. Back, J. J. Harrison, P. F. Ilic, J. Latham, T. E. Mohanty, G. B. Pappagallo, M. Band, H. R. Chen, X. Dasu, S. Flood, K. T. Hollar, J. J. Kutter, P. E. Pan, Y. Pierini, M. Prepost, R. Wu, S. L. Neal, H. TI Measurements of CP-Violating asymmetries in the decay B-0 ->(K+K-K0) SO PHYSICAL REVIEW LETTERS LA English DT Article ID B DECAYS; PHYSICS AB We analyze the decay B-0 -> K+ K- K-0 using 383 x 10(6) BB events collected by the BABAR detector at SLAC to extract CP violation parameter values over the Dalitz plot. Combining all K+ K- K-0 events, we find A(CP) = -0.015 +/- 0.077 +/- 0.053 and beta(eff) = 0.352 +/- 0.076 +/- 0.026 rad, corresponding to a CP violation significance of 4.8 sigma. A second solution near pi/2-beta(eff) is disfavored with a significance of 4.5 sigma. We also report A(CP) and beta(eff) separately for decays to phi(1020)K-0, f(0)(980)K-0, and K+ K- K-0 with m(K)(K)(+)(-) > 1.1 GeV/c(2). C1 Univ Savoi, CNRS, Phys Particules Lab, IN2P3, F-74941 Annecy Le Vieux, France. Univ Barcelona, Fac Fis, Dept ECM, E-08028 Barcelona, Spain. Univ Bari, Ist Nazl Fis Nucl, Dipartimento Fis, I-70126 Bari, Italy. Univ Bergen, Inst Phys, N-5007 Bergen, Norway. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Univ Birmingham, Birmingham B15 2TT, W Midlands, England. Ruhr Univ Bochum, Inst Expt Phys 1, D-44780 Bochum, Germany. Univ Bristol, Bristol BS8 1TL, Avon, England. Univ British Columbia, Vancouver, BC V6T 1Z1, Canada. Brunel Univ, Uxbridge UB8 3PH, Middx, England. Budker Inst Nucl Phys, Novosibirsk 630090, Russia. Univ Calif Irvine, Irvine, CA 92697 USA. Univ Calif Los Angeles, Los Angeles, CA 90024 USA. Univ Calif Riverside, Riverside, CA 92521 USA. Univ Calif San Diego, La Jolla, CA 92093 USA. Univ Calif Santa Barbara, Santa Barbara, CA 93106 USA. Univ Calif Santa Cruz, Inst Particle Phys, Santa Cruz, CA 95064 USA. CALTECH, Pasadena, CA 91125 USA. Univ Cincinnati, Cincinnati, OH 45221 USA. Univ Colorado, Boulder, CO 80309 USA. Colorado State Univ, Ft Collins, CO 80523 USA. Univ Dortmund, Inst Phys, D-44221 Dortmund, Germany. Tech Univ Dresden, Inst Kern & Teilchenphys, D-01061 Dresden, Germany. Ecole Polytech, CNRS, Lab Leprince Ringuet, IN2P3, F-91128 Palaiseau, France. Univ Edinburgh, Edinburgh EH9 3JZ, Midlothian, Scotland. Univ Ferrara, Ist Nazl Fis Nucl, Dipartimento Fis, I-44100 Ferrara, Italy. Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. Univ Genoa, Ist Nazl Fis Nucl, Dipartimento Fis, I-16146 Genoa, Italy. Harvard Univ, Cambridge, MA 02138 USA. RP Ronan, MT (reprint author), Univ Savoi, CNRS, Phys Particules Lab, IN2P3, F-74941 Annecy Le Vieux, France. RI Patrignani, Claudia/C-5223-2009; de Sangro, Riccardo/J-2901-2012; Della Ricca, Giuseppe/B-6826-2013; Saeed, Mohammad Alam/J-7455-2012; Negrini, Matteo/C-8906-2014; Monge, Maria Roberta/G-9127-2012; Oyanguren, Arantza/K-6454-2014; Lista, Luca/C-5719-2008; Bellini, Fabio/D-1055-2009; Neri, Nicola/G-3991-2012; Forti, Francesco/H-3035-2011; Rotondo, Marcello/I-6043-2012; dong, liaoyuan/A-5093-2015; Luppi, Eleonora/A-4902-2015; Calabrese, Roberto/G-4405-2015; Mir, Lluisa-Maria/G-7212-2015; Martinez Vidal, F*/L-7563-2014; Kolomensky, Yury/I-3510-2015; Lo Vetere, Maurizio/J-5049-2012; Lusiani, Alberto/N-2976-2015; Lusiani, Alberto/A-3329-2016; Morandin, Mauro/A-3308-2016; Di Lodovico, Francesca/L-9109-2016; Pappagallo, Marco/R-3305-2016; Calcaterra, Alessandro/P-5260-2015; Rizzo, Giuliana/A-8516-2015 OI Patrignani, Claudia/0000-0002-5882-1747; de Sangro, Riccardo/0000-0002-3808-5455; Della Ricca, Giuseppe/0000-0003-2831-6982; Saeed, Mohammad Alam/0000-0002-3529-9255; Negrini, Matteo/0000-0003-0101-6963; Monge, Maria Roberta/0000-0003-1633-3195; Oyanguren, Arantza/0000-0002-8240-7300; Bellini, Fabio/0000-0002-2936-660X; Neri, Nicola/0000-0002-6106-3756; Forti, Francesco/0000-0001-6535-7965; Rotondo, Marcello/0000-0001-5704-6163; Cavoto, Gianluca/0000-0003-2161-918X; Barlow, Roger/0000-0002-8295-8612; Raven, Gerhard/0000-0002-2897-5323; Bettarini, Stefano/0000-0001-7742-2998; Cibinetto, Gianluigi/0000-0002-3491-6231; dong, liaoyuan/0000-0002-4773-5050; Pacetti, Simone/0000-0002-6385-3508; Covarelli, Roberto/0000-0003-1216-5235; Paoloni, Eugenio/0000-0001-5969-8712; Faccini, Riccardo/0000-0003-2613-5141; Luppi, Eleonora/0000-0002-1072-5633; Calabrese, Roberto/0000-0002-1354-5400; Mir, Lluisa-Maria/0000-0002-4276-715X; Martinez Vidal, F*/0000-0001-6841-6035; Kolomensky, Yury/0000-0001-8496-9975; Lo Vetere, Maurizio/0000-0002-6520-4480; Lusiani, Alberto/0000-0002-6876-3288; Lusiani, Alberto/0000-0002-6876-3288; Morandin, Mauro/0000-0003-4708-4240; Di Lodovico, Francesca/0000-0003-3952-2175; Pappagallo, Marco/0000-0001-7601-5602; Calcaterra, Alessandro/0000-0003-2670-4826; Rizzo, Giuliana/0000-0003-1788-2866 NR 27 TC 31 Z9 31 U1 0 U2 6 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 OCT 19 PY 2007 VL 99 IS 16 AR 161802 DI 10.1103/PhysRevLett.99.161802 PG 7 WC Physics, Multidisciplinary SC Physics GA 222KT UT WOS:000250296000017 ER PT J AU Bussmann-Holder, A Buttner, H Bishop, AR AF Bussmann-Holder, A. Buettner, H. Bishop, A. R. TI Polar-soft-mode-driven structural phase transition in SrTiO3 SO PHYSICAL REVIEW LETTERS LA English DT Article ID LATTICE-DYNAMICS; CENTRAL-PEAK; FERROELECTRICITY; SCATTERING; POLARIZABILITY AB The structural phase transition of SrTiO3 at 105 K, which has been believed to be independent of the ferroelectric soft mode [Phys. Rev. 177, 858 (1969)], is shown, on the contrary, to be driven by the same long-wavelength polar instability. Isotope replacement of O-16 by O-18 is predicted to cause an increase in the structural phase transition temperature by 3.8 K. In both isotopic cases, dynamical polarizability-induced ferroelastic-type cluster formation takes place above the structural phase transition, which is intrinsic and a consequence of electron-lattice driven mode-mode coupling. Distinct length and time scales are identified. The precursor domains are evidence that order-disorder effects coexist with displacive dynamics. C1 Max Planck Inst Solid State Res, D-70569 Stuttgart, Germany. Univ Bayreuth, Lehrstuhl Theoret Phys, D-95540 Bayreuth, Germany. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Bussmann-Holder, A (reprint author), Max Planck Inst Solid State Res, Heisenbergstr 1, D-70569 Stuttgart, Germany. NR 32 TC 23 Z9 23 U1 1 U2 16 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 19 PY 2007 VL 99 IS 16 AR 167603 DI 10.1103/PhysRevLett.99.167603 PG 4 WC Physics, Multidisciplinary SC Physics GA 222KT UT WOS:000250296000073 PM 17995295 ER PT J AU Davoudiasl, H Sarangi, S Shiu, G AF Davoudiasl, Hooman Sarangi, Saswat Shiu, Gary TI Vacuum sampling in the landscape during inflation SO PHYSICAL REVIEW LETTERS LA English DT Article ID DISCRETE SYMMETRY; COSMOLOGICAL CONSTANT AB We consider the phenomenological consequences of sampling multiple vacua during inflation motivated by an enormous landscape. A generic consequence of this sampling is the formation of domain walls, characterized by the scale mu of the barriers that partition the accessed vacua. We find that the success of big bang nucleosynthesis (BBN) implies mu greater than or similar to 10 TeV, as long as the sampled vacua have a nondegeneracy larger than O(MeV4). Otherwise, the walls will dominate and eventually form black holes that must reheat the universe sufficiently for BBN to take place; in this case, we obtain mu greater than or similar to 10(-5)M(P). These black holes are not allowed to survive and contribute to cosmic dark matter density. C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. Columbia Univ, Dept Phys, New York, NY 10027 USA. RP Davoudiasl, H (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. NR 26 TC 6 Z9 6 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 19 PY 2007 VL 99 IS 16 AR 161302 DI 10.1103/PhysRevLett.99.161302 PG 4 WC Physics, Multidisciplinary SC Physics GA 222KT UT WOS:000250296000012 PM 17995234 ER PT J AU DeBeer-Schmitt, L Eskildsen, MR Ichioka, M Machida, K Jenkins, N Dewhurst, CD Abrahamsen, AB Bud'ko, SL Canfield, PC AF DeBeer-Schmitt, L. Eskildsen, M. R. Ichioka, M. Machida, K. Jenkins, N. Dewhurst, C. D. Abrahamsen, A. B. Bud'ko, S. L. Canfield, P. C. TI Pauli paramagnetic effects on vortices in superconducting TmNi2B2C SO PHYSICAL REVIEW LETTERS LA English DT Article ID II SUPERCONDUCTORS; MAGNETIC ORDER; VORTEX STATE AB The magnetic field distribution around the vortices in TmNi2B2C in the paramagnetic phase was studied experimentally as well as theoretically. The vortex form factor, measured by small-angle neutron scattering, is found to be field independent up to 0.6H(c2) followed by a sharp decrease at higher fields. The data are fitted well by solutions to the Eilenberger equations when paramagnetic effects due to the exchange interaction with the localized 4f Tm moments are included. The induced paramagnetic moments around the vortex cores act to maintain the field contrast probed by the form factor. C1 Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. Okayama Univ, Dept Phys, Okayama 7008530, Japan. Univ Geneva, DPMC, CH-1211 Geneva, Switzerland. Inst Laue Langevin, F-38042 Grenoble, France. Riso Natl Lab, Mat Res Dept, DK-4000 Roskilde, Denmark. Iowa State Univ, Dept Phys & Astron, Ames Lab, Ames, IA 50011 USA. RP DeBeer-Schmitt, L (reprint author), Univ Notre Dame, Dept Phys, Notre Dame, IN 46556 USA. RI ICHIOKA, Masanori/B-2136-2011; Eskildsen, Morten/E-7779-2011; Canfield, Paul/H-2698-2014; DeBeer-Schmitt, Lisa/I-3313-2015 OI ICHIOKA, Masanori/0000-0003-3616-806X; DeBeer-Schmitt, Lisa/0000-0001-9679-3444 NR 22 TC 19 Z9 19 U1 0 U2 8 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 19 PY 2007 VL 99 IS 16 AR 167001 DI 10.1103/PhysRevLett.99.167001 PG 4 WC Physics, Multidisciplinary SC Physics GA 222KT UT WOS:000250296000059 PM 17995281 ER PT J AU Hao, SQ Zhang, ZY AF Hao, Shiqiang Zhang, Zhenyu TI Concerted diffusion, clustering, and magnetic properties of mn dopants on a 2x2-T-4 GaN(0001) substrate SO PHYSICAL REVIEW LETTERS LA English DT Article ID MOLECULAR-BEAM-EPITAXY; AUGMENTED-WAVE METHOD; ROOM-TEMPERATURE; SEMICONDUCTORS; RECONSTRUCTIONS; FERROMAGNETISM; (GA,MN)N; SURFACE; ENERGY; GA1-XMNXN AB Based on first-principles calculations within density functional theory, we propose a kinetic pathway for Mn incorporation on reconstructed 2 x 2-T-4 GaN(0001), characterized by concerted substitution of a Ga atom by a Mn adatom via a precursor surface site T-4. The Mn dopants at low densities are randomly distributed, resulting in intrinsic diluted magnetic semiconductors (DMS). At high Mn densities, planar ferromagnetic clusters oriented in the (0001) plane can be readily formed at relatively low growth temperatures, but ferrimagnetic zigzag columns along the growth orientation will be formed at high temperatures. Furthermore, intrinsic DMS are more likely to be formed via codeposition of Mn + Ga + N at high growth rates. These findings help to explain the observed variations in both the magnetic ordering temperature T-C and the magnetic nature of Ga1-xMnxN. C1 Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Mat Sci Technol Div, Oak Ridge, TN 37831 USA. RP Hao, SQ (reprint author), Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. NR 28 TC 10 Z9 11 U1 1 U2 11 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 19 PY 2007 VL 99 IS 16 AR 166101 DI 10.1103/PhysRevLett.99.166101 PG 4 WC Physics, Multidisciplinary SC Physics GA 222KT UT WOS:000250296000047 PM 17995269 ER PT J AU Kim, PC Lee, ER Lee, IT Perl, ML AF Kim, Peter C. Lee, Eric R. Lee, Irwin T. Perl, Martin L. TI Search for fractional-charge particles in meteoritic material SO PHYSICAL REVIEW LETTERS LA English DT Article ID LEVITATED NIOBIUM SPHERES; ELECTRIC CHARGE; ELEMENTARY-PARTICLES; SAMPLES; MATTER AB We have used an automated Millikan oil drop method to search for free fractional-charge particles in a sample containing in total 3.9 mg of pulverized Allende meteorite suspended in 259 mg of mineral oil. The average diameter of the drops was 26.5 mu m with the charge on about 42 500 000 drops being measured. This search was motivated by the speculation that isolatable, fractional-charge particles produced in the early Universe and present in our Solar System are more likely to be accumulated in asteroids than on Earth's surface. No evidence for fractional-charge particles was found. With 95% confidence, the concentration of particles with fractional-charge more than 0.25 e (e being the magnitude of the electron charge) from the nearest integer charge is less than 1.3 x 10(-21) particles per nucleon in the meteoritic material and less than 1.9 x 10(-23) particles per nucleon in the mineral oil. C1 Stanford Univ, Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. Princeton Univ, Dept Phys, Princeton, NJ 08544 USA. Univ New Mexico, Dept Phys, Albuquerque, NM 87131 USA. RP Perl, ML (reprint author), Stanford Univ, Stanford Linear Accelerator Ctr, 2575 Sand Hill Rd, Menlo Pk, CA 94025 USA. NR 25 TC 7 Z9 7 U1 0 U2 11 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 19 PY 2007 VL 99 IS 16 AR 161804 DI 10.1103/PhysRevLett.99.161804 PG 4 WC Physics, Multidisciplinary SC Physics GA 222KT UT WOS:000250296000019 PM 17995241 ER PT J AU Raebiger, H Lany, S Zunger, A AF Raebiger, Hannes Lany, Stephan Zunger, Alex TI Impurity clustering and ferromagnetic interactions that are not carrier induced in dilute magnetic semiconductors: The case of Cu2OCo SO PHYSICAL REVIEW LETTERS LA English DT Article ID MN AB Current models for ferromagnetism in diluted magnetic semiconductors, such as "p-d exchange" or "double-exchange", rely on the presence of partially filled gap states. We point out a new mechanism, not requiring partially filled states, in which ferromagnetic coupling arises from the occupation of previously unoccupied levels when two transition metal impurities form a close pair. We find from first-principles calculations that this mechanism explains strong ferromagnetic coupling between Co impurities in Cu2O, and at the same time gives rise to Co clustering. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Raebiger, H (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. RI Zunger, Alex/A-6733-2013; Raebiger, Hannes/D-1881-2013 OI Raebiger, Hannes/0000-0003-3969-9165 NR 28 TC 27 Z9 28 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 OCT 19 PY 2007 VL 99 IS 16 AR 167203 DI 10.1103/PhysRevLett.99.167203 PG 4 WC Physics, Multidisciplinary SC Physics GA 222KT UT WOS:000250296000064 PM 17995286 ER PT J AU Xing, JH AF Xing, Jianhua TI Nonequilibrium dynamic mechanism for allosteric effect SO PHYSICAL REVIEW LETTERS LA English DT Article ID PROTEIN ALLOSTERY; ENERGY LANDSCAPE; PLAUSIBLE MODEL; LIGAND-BINDING; DIFFUSION AB Allosteric regulation is often viewed as thermodynamic in nature. However, protein internal motions during an enzymatic reaction cycle can slow the hoping processes over numerous potential barriers. We propose that regulating molecules may function by modifying the nonequilibrium protein dynamics. The theory predicts that an enzyme under the new mechanism has a different temperature dependence, waiting time distribution of the turnover cycle, and dynamic fluctuation patterns with and without an effector. Experimental tests of the theory are proposed. C1 Lawrence Livermore Natl Lab, Chem Mat & Life Sci Directorate, Livermore, CA 94550 USA. Virginia Polytech Inst & State Univ, Dept Biol Sci, Blacksburg, VA 24061 USA. RP Xing, JH (reprint author), Lawrence Livermore Natl Lab, Chem Mat & Life Sci Directorate, Livermore, CA 94550 USA. RI Xing, Jianhua/A-8101-2012 OI Xing, Jianhua/0000-0002-3700-8765 NR 39 TC 16 Z9 16 U1 0 U2 2 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 19 PY 2007 VL 99 IS 16 AR 168103 DI 10.1103/PhysRevLett.99.168103 PG 4 WC Physics, Multidisciplinary SC Physics GA 222KT UT WOS:000250296000078 PM 17995300 ER PT J AU Rutherford, SW Limmer, DT Smith, MG Honnell, KG AF Rutherford, S. W. Limmer, D. T. Smith, M. G. Honnell, K. G. TI Gas transport in ethylene-propylene-diene (EPDM) elastomer: Molecular simulation and experimental study SO POLYMER LA English DT Article DE solubility; diffusivity; permeability ID POLY(ETHYLENE GLYCOL DIACRYLATE); DIFFUSION-COEFFICIENTS; VAPOR SORPTION; ATOMISTIC SIMULATION; DYNAMICS SIMULATIONS; FORCE-FIELD; PERMEATION; PERMEABILITY; PERVAPORATION; SOLUBILITY AB Time lag permeation measurements with ethylene-propylene-diene (EPDM) elastomer have been undertaken in an effort to characterize the gas transport properties of this barrier material. The derived solubility and diffusivity of a series of probe gases including helium, hydrogen, neon, argon, krypton, oxygen, nitrogen, carbon dioxide and methane were measured and compared with molecular simulation predictions. Molecular Dynamics (MD) and Grand Canonical Monte Carlo (GCMC) calculations were performed to provide estimates for diffusivity and solubility, respectively. Agreement between the molecular simulations and experimental data is obtained for simple spherical monatomic probe gases, with greater deviation observed for non-spherical polyatomic gases. Additionally, agreement between semi-empirical correlations based on the effective cross-sectional area of the diffusing species and the effective Lennard-Jones interaction constant of the sorbed species is better than widely used correlations based on gas critical properties. Furthermore, the molecular simulations provide a meaningful representation for the elastomer studied and additionally appear to capture the fundamental principles of sorption and diffusion of the chosen probe gases. Published by Elsevier Ltd. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Rutherford, SW (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM stevenr@lanl.gov NR 55 TC 8 Z9 9 U1 4 U2 22 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 OCT 19 PY 2007 VL 48 IS 22 BP 6719 EP 6727 DI 10.1016/j.polymer.2007.07.020 PG 9 WC Polymer Science SC Polymer Science GA 230TU UT WOS:000250899600026 ER PT J AU Meshik, A Mabry, J Hohenberg, C Marrocchi, Y Pravdivtseva, O Burnett, D Olinger, C Wiens, R Reisenfeld, D Allton, J McNamara, K Stansbery, E Jurewicz, AJG AF Meshik, Alex Mabry, Jennifer Hohenberg, Charles Marrocchi, Yves Pravdivtseva, Olga Burnett, Donald Olinger, Chad Wiens, Roger Reisenfeld, Dan Allton, Judith McNamara, Karen Stansbery, Eileen Jurewicz, Amy J. G. TI Constraints on neon and argon isotopic fractionation in solar wind SO SCIENCE LA English DT Article ID NOBLE-GASES; GENESIS; EVOLUTION; REGIME; ORIGIN; CORONA; MATTER; ACE; HE AB To evaluate the isotopic composition of the solar nebula from which the planets formed, the relation between isotopes measured in the solar wind and on the Sun's surface needs to be known. The Genesis Discovery mission returned independent samples of three types of solar wind produced by different solar processes that provide a check on possible isotopic variations, or fractionation, between the solar-wind and solar-surface material. At a high level of precision, we observed no significant inter-regime differences in Ne-20/Ne-22 or Ar-36/Ar-38 values. For Ne-20/Ne-22, the difference between low- and high-speed wind components is 0.24 +/- 0.37%; for Ar-36/Ar-38, it is 0.11 +/- 0.26%. Our measured Ar-36/Ar-38 ratio in the solar wind of 5.501 +/- 0.005 is 3.42 +/- 0.09% higher than that of the terrestrial atmosphere, which may reflect atmospheric losses early in Earth's history. C1 Washington Univ, Dept Phys, St Louis, MO 63130 USA. CALTECH, Div Geol & Planetary Sci, Pasadena, CA 91125 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Montana, Dept Phys & Astron, Missoula, MT 59812 USA. NASA, Lyndon B Johnson Space Ctr, Houston, TX 77058 USA. Arizona State Univ, Ctr Meteorite Studies, Tempe, AZ 85287 USA. RP Meshik, A (reprint author), Washington Univ, Dept Phys, St Louis, MO 63130 USA. EM am@physics.wustl.edu RI Reisenfeld, Daniel/F-7614-2015 NR 27 TC 32 Z9 33 U1 1 U2 7 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 EI 1095-9203 J9 SCIENCE JI Science PD OCT 19 PY 2007 VL 318 IS 5849 BP 433 EP 435 DI 10.1126/science.1145528 PG 3 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 221LW UT WOS:000250230400041 PM 17947578 ER PT J AU Johnson, TC Routh, PS Clemo, T Barrash, W Clement, WP AF Johnson, T. C. Routh, P. S. Clemo, T. Barrash, W. Clement, W. P. TI Incorporating geostatistical constraints in nonlinear inversion problems SO WATER RESOURCES RESEARCH LA English DT Article ID GROUNDWATER-FLOW; PARAMETER-ESTIMATION; ADVECTIVE TRANSPORT; WATER-CONTENT; CALIBRATION; SIMULATION; AQUIFER; SYSTEMS; MODEL; FIELD AB In this paper we present a method of incorporating semivariogram constraints into nonlinear inversion problems. That is, we describe a method of sampling the space of inverse solutions that honor a specified semivariogram or set of semivariograms and also explain a set of state data. The approach can be considered a method of conditional simulation where model conditioning is based upon state data (as opposed to parameter data). The difference between this approach and other simulation approaches is that the simulation is posed as an optimization problem with the joint objective of matching the semivariograms and honoring the state data. This approach requires computing the sensitivities of the semivariograms with respect to the distributed parameter. We derive these sensitivities and find that they are efficient to compute and store, making the method tenable for large models. We demonstrate the method with one synthetic and one field example using radar velocity tomography, where radar velocity is related through a petrophysical transform to saturated porosity. We address biasing issues and demonstrate ensemble generation and the resulting resolution and uncertainty analysis using ensemble statistics. We also demonstrate how the method can be applied to existing deterministic inversion codes with the field example. C1 Idaho Natl Lab, Idaho Falls, ID 83415 USA. Boise State Univ, Dept Geosci, Ctr Geophys Invest Shallow Subsurface, Boise, ID 83725 USA. RP Johnson, TC (reprint author), Idaho Natl Lab, POB 1625, Idaho Falls, ID 83415 USA. EM timothy.johnson@inl.gov NR 39 TC 9 Z9 9 U1 0 U2 4 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 OCT 19 PY 2007 VL 43 IS 10 AR W10422 DI 10.1029/2006WR005185 PG 18 WC Environmental Sciences; Limnology; Water Resources SC Environmental Sciences & Ecology; Marine & Freshwater Biology; Water Resources GA 224NE UT WOS:000250452900001 ER PT J AU Dalevi, D DeSantis, TZ Fredslund, J Andersen, GL Markowitz, VM Hugenholtz, P AF Dalevi, Daniel DeSantis, Todd Z. Fredslund, Jakob Andersen, Gary L. Markowitz, Victor M. Hugenholtz, Philip TI Automated group assignment in large phylogenetic trees using GRUNT: GRouping, ungrouping, naming tool SO BMC BIOINFORMATICS LA English DT Article ID MIXED MODELS; BACTERIAL; ARB AB Background: Accurate taxonomy is best maintained if species are arranged as hierarchical groups in phylogenetic trees. This is especially important as trees grow larger as a consequence of a rapidly expanding sequence database. Hierarchical group names are typically manually assigned in trees, an approach that becomes unfeasible for very large topologies. Results: We have developed an automated iterative procedure for delineating stable ( monophyletic) hierarchical groups to large ( or small) trees and naming those groups according to a set of sequentially applied rules. In addition, we have created an associated ungrouping tool for removing existing groups that do not meet user-defined criteria ( such as monophyly). The procedure is implemented in a program called GRUNT (GRouping, Ungrouping, Naming Tool) and has been applied to the current release of the Greengenes (Hugenholtz) 16S rRNA gene taxonomy comprising more than 130,000 taxa. Conclusion: GRUNT will facilitate researchers requiring comprehensive hierarchical grouping of large tree topologies in, for example, database curation, microarray design and pangenome assignments. The application is available at the greengenes website [ 1]. C1 [Hugenholtz, Philip] DOE Joint Genome Inst, Microbial Ecol Program, Walnut Creek, CA 94598 USA. [Dalevi, Daniel; Markowitz, Victor M.] Lawrence Berkeley Natl Lab, Biol Data Management & Technol Ctr, Berkeley, CA 94720 USA. [DeSantis, Todd Z.; Andersen, Gary L.] Lawrence Berkeley Natl Lab, Ctr Environm Biotechnol, Berkeley, CA 94720 USA. [Fredslund, Jakob] Univ Aerhus, Bioinformat Res Ctr, DK-8000 Aarhus C, Denmark. RP Hugenholtz, P (reprint author), DOE Joint Genome Inst, Microbial Ecol Program, 2800 Mitchell Dr, Walnut Creek, CA 94598 USA. EM DDalevi@lbl.gov; TDeSantis@lbl.gov; jakobf@birc.au.dk; GLAndersen@lbl.gov; VMMarkowitz@lbl.gov; phugenholtz@lbl.gov RI Hugenholtz, Philip/G-9608-2011; Andersen, Gary/G-2792-2015; OI Andersen, Gary/0000-0002-1618-9827; hugenholtz, philip/0000-0001-5386-7925 NR 13 TC 8 Z9 8 U1 2 U2 5 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1471-2105 J9 BMC BIOINFORMATICS JI BMC Bioinformatics PD OCT 18 PY 2007 VL 8 AR 402 DI 10.1186/1471-2105-8-402 PG 6 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Mathematical & Computational Biology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Mathematical & Computational Biology GA 259KC UT WOS:000252937200001 PM 17949484 ER PT J AU Minovitsky, S Stegmaier, P Kel, A Kondrashov, AS Dubchak, I AF Minovitsky, Simon Stegmaier, Philip Kel, Alexander Kondrashov, Alexey S. Dubchak, Inna TI Short sequence motifs, overrepresented in mammalian conserved non-coding sequences SO BMC GENOMICS LA English DT Article ID NON-GENIC SEQUENCES; SELECTIVE CONSTRAINT; REGULATORY ELEMENTS; INTERGENIC REGIONS; PROMOTERS; EVOLUTION; GENOMES; SITES; DROSOPHILA; TOOL AB Background: A substantial fraction of non-coding DNA sequences of multicellular eukaryotes is under selective constraint. In particular, similar to 5% of the human genome consists of conserved non-coding sequences (CNSs). CNSs differ from other genomic sequences in their nucleotide composition and must play important functional roles, which mostly remain obscure. Results: We investigated relative abundances of short sequence motifs in all human CNSs present in the human/ mouse whole-genome alignments vs. three background sets of sequences: (i) weakly conserved or unconserved non-coding sequences (non-CNSs); (ii) near-promoter sequences (located between nucleotides -500 and -1500, relative to a start of transcription); and (iii) random sequences with the same nucleotide composition as that of CNSs. When compared to non-CNSs and near-promoter sequences, CNSs possess an excess of AT-rich motifs, often containing runs of identical nucleotides. In contrast, when compared to random sequences, CNSs contain an excess of GC-rich motifs which, however, lack CpG dinucleotides. Thus, abundance of short sequence motifs in human CNSs, taken as a whole, is mostly determined by their overall compositional properties and not by overrepresentation of any specific short motifs. These properties are: (i) high AT-content of CNSs, (ii) a tendency, probably due to context-dependent mutation, of A's and T's to clump, (iii) presence of short GC-rich regions, and (iv) avoidance of CpG contexts, due to their hypermutability. Only a small number of short motifs, overrepresented in all human CNSs are similar to binding sites of transcription factors from the FOX family. Conclusion: Human CNSs as a whole appear to be too broad a class of sequences to possess strong footprints of any short sequence-specific functions. Such footprints should be studied at the level of functional subclasses of CNSs, such as those which flank genes with a particular pattern of expression. Overall properties of CNSs are affected by patterns in mutation, suggesting that selection which causes their conservation is not always very strong. C1 [Minovitsky, Simon; Dubchak, Inna] Univ Calif Berkeley, Lawrence Berkeley Lab, Genom Div, Berkeley, CA 94720 USA. [Stegmaier, Philip; Kel, Alexander] BIOBASE GmbH, D-38304 Wolfenbuettel, Germany. [Kondrashov, Alexey S.] Univ Michigan, Inst Life Sci, Ann Arbor, MI 48103 USA. [Kondrashov, Alexey S.] Univ Michigan, Dept Ecol & Evolutionary Biol, Ann Arbor, MI 48103 USA. [Dubchak, Inna] DOE Joint Genome Inst, Walnut Creek, CA 94598 USA. RP Dubchak, I (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Genom Div, Berkeley, CA 94720 USA. EM sminovitsky@lbl.gov; philip.stegmaier@biobase-international.com; alexander.kel@biobase-international.com; kondrash@umich.edu; ildubchak@lbl.gov FU NHGRI NIH HHS [HG003988, R01 HG003988]; NHLBI NIH HHS [HL066681, U01 HL066681] NR 38 TC 5 Z9 6 U1 1 U2 2 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1471-2164 J9 BMC GENOMICS JI BMC Genomics PD OCT 18 PY 2007 VL 8 AR 378 DI 10.1186/1471-2164-8-378 PG 8 WC Biotechnology & Applied Microbiology; Genetics & Heredity SC Biotechnology & Applied Microbiology; Genetics & Heredity GA 252IB UT WOS:000252439100001 PM 17945028 ER PT J AU Larson, TE Longstaffe, FJ AF Larson, T. E. Longstaffe, F. J. TI Deciphering seasonal variations in the diet and drinking water of modern White-Tailed deer by in situ analysis of osteons in cortical bone SO JOURNAL OF GEOPHYSICAL RESEARCH-BIOGEOSCIENCES LA English DT Article ID OXYGEN-ISOTOPE ANALYSIS; TOOTH ENAMEL; LASER FLUORINATION; PHOSPHATE; FRACTIONATION; CARBONATE; APATITE; CLIMATE AB In situ carbon and oxygen isotope values for bioapatite were obtained from longitudinal slices of cortical bone from modern domesticated sheep and free-range White-Tailed deer. The analyses were obtained using an IR-laser coupled to a GC-IRMS interface. Ablation pits averaged 200 x 50 mm, making it possible to sample individual or small bundles of osteons. Cortical bone is remodeled along osteons throughout a mammal's life. Therefore, data at this scale can record seasonal variations in diet and drinking water during the adult stages of a mammal, whereas teeth provide may provide information about the juvenile years of a mammal. Average delta O-18 and delta C-13 values for the sheep from southwestern Ontario, Canada, were 14.0 and -16.1%, respectively. No trend was observed in the isotopic composition of the sheep's osteons, consistent with its constant diet and water supply. The delta O-18 ( 14.2 to 16.6%) and delta(13) C ( -19.2 to -15.6%) values of osteons from White-Tailed deer from nearby Pinery Provincial Park, however, varied systematically and were negatively correlated. Oxygen isotope values of the osteons correlated well with changes in the d(18)O values of the main water source for these deer: winter average, -10.7%; summer average, -8.6%. The variation in d13 C values of the osteons reflects changes in diet; summer diet consisted mainly of leafy C-3 vegetation ( -28.4%), whereas winter diet comprised bark ( -25.6%), C-4 grasses (delta C-13, -12.7%), and corn stalks and husks (-11.3 parts per thousand). C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Western Ontario, Dept Earth Sci, London, ON N6A 5B7, Canada. RP Larson, TE (reprint author), Los Alamos Natl Lab, MS D469, Los Alamos, NM 87545 USA. RI Longstaffe, Fred/A-6843-2008; OI Larson, Toti/0000-0002-2291-5979 NR 25 TC 2 Z9 2 U1 2 U2 11 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0148-0227 J9 J GEOPHYS RES-BIOGEO JI J. Geophys. Res.-Biogeosci. PD OCT 18 PY 2007 VL 112 IS G4 AR G04003 DI 10.1029/2006JG000376 PG 12 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA 224LY UT WOS:000250449700001 ER PT J AU Edwards, WN Eaton, DW McCausland, PJ ReVelle, DO Brown, PG AF Edwards, Wayne N. Eaton, David W. McCausland, Philip J. ReVelle, Douglas O. Brown, Peter G. TI Calibrating infrasonic to seismic coupling using the Stardust sample return capsule shockwave: Implications for seismic observations of meteors SO JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH LA English DT Article ID FREQUENCY RANGE; ELASTIC WAVES; SONIC-BOOMS; FALL; PROPAGATION; RECOVERY; FIREBALL; SOUND AB Shock waves produced by meteoroids are detectable by seismograph networks, but a lack of calibration has limited quantitative analysis of signal amplitudes. We report colocated seismic and infrasound observations from reentry of NASA's Stardust sample return capsule (SSRC) on 15 January 2006. The velocity of the SSRC (initially 12.5 km/s) was the highest ever for an artificial object, lying near the low end of the 11.2-72 km/s range typical of meteoroids. Our infrasonic/seismic recordings contain an initial N wave produced by the hypersonic shock front, followed similar to 10 s later by an enigmatic series of weak, secondary pulses. The seismic signals also include an intervening dispersed wave train with the characteristics of an air-coupled Rayleigh wave. We determine an acoustic-seismic coupling coefficient of 7.3 +/- 0.2 mu m s(-1)/Pa. This represents an energy admittance of 2.13 +/- 0.15%, several orders of magnitude larger than previous estimates derived from earthquake or explosive analogs. Theoretical seismic response was computed using in situ V-P and V-S measurements, together with laboratory density measurements from samples of the clay-rich playa. Treatment of the air- ground interface as an idealized air-solid contact correctly predicts the initial pulse shape but underestimates its seismic amplitude by a factor of similar to 2. Full-wave synthetic seismograms simulate the air-coupled Rayleigh wave and suggest that the secondary arrivals are higher-order Airy phases. Part of the infrasound signal appears to arise from coupling of ground motion into the air, much like earthquake-induced sounds. C1 Univ Western Ontario, Dept Earth Sci, London, ON N6A 5B7, Canada. Univ Western Ontario, Dept Phys & Astron, London, ON N6A 3K7, Canada. Los Alamos Natl Lab, Atmospher Climate & Environm Dynam Meteorol Model, Los Alamos, NM 87545 USA. RP Edwards, WN (reprint author), Univ Western Ontario, Dept Earth Sci, 1151 Richmond St, London, ON N6A 5B7, Canada. NR 37 TC 8 Z9 8 U1 0 U2 3 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 OCT 18 PY 2007 VL 112 IS B10 AR B10306 DI 10.1029/2006JB004621 PG 13 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 224MM UT WOS:000250451100003 ER PT J AU Yi, CW Kwak, JH Peden, CHF Wang, CM Szanyi, J AF Yi, Cheol-Woo Kwak, Ja Hun Peden, Charles H. F. Wang, Chongmin Szanyi, Janos TI Understanding practical catalysts using a surface science approach: The importance of strong interaction between BaO and Al2O3 in NOx storage materials SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Letter ID BARIUM OXIDE; CHEMISORPTIVE PROPERTIES; MODEL CATALYSTS; NSR CATALYSTS; METAL-FILMS; ADSORPTION; PARTICLES; REACTIVITY; BAO/AL2O3 AB The interaction of NO2 with BaO/Al2O3/NiAl(110) model NOx storage materials was investigated at BaO coverages corresponding, to practical systems. The results obtained from these model systems show excellent correlation with those of practical systems. We found a specific, strong interaction between BaO and Al2O3, and this interaction profoundly influences the NOx, chemistry. BaO readily forms a Ba-aluminate-like surface phase, and upon the interaction with NOx, Ba ions are pulled out from this surface layer to form Ba(NO3)(2) clusters. 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 K8-80, Richland, WA 99352 USA. EM janos.szanyi@pnl.gov RI Kwak, Ja Hun/J-4894-2014; Yi, Cheol-Woo/B-3082-2010; OI Yi, Cheol-Woo/0000-0003-4549-5433; Peden, Charles/0000-0001-6754-9928 NR 24 TC 33 Z9 33 U1 0 U2 11 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD OCT 18 PY 2007 VL 111 IS 41 BP 14942 EP 14944 DI 10.1021/jp0763376 PG 3 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 220FJ UT WOS:000250142300003 ER PT J AU Schiros, T Naslund, LA Andersson, K Gyllenpalm, J Karlberg, GS Odelius, M Ogasawara, H Pettersson, LGM Nilsson, A AF Schiros, T. Naslund, L.-A. Andersson, K. Gyllenpalm, J. Karlberg, G. S. Odelius, M. Ogasawara, H. Pettersson, L. G. M. Nilsson, A. TI Structure and bonding of the water-hydroxyl mixed phase on Pt(111) SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID RAY-ABSORPTION-SPECTRA; DENSITY-FUNCTIONAL THEORY; CORE-LEVEL SPECTROSCOPY; LIQUID WATER; OXYGEN; ADSORPTION; SURFACE; APPROXIMATION; ADSORBATES; OVERLAYER AB We combine low-energy electron diffraction (LEED), X-ray photoelectron spectroscopy (XPS), X-ray absorption spectroscopy (XAS), and Auger electron spectroscopy (AES) with density functional theory (DFT) to reveal the structure and bonding of water-hydroxyl mixed layers adsorbed on Pt(111). We find that the stable water-hydroxyl adlayer forms a mixed phase of nearly coplanar hexamer structures resulting in (root 3 x root 3)R30 degrees and (3 x 3) unit cells, respectively. In the asymmetric (3 x 3) structure the lateral O-O distances alternate between long and short bond lengths similar to the chemical bonding network for OH- ions in solution. The chemical driving force behind this similarity is discussed in a molecular orbital picture. C1 Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, SE-10691 Stockholm, Sweden. Stanford Synchrotron Radiat Lab, Stanford, CA 94309 USA. Chalmers Goteborg Univ, Dept Appl Phys, S-41296 Gothenburg, Sweden. RP Nilsson, A (reprint author), Stockholm Univ, AlbaNova Univ Ctr, Dept Phys, 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; Odelius, Michael/A-7628-2014; Ogasawara, Hirohito/D-2105-2009; OI Nilsson, Anders/0000-0003-1968-8696; Pettersson, Lars/0000-0003-1133-9934; Odelius, Michael/0000-0002-7023-2486; Ogasawara, Hirohito/0000-0001-5338-1079; Andersson, Klas J./0000-0002-6064-5658 NR 60 TC 74 Z9 74 U1 3 U2 35 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD OCT 18 PY 2007 VL 111 IS 41 BP 15003 EP 15012 DI 10.1021/jp073405f PG 10 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 220FJ UT WOS:000250142300013 ER PT J AU Klahn, T Blaschke, D Sandin, F Fuchs, C Faessler, A Grigorian, H Ropke, G Trumper, J AF Klaehn, T. Blaschke, D. Sandin, F. Fuchs, Ch. Faessler, A. Grigorian, H. Roepke, G. Truemper, J. TI Modem compact star observations and the quark matter equation of state SO PHYSICS LETTERS B LA English DT Article ID DYSON-SCHWINGER EQUATIONS; NEUTRON-STAR; NUCLEAR-MATTER; PHASE-DIAGRAM; STRANGE STARS; DENSE MATTER; QCD; TEMPERATURE; TRANSITIONS; INERTIA AB We present a hybrid equation of state (EoS) for dense matter that satisfies phenomenological constraints from modem compact star (CS) observations which indicate high maximum masses (M similar to 2 M-circle dot) and large radii (R > 12 km). The corresponding isospin symmetric EoS is consistent with flow data analyses of heavy-ion collisions and a deconfinement transition at similar to 0.55 fm(-3). The quark matter phase is described by a 3-flavor Nambu-Jona-Lasinio model that accounts for scalar diquark condensation and vector meson interactions while the nuclear matter phase is obtained within the Dirac-Brueckner-Hartree-Fock (DBHF) approach using the Bonn-A potential. We demonstrate that both pure neutron stars and neutron stars with quark matter cores are consistent with modem CS observations. Hybrid star configurations with a CFL quark core are unstable within the present model. (c) 2007 Elsevier B.V. All rights reserved. C1 Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. Univ Rostock, Inst Phys, D-18051 Rostock, Germany. Gesell Schwerionenforsch mbH, D-64291 Darmstadt, Germany. Univ Wroclaw, Inst Theoret Phys, PL-50204 Wroclaw, Poland. Joint Inst Nucl Res, Bogoliubov Lab Theoret Phys, Dubna 141980, Russia. Univ Lulea Technol, Dept Phys, S-97187 Lulea, Sweden. Univ Tubingen, Inst Theoret Phys, D-72076 Tubingen, Germany. Joint Inst Nucl Res, Lab Informat Technol, Dubna 141980, Russia. Yerevan State Univ, Dept Phys, Yerevan 375049, Armenia. Max Planck Inst Extraterr Phys, Garching, Germany. RP Klahn, T (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. EM klaehn@anl.gov NR 63 TC 90 Z9 93 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD OCT 18 PY 2007 VL 654 IS 5-6 BP 170 EP 176 DI 10.1016/j.physletb.2007.08.048 PG 7 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 230TN UT WOS:000250898900006 ER PT J AU Mei, Q Benmore, CJ Soignard, E Amin, S Yarger, JL AF Mei, Q. Benmore, C. J. Soignard, E. Amin, S. Yarger, J. L. TI Analysis of high-energy x-ray diffraction data at high pressure: the case of vitreous As2O3 at 32 GPa SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article; Proceedings Paper CT International Workshop on Current Challenges in Liquid and Glass Science CY JAN 10-12, 2007 CL Abingdon, ENGLAND SP Council Cent Lab Res Councils, Inst Phys, Liquids & Complex Fluids Grp, ISIS Disordered Mat Grp, CCLRC Ctr Mat Phys & Chem, CCLRC Mole Structure & Dynam ID ANVIL CELL; SCATTERING AB The x-ray structure factor of vitreous As2O3 has been measured at 32 GPa in a laser-perforated diamond anvil cell using a monochromatic, micro-focused high-energy x-ray beam. The experimental correction procedures are discussed in detail, and they yield reliable data over the range Q = 0.3-13.5 angstrom(-1). The use of modified form factors to analyse the scattering data is presented to account for charge transfer. Analysis of the radial distribution function yields an increase in the coordination number from 3.1 +/- 0.3 oxygen atoms surrounding an arsenic atom at normal pressure to 4.8 +/- 0.5 at 32 GPa with only a slight change in the As - O bond length. Substantial structural changes are observed at higher distances, extending up to 18 angstrom in real space. C1 Argonne Natl Lab, Div Intense Pulsed Neutron Source & Xray Sci, Argonne, IL 60439 USA. Arizona State Univ, Dept Chem & Biochem, Tempe, AZ 85287 USA. RP Mei, Q (reprint author), Argonne Natl Lab, Div Intense Pulsed Neutron Source & Xray Sci, Argonne, IL 60439 USA. RI Yarger, Jeff/L-8748-2014; OI Yarger, Jeff/0000-0002-7385-5400; Benmore, Chris/0000-0001-7007-7749 NR 25 TC 9 Z9 9 U1 1 U2 8 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 OCT 17 PY 2007 VL 19 IS 41 AR 415103 DI 10.1088/0953-8984/19/41/415103 PG 12 WC Physics, Condensed Matter SC Physics GA 218AB UT WOS:000249987300006 PM 28192315 ER PT J AU Chen, PR Wasinger, EC Zhao, J van der Lelie, D Chen, LX He, C AF Chen, Peng R. Wasinger, Erik C. Zhao, Jing van der Lelie, Daniel Chen, Lin X. He, Chuan TI Spectroscopic insights into lead(II) coordination by the selective lead(II)-binding protein PbrR691 SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID MERR METALLOREGULATORY PROTEIN; METAL-ION SELECTIVITY; RALSTONIA-METALLIDURANS; BINDING-SITES; RECEPTOR-SITE; CHEMISTRY; COMPLEXATION; CUER AB A lead(II)-specific binding protein PbrR691 uses a hemidirected geometry to selectively recognize lead(H) over other metal ions. C1 Univ Chicago, Dept Chem, Chicago, IL 60637 USA. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Chen, LX (reprint author), Univ Chicago, Dept Chem, 5735 S Ellis Ave, Chicago, IL 60637 USA. EM lchen@anl.gov; chuanhe@uchicago.edu NR 24 TC 20 Z9 21 U1 2 U2 11 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD OCT 17 PY 2007 VL 129 IS 41 BP 12350 EP + DI 10.1021/ja0733890 PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 219SQ UT WOS:000250105500005 PM 17880216 ER PT J AU Dey, A Jenney, FE Adams, MWW Johnson, MK Hodgson, KO Hedman, B Solomon, EI AF Dey, Abhishek Jenney, Francis E., Jr. Adams, Michael W. W. Johnson, Michael K. Hodgson, Keith O. Hedman, Britt Solomon, Edward I. TI Sulfur K-edge X-ray absorption Spectroscopy and density functional theory calculations on superoxide reductase: Role of the axial thiolate in reactivity SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID NONHEME IRON ENZYME; ACTIVE-SITE; DESULFOARCULUS-BAARSII; PYROCOCCUS-FURIOSUS; ELECTRONIC-STRUCTURE; TREPONEMA-PALLIDUM; DFT CALCULATIONS; DESULFOVIBRIO-VULGARIS; PROTEIN ENVIRONMENT; REDOX POTENTIALS AB Superoxide reductase (SOR) is a non-heme iron enzyme that reduces superoxide to peroxide at a diffusion-controlled rate. Sulfur K-edge X-ray absorption spectroscopy (XAS) is used to investigate the ground-state electronic structure of the resting high-spin and CN- bound low-spin Fe-III forms of the I Fe SOR from Pyrococcus furiosus. A computational model with constrained imidazole rings (necessary for reproducing spin states), H-bonding interaction to the thiolate (necessary for reproducing Fe-S bond covalency of the high-spin and low-spin forms), and H-bonding to the exchangeable axial ligand (necessary to reproduce the ground state of the low-spin form) was developed and then used to investigate the enzymatic reaction mechanism. Reaction of the resting ferrous site with superoxide and protonation leading to a high-spin Fe-III-OOH species and its subsequent protonation resulting in H2O2 release is calculated to be the most energetically favorable reaction pathway. Our results suggest that the thiolate acts as a covalent anionic ligand. Replacing the thiolate with a neutral noncovalent ligand makes protonation very endothermic and greatly raises the reduction potential. The covalent nature of the thiolate weakens the Fe-III bond to the proximal oxygen of this hydroperoxo species, which raises its pK(a), by an additional 5 log units relative to the pKa of a primarily anionic ligand, facilitating its protonation. A comparison with cytochrome P450 indicates that the stronger equatorial ligand field from the porphyrin results in a low-spin Fe-III-OOH species that would not be capable of efficient H2O2 release due to a spin-crossing barrier associated with formation of a high-spin 5C Fe-III product. Additionally, the presence of the dianionic porphyrin pi ring in cytochrome P450 allows O-O heterolysis, forming an Fe-IV-oxo porphyrin radical species, which is calculated to be extremely unfavorable for the non-heme SOR ligand environment. Finally, the 5C Fe-III site that results from the product release at the end of the O-2(-) reduction cycle is calculated to be capable of reacting with a second O-2, resulting in superoxide dismutase (SOD) activity. However, in contrast to FeSOD, the 5C Fe-III site of SOR, which is more positively charged, is calculated to have a high affinity for binding a sixth anionic ligand, which would inhibit its SOD activity. C1 Stanford Univ, Dept Chem, Stanford, CA 94305 USA. Univ Georgia, Dept Chem & Biochem, Athens, GA 30602 USA. Univ Georgia, Dept Mol Biol, Athens, GA 30602 USA. Stanford Univ, SLAC, Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. RP Hodgson, KO (reprint author), Stanford Univ, Dept Chem, Stanford, CA 94305 USA. EM edward.solomon@stanford.odu RI Dey, Abhishek/D-2825-2013 OI Dey, Abhishek/0000-0002-9166-3349 FU NCRR NIH HHS [P41 RR001209, P41 RR001209-29, RR-01209]; NIGMS NIH HHS [R01 GM060329, GM 40392, GM 60329, R01 GM040392, R01 GM040392-20, R01 GM060329-07] NR 65 TC 34 Z9 34 U1 1 U2 14 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 OCT 17 PY 2007 VL 129 IS 41 BP 12418 EP 12431 DI 10.1021/ja064167p PG 14 WC Chemistry, Multidisciplinary SC Chemistry GA 219SQ UT WOS:000250105500039 PM 17887751 ER PT J AU Martin, NI Woodward, JJ Winter, MB Beeson, WT Marletta, MA AF Martin, Nathaniel I. Woodward, Joshua J. Winter, Michael B. Beeson, William T. Marletta, Michael A. TI Design and synthesis of C5 methylated L-arginine analogues as active site probes for nitric oxide synthase SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID OXYGENASE DIMER; RELAXING FACTOR; MECHANISM; NO; N(G)-HYDROXY-L-ARGININE; TETRAHYDROBIOPTERIN; CYTOCHROME-P450; HYDROXYARGININE; SPECIFICITY; INHIBITION AB The role of nitric oxide (NO) as a biological signaling molecule is well established. NO is produced by the nitric oxide synthases (NOSs, EC 1.14.13.39), a class of heme proteins capable of converting L-arginin to NO and L-Citrulline. Despite the large body of knowledge associated with the NOSs, mechanistic details relating to the unique oxidative chemistry performed by these enzymes remain to be fully elucidated. Furthermore, a number of disease states are associated with either the over- or underproduction of NO, making the NOS pathway an attractive target for the development of therapeutics. For these reasons, molecular tools capable of providing mechanistic insights into the production of NO and/or the inhibition of the NOSs remain of interest. We report here the stereospecific synthesis and testing of a number of new L-arginine analogues bearing a minimal substitution, methylation at position 5 of the amino acid side chain (such analogues have not been previously reported). The synthetic approach employed a modified photolysis procedure whereby irradiation of the appropriate diacylperoxide precursors at 254 nm gave access to the required unnatural amino acids in good yields. A heme domain construct of the inducible NOS isoform (iNOS(heme)) was used to assess the binding of each compound to the enzyme active site. The compounds were also investigated as either inhibitors of, or alternate substrates for, the inducible NOS isoform. The results obtained provide new insight into the steric and stereochemical tolerance of the enzyme active site. These findings also further support the role of a conserved active site water molecule previously proposed to be necessary for NOS catalysis. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Mol & Cellular Biol, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Phys Sci, Berkeley, CA 94720 USA. RP Marletta, MA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Chem, Berkeley, CA 94720 USA. EM marletta@berkeley.edu NR 34 TC 23 Z9 23 U1 0 U2 10 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 OCT 17 PY 2007 VL 129 IS 41 BP 12563 EP 12570 DI 10.1021/ja0746159 PG 8 WC Chemistry, Multidisciplinary SC Chemistry GA 219SQ UT WOS:000250105500055 PM 17892291 ER PT J AU Ghezzehei, TA Kneafsey, TJ Su, GW AF Ghezzehei, Teamrat A. Kneafsey, Timothy J. Su, Grace W. TI Correspondence of the Gardner and van Genuchten-Mualem relative permeability function parameters SO WATER RESOURCES RESEARCH LA English DT Article ID UNSATURATED POROUS-MEDIA; HYDRAULIC CONDUCTIVITY; FLOW; EQUIVALENCE; INCLUSIONS; CAVITIES; SEEPAGE; SOILS; MODEL AB The Gardner and van Genuchten-Mualem models of relative permeability are widely used in analytical and numerical solutions to flow problems, respectively. Comparison of analytical and numerical solutions therefore requires defining some correspondence between the Gardner and van Genuchten-Mualem models. In this paper, we introduce generalized conversion formulae that reconcile these two models in the midrange of saturation. In general, we find that the Gardner parameter a G is related to the van Genuchten parameters alpha(vG) and n as alpha(G) approximate to 1.3 alpha(vG) n. The performance of the proposed conversion formulae is poor when n is much smaller than 2. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. RP Ghezzehei, TA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Earth Sci, Berkeley, CA 94720 USA. RI Ghezzehei, Teamrat/G-7483-2011; Kneafsey, Timothy/H-7412-2014 OI Ghezzehei, Teamrat/0000-0002-0287-6212; Kneafsey, Timothy/0000-0002-3926-8587 NR 16 TC 19 Z9 19 U1 2 U2 3 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 OCT 17 PY 2007 VL 43 IS 10 AR W10417 DI 10.1029/2006WR005339 PG 7 WC Environmental Sciences; Limnology; Water Resources SC Environmental Sciences & Ecology; Marine & Freshwater Biology; Water Resources GA 224NB UT WOS:000250452600003 ER PT J AU Zaitseva, N Dai, ZR Grant, CD Harper, J Saw, C AF Zaitseva, Natalia Dai, Zu Rong Grant, Christian D. Harper, Jennifer Saw, Cheng TI Germanium nanocrystals synthesized in high-boiling-point organic solvents SO CHEMISTRY OF MATERIALS LA English DT Article ID QUANTUM; NANOWIRES; EMISSION AB Ge nanoparticles with sizes from 1 to 15 nm were synthesized by thermal decomposition of the germane precursors trichlorogermane, tetraethylgermane, and tetrabutylgermane. Experiments were performed in the organic solvents trioctylamine, squalene, and octacosane, which have boiling points in the temperature range from 380 to 429 degrees C. The use of high-boiling-point solvents extended the temperature range of the reactions, thus enabling the experiments to be conducted with organogermane precursors which have high decomposition points above 400 degrees C. Characterization by X-ray diffraction and transmission electron microscopy showed that, depending on the reaction temperature, the final decomposition products consist of amorphous Ge nanoparticles, nanocrystals, or nanowires that grow only in the (110) direction. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Zaitseva, N (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave, Livermore, CA 94551 USA. EM zaitseval@Ilnl.gov RI Dai, Zurong/E-6732-2010 NR 20 TC 38 Z9 39 U1 0 U2 13 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 OCT 16 PY 2007 VL 19 IS 21 BP 5174 EP 5178 DI 10.1021/cm070062p PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 218IS UT WOS:000250009800019 ER PT J AU Hyyti, OM Ge, M Olson, A Sadilek, M Isern, N Ning, XH Portman, M AF Hyyti, Outi M. Ge, Ming Olson, Aaron Sadilek, Martin Isern, Nancy Ning, Xue-Han Portman, Michael TI Pyruvate promotes anaplerosis and preserves cardiac function after cardiopulmonary bypass and aortic cross-clamping in immature pigs SO CIRCULATION LA English DT Meeting Abstract CT 80th Annual Scientific Session of the American-Heart-Association CY NOV 04-07, 2007 CL Orlando, FL SP Amer Heart Assoc C1 [Hyyti, Outi M.; Ge, Ming; Olson, Aaron; Ning, Xue-Han; Portman, Michael] Childrens Hosp, Reg Med Ctr, Seattle, WA USA. [Sadilek, Martin] Univ Washington, Seattle, WA USA. [Isern, Nancy] Pacific NW Natl Lab, Seattle, WA USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0009-7322 J9 CIRCULATION JI Circulation PD OCT 16 PY 2007 VL 116 IS 16 SU S BP 322 EP 322 PG 1 WC Cardiac & Cardiovascular Systems; Peripheral Vascular Disease SC Cardiovascular System & Cardiology GA 223TD UT WOS:000250394301475 ER PT J AU Broisat, A Ruiz, M VanBrocklin, HF Goodman, NC Hanrahan, SM Janabi, M Watson, DD Beller, GA Glover, DK AF Broisat, Alexis Ruiz, Mirta VanBrocklin, Henry F. Goodman, Norman C. Hanrahan, Stephen M. Janabi, Mustafa Watson, Denny D. Beller, George A. Glover, David K. TI Myocardial uptake of 7'(Z)-[I-123]lodorotenone during vasodilator stress in dogs with coronary stenoses SO CIRCULATION LA English DT Meeting Abstract CT 80th Annual Scientific Session of the American-Heart-Association CY NOV 04-07, 2007 CL Orlando, FL SP Amer Heart Assoc C1 [Broisat, Alexis; Ruiz, Mirta; Goodman, Norman C.; Watson, Denny D.; Beller, George A.; Glover, David K.] Univ Virginia, Charlottesville, VA 22903 USA. [VanBrocklin, Henry F.; Hanrahan, Stephen M.; Janabi, Mustafa] Lawrence Berkeley Natl Lab, Berkeley, CA USA. NR 0 TC 2 Z9 2 U1 0 U2 2 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0009-7322 J9 CIRCULATION JI Circulation PD OCT 16 PY 2007 VL 116 IS 16 SU S MA 2953 BP 659 EP 659 PG 1 WC Cardiac & Cardiovascular Systems; Peripheral Vascular Disease SC Cardiovascular System & Cardiology GA 223TD UT WOS:000250394303052 ER PT J AU Tekabe, Y Li, Q Sedlar, M Majeweski, S Schmidt, AM Johnson, LL AF Tekabe, Yared Li, Qing Sedlar, Marija Majeweski, Stan Schmidt, Ann Marie Johnson, Lynne L. TI RAGE-directed imaging of atherosclerotic plaque in a murine model of spontaneous atherosclerosis SO CIRCULATION LA English DT Meeting Abstract CT 80th Annual Scientific Session of the American-Heart-Association CY NOV 04-07, 2007 CL Orlando, FL SP Amer Heart Assoc C1 [Tekabe, Yared; Li, Qing; Sedlar, Marija; Schmidt, Ann Marie; Johnson, Lynne L.] Columbia Univ, New York, NY USA. [Majeweski, Stan] Thomas Jefferson Natl Accelerator Facil, Newport News, VA USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU LIPPINCOTT WILLIAMS & WILKINS PI PHILADELPHIA PA 530 WALNUT ST, PHILADELPHIA, PA 19106-3621 USA SN 0009-7322 J9 CIRCULATION JI Circulation PD OCT 16 PY 2007 VL 116 IS 16 SU S MA 3198 BP 719 EP 719 PG 1 WC Cardiac & Cardiovascular Systems; Peripheral Vascular Disease SC Cardiovascular System & Cardiology GA 223TD UT WOS:000250394303295 ER PT J AU Song, C Zaveri, RA Alexander, ML Thornton, JA Madronich, S Ortega, JV Zelenyuk, A Yu, XY Laskin, A Maughan, DA AF Song, Chen Zaveri, Rahul A. Alexander, M. Lizabeth Thornton, Joel A. Madronich, Sasha Ortega, John V. Zelenyuk, Alla Yu, Xiao-Ying Laskin, Alexander Maughan, David A. TI Effect of hydrophobic primary organic aerosols on secondary organic aerosol formation from ozonolysis of alpha-pinene SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID MASS-SPECTROMETER; OXIDATION; MODEL; CHEMISTRY; EMISSIONS AB Semi-empirical secondary organic aerosol (SOA) models typically assume a well-mixed organic aerosol phase even in the presence of hydrophobic primary organic aerosols (POA). This assumption significantly enhances the modeled SOA yields as additional organic mass is made available to absorb greater amounts of oxidized secondary organic gases than otherwise. We investigate the applicability of this critical assumption by measuring SOA yields from ozonolysis of a-pinene ( a major biogenic SOA precursor) in a smog chamber in the absence and in the presence of dioctyl phthalate (DOP) and lubricating oil seed aerosol. These particles serve as surrogates for urban hydrophobic POA. The results show that these POA did not enhance the SOA yields. If these results are found to apply to other biogenic SOA precursors, then the semiempirical models used in many global models would predict significantly less biogenic SOA mass and display reduced sensitivity to anthropogenic POA emissions than previously thought. C1 Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. Natl Ctr Atmospher Res, Div Atmospher Chem, Boulder, CO 80307 USA. Univ Washington, Dept Atmospher Sci, Seattle, WA 98195 USA. RP Song, C (reprint author), Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Battelle Blvd,POB 999, Richland, WA 99352 USA. EM rahul.zaveri@pnl.gov RI Song, Chen/H-3374-2011; Yu, Xiao-Ying/L-9385-2013; Madronich, Sasha/D-3284-2015; Laskin, Alexander/I-2574-2012; OI Yu, Xiao-Ying/0000-0002-9861-3109; Madronich, Sasha/0000-0003-0983-1313; Laskin, Alexander/0000-0002-7836-8417; Zaveri, Rahul/0000-0001-9874-8807 NR 26 TC 52 Z9 52 U1 1 U2 26 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 OCT 16 PY 2007 VL 34 IS 20 AR L20803 DI 10.1029/2007GL030720 PG 5 WC Geosciences, Multidisciplinary SC Geology GA 224KV UT WOS:000250446800003 ER PT J AU Shindell, DT Faluvegi, G Bauer, SE Koch, DM Unger, N Menon, S Miller, RL Schmidt, GA Streets, DG AF Shindell, Drew T. Faluvegi, Greg Bauer, Susanne E. Koch, Dorothy M. Unger, Nadine Menon, Surabi Miller, Ron L. Schmidt, Gavin A. Streets, David G. TI Climate response to projected changes in short-lived species under an A1B scenario from 2000-2050 in the GISS climate model SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID STRATOSPHERE-TROPOSPHERE EXCHANGE; METHANE EMISSION CONTROLS; OZONE POLLUTION; ART.; AEROSOL; SIMULATIONS; FUTURE; NITROGEN; AIR; PREINDUSTRIAL AB We investigate the climate forcing from and response to projected changes in short-lived species and methane under an A1B scenario from 2000-2050 in the GISS climate model. We present a meta-analysis of new simulations of the full evolution of gas and aerosol species and other existing experiments with variations of the same model. The comparison highlights the importance of several physical processes in determining radiative forcing, especially the effect of climate change on stratosphere- troposphere exchange, heterogeneous sulfate-nitrate-dust chemistry, and changes in methane oxidation and natural emissions. However, the impact of these fairly uncertain physical effects is substantially less than the difference between alternative emission scenarios for all short- lived species. The net global mean annual average direct radiative forcing from the short-lived species is.02 W/m(2) or less in our projections, as substantial positive ozone forcing is largely offset by negative aerosol direct forcing. Since aerosol reductions also lead to a reduced indirect effect, the global mean surface temperature warms by similar to 0.07 degrees C by 2030 and similar to 0.13 degrees C by 2050, adding 19% and 17%, respectively, to the warming induced by long-lived greenhouse gases. Regional direct forcings are large, up to 3.8 W/m(2). The ensemble-mean climate response shows little regional correlation with the spatial pattern of the forcing, however, suggesting that oceanic and atmospheric mixing generally overwhelms the effect of even large localized forcings. Exceptions are the polar regions, where ozone and aerosols may induce substantial seasonal climate changes. C1 NASA, Goddard Inst Space Studies, New York, NY 10025 USA. Columbia Univ, Ctr Climate Syst Res, New York, NY 10025 USA. Univ Vermont, Dept Atmospher Sci, Burlington, VT USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Columbia Univ, Dept Appl Phys & Appl Math, New York, NY USA. Argonne Natl Lab, Argonne, IL 60439 USA. RP Shindell, DT (reprint author), NASA, Goddard Inst Space Studies, New York, NY 10025 USA. EM dshindell@giss.nasa.gov RI Shindell, Drew/D-4636-2012; Schmidt, Gavin/D-4427-2012; Miller, Ron/E-1902-2012; Bauer, Susanne/P-3082-2014; Unger, Nadine/M-9360-2015; OI Schmidt, Gavin/0000-0002-2258-0486; Streets, David/0000-0002-0223-1350 NR 62 TC 30 Z9 30 U1 1 U2 12 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 OCT 16 PY 2007 VL 112 IS D20 AR D20103 DI 10.1029/2007JD008753 PG 19 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 224LU UT WOS:000250449300003 ER PT J AU Thompson, BC Kim, BJ Kavulak, DF Sivula, K Mauldin, C Frechet, JMJ AF Thompson, Barry C. Kim, Bumjoon J. Kavulak, David F. Sivula, Kevin Mauldin, Clayton Frechet, Jean M. J. TI Influence of alkyl substitution pattern in thiophene copolymers on composite fullerene solar cell performance SO MACROMOLECULES LA English DT Article ID THIN-FILM TRANSISTORS; PHOTOVOLTAIC CELLS; POLYTHIOPHENE; POLY(3-HEXYLTHIOPHENE); REGIOREGULARITY; POLYMERS; MOBILITY C1 Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Coll Chem, Berkeley, CA 94720 USA. RP Frechet, JMJ (reprint author), Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM frechet@berkeley.edu RI Kim, Bumjoon J./C-1714-2011; sivula, kevin/I-2250-2013; OI Sivula, Kevin/0000-0002-8458-0270; Frechet, Jean /0000-0001-6419-0163 NR 20 TC 77 Z9 78 U1 0 U2 18 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0024-9297 J9 MACROMOLECULES JI Macromolecules PD OCT 16 PY 2007 VL 40 IS 21 BP 7425 EP 7428 DI 10.1021/ma071649s PG 4 WC Polymer Science SC Polymer Science GA 219MG UT WOS:000250088700002 ER PT J AU Klaehn, JR Luther, TA Orme, CJ Jones, MG Wertsching, AK Peterson, ES AF Klaehn, John R. Luther, Thomas A. Orme, Christopher J. Jones, Michael G. Wertsching, Alan K. Peterson, Eric S. TI Soluble N-substituted organosilane polybenzimidazoles SO MACROMOLECULES LA English DT Article ID CHELATING-AGENTS; ION SELECTIVITY; RESIN; POLYELECTROLYTES; SORPTION; URANYL AB Six N-substituted polybenzimidazole organosilane derivatives (-CH2SiMe2R; R = methyl, vinyl, ally], hexyl, phenyl, and decyl) were synthesized, and they are more soluble in common organic solvents (tetrahydrofuran and chloroform) than the parent polybenzimidazole. Our polymer modification pathway provides a straightforward synthesis that can be carried out at room temperature/pressure and give moderate yields. Solution H-1 NMR spectra of both the parent and deprotonated polybenzimidazoles are reported. On the basis of the NMR analysis in CDCl3, nearly all of the benzimidazole N-H positions (two ligands per repeat unit) are substituted by the organosilane moieties. Some of the modified polymers have comparable thermal properties to the parent polymer, and the average molecular weights are higher for the substituted polybenzimidazoles than the parent PBI. C1 Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Klaehn, JR (reprint author), Idaho Natl Lab, PO Box 1625, Idaho Falls, ID 83415 USA. EM John.Klaehn@inl.gov RI Klaehn, John/C-6011-2017 OI Klaehn, John/0000-0002-7077-4509 NR 42 TC 45 Z9 46 U1 0 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0024-9297 J9 MACROMOLECULES JI Macromolecules PD OCT 16 PY 2007 VL 40 IS 21 BP 7487 EP 7492 DI 10.1021/ma062186d PG 6 WC Polymer Science SC Polymer Science GA 219MG UT WOS:000250088700010 ER PT J AU Luo, W Ahuja, R Ding, Y Mao, HK AF Luo, Wei Ahuja, Rajeev Ding, Yang Mao, Ho-Kwang TI Unusual lattice dynamics of vanadium under high pressure SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE ab initio calculation; phonon; structure phase transition ID PHONON-DISPERSION; PSEUDOPOTENTIALS AB The electronic structures and lattice dynamics of pressure-induced complex phase transitions [bcc -> hRl(110.5 degrees) -> distorted-hRl(108.2') -> bcc] in vanadium as a function of pressure up to 400 GPa have been investigated with an ab initio method using density functional perturbation theory (DFPT). At ambient pressure, the soft transverse acoustic phonon mode corresponding to Kohn anomaly appears at a wave vector q = 2k(F) along [xi 00] Gamma -> H high symmetry direction. The nonclegenerate transverse acoustic branches TA(1) on < 110 > and TA(2) on < 001 > show an exceptionally large split at high symmetry point N (0.5 0.5 0.0). The lattice dynamical instability starts at a pressure of 62 GPa (V/V-0 = 0.78, where V-0 is experimental volume of bcc-V at ambient conditions), derived by phonon softening that results in phase transition of bcc -> hR1 (alpha = 110.5 degrees). At compression around 130 GPa (V/V-0 = 0.67), the rhombohedral angle of hR1 phase changed to 108.2 degrees, and the electronic structure changed drastically. At even higher pressure, approximate to 250 GPa (V/V-0 = 0.57), lattice dynamic calculations show that the bcc structure becomes stable again. C1 Condensed Matter Theory Grp, Dept Phys, SE-75121 Uppsala, Sweden. Royal Inst Technol, Dept Mat Sci & Engn, SE-10044 Stockholm, Sweden. Carnegie Inst Washington, HPSynC Geophys Lab, Argonne, IL 60439 USA. Argonne Natl Lab, Adv Photon Source, HPCAT, Argonne, IL 60439 USA. Carnegie Inst Washington, Geophys Lab, Washington, DC 20015 USA. RP Luo, W (reprint author), Condensed Matter Theory Grp, Dept Phys, Box 530, SE-75121 Uppsala, Sweden. EM wei.luo@fysik.uu.se RI Mao, Hokwang/K-8013-2013; Ding, Yang/K-1995-2014 OI Ding, Yang/0000-0002-8845-4618 NR 14 TC 25 Z9 25 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 OCT 16 PY 2007 VL 104 IS 42 BP 16428 EP 16431 DI 10.1073/pnas.0707377104 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 223MA UT WOS:000250373400010 PM 17925441 ER PT J AU Harris, RC Rudd, JWM Amyot, M Babiarz, CL Beaty, KG Blanchfield, PJ Bodaly, RA Branfireun, BA Gilmour, CC Graydon, JA Heyes, A Hintelmann, H Hurley, JP Kelly, CA Krabbenhoft, DP Lindberg, SE Mason, RP Paterson, MJ Podemski, CL Robinson, A Sandilands, KA Southworth, GR Louis, VLS Tate, MT AF Harris, Reed C. Rudd, John W. M. Amyot, Marc Babiarz, Christopher L. Beaty, Ken G. Blanchfield, Paul J. Bodaly, R. A. Branfireun, Brian A. Gilmour, Cynthia C. Graydon, Jennifer A. Heyes, Andrew Hintelmann, Holger Hurley, James P. Kelly, Carol A. Krabbenhoft, David P. Lindberg, Steve E. Mason, Robert P. Paterson, Michael J. Podemski, Cheryl L. Robinson, Art Sandilands, Ken A. Southworth, George R. Louis, Vincent L. St. Tate, Michael T. TI Whole-ecosystem study shows rapid fish-mercury response to changes in mercury deposition SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE bioaccumulation; mercury methylation; stable isotopes; whole-ecosystem experimentation; methylmercury ID CANADIAN SHIELD LAKES; METHYL MERCURY; NORTHWESTERN ONTARIO; METHYLMERCURY; INCREASES; ACCUMULATION; RESERVOIR; ISOTOPES; FLUXES AB Methylmercury contamination of fisheries from centuries of industrial atmospheric emissions negatively impacts humans and wildlife worldwide. The response of fish methylmercury concentrations to changes in mercury deposition has-been difficult to establish because sediments/soils contain large pools of historical contamination, and many factors in addition to deposition affect fish mercury. To test directly the response of fish contamination to changing mercury deposition, we conducted a whole-ecosystem experiment, increasing the mercury load to a lake and its watershed by the addition of enriched stable mercury isotopes. The isotopes allowed us to distinguish between experimentally applied mercury and mercury already present in the ecosystem and to examine biclaccumulation of mercury deposited to different parts of the watershed. Fish methylmercury concentrations responded rapidly to changes in mercury deposition over the first 3 years of study. Essentially all of the increase in fish methylmercury concentrations came from mercury deposited directly to the lake surface. In contrast, < 1% of the mercury isotope deposited to the watershed was exported to the lake. Steady state was not reached within 3 years. Lake mercury isotope concentrations were still rising in lake biota, and watershed mercury isotope exports to the lake were increasing slowly. Therefore, we predict that mercury emissions reductions will yield rapid (years) reductions in fish methylmercury concentrations and will yield concomitant reductions in risk. However, a full response will be delayed by the gradual export of mercury stored in watersheds. The rate of response will vary among lakes depending on the relative surface areas of water and watershed. C1 R&K Res Inc, Salt Spring Isl, BC V8K 2J3, Canada. Tetra Tech Inc, Oakville, ON L6J 4E6, Canada. Univ Montreal, Dept Biol Sci, Montreal, PQ H3C 3J7, Canada. Univ Wisconsin, Environm Chem & Tech Program, Madison, WI 53706 USA. Fisheries & Oceans Canada, Inst Freshwater, Winnipeg, MB R3T 2N6, Canada. Penobscot River Mercury Study, Salt Spring Isl, BC V8K 2W5, Canada. Univ Toronto, Dept Geog, Mississauga, ON L5L 1C6, Canada. Smithsonian Environm Res Ctr, Edgewater, MD 21037 USA. Univ Alberta, Dept Biol Sci, Edmonton, AB T6G 2E9, Canada. Univ Maryland, Chesapeake Biol Lab, Ctr Environm Sci, Solomons, MD 20688 USA. Trent Univ, Dept Chem, Peterborough, ON K9J 7B8, Canada. US Geol Survey, Middleton, WI 53562 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Univ Connecticut, Dept Marine Sci, Groton, CT 06340 USA. Canadian Forest Serv, Sault Ste Marie, ON P6A 5M7, Canada. RP Rudd, JWM (reprint author), R&K Res Inc, 675 Mt Belcher Hts, Salt Spring Isl, BC V8K 2J3, Canada. EM john_rudd@gulfislandswireless.com RI Amyot, Marc/A-7182-2008; Hurley, James/A-9216-2010; St. Louis, Vincent/G-6842-2011; Heyes, Andrew/E-5269-2012; St. Louis, Vincent/A-3757-2014; Mason, Robert/A-6829-2011; Graydon, Jennifer/G-6853-2011; Gilmour, Cynthia/G-1784-2010 OI Amyot, Marc/0000-0002-0340-3249; Hintelmann, Holger/0000-0002-5287-483X; Gilmour, Cynthia/0000-0002-1720-9498 NR 37 TC 211 Z9 218 U1 19 U2 161 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 OCT 16 PY 2007 VL 104 IS 42 BP 16586 EP 16591 DI 10.1073/pnas.0704186104 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 223MA UT WOS:000250373400037 PM 17901207 ER PT J AU Rodriguez, AT Li, XF Wang, J Steen, WA Fan, HY AF Rodriguez, Adrian T. Li, Xuefa Wang, Jin Steen, William A. Fan, Hongyou TI Facile synthesis of nanostructured carbon through self-assembly between block copolymers and carbohydrates SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article ID ORDERED MESOPOROUS CARBONS; NANOTUBES; SILICA; TEMPLATES; MEMBRANES; RESIN; NANOPARTICLES; MIXTURES; SPHERES; FAMILY AB A simple and direct wet chemistry method is reported to simultaneously synthesize nanostructured carbon films and particles through self-assembly of poly(styrene)-poly(4-vinylpyridine) (PS-P4VP) and carbohydrate precursors (turanose, raffinose, alucose, etc.) in two fabrication processes - spin-coating and aerosol processing. Starting with a homogeneous solution containing PS-P4VP and carbohydrates, evaporation of solvent during either spin-coating or an aerosol process leads to the formation of ordered mesostructured films and particles. High temperature treatment in argon atmosphere removes PS fragments, carbonizes carbohydrates and partial PVP fragments, and results in ordered nanoporous carbon films and particles. SEM, TEM, and GISAXS characterization indicates that these nanostructured carbon materials exhibit large nanopores (>20 nm), controlled 1-3 dimensional structures, and controlled surface chemistry. Nitrogen sorption isotherms and electrochemistry characterization indicates the accessibility of the carbon nanopores to both gas phase and aqueous phase. Results suggest that the nanostructured carbon films and particles can be tuned through solvent annealing, precursor concentration, and choice of block copolymers used. These carbon materials present varied practical applications for sorption and separation, sensors, electrode materials, etc. C1 Sandia Natl Labs, Adv Mat Lab, Albuquerque, NM 87106 USA. Univ New Mexico, NSF, Ctr Microengineered Mat, Dept Chem & Nucl Engn, Albuquerque, NM 87131 USA. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Fan, HY (reprint author), Sandia Natl Labs, Adv Mat Lab, 1001 Univ Blvd SE, Albuquerque, NM 87106 USA. EM hfan@sandia.gov NR 42 TC 32 Z9 32 U1 2 U2 54 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1616-301X EI 1616-3028 J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD OCT 15 PY 2007 VL 17 IS 15 BP 2710 EP 2716 DI 10.1002/adfm.200600952 PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 225OD UT WOS:000250526300012 ER PT J AU Shin, YS Fryxell, G Um, WY Parker, K Mattigod, SV Skaggs, R AF Shin, Yongsoon Fryxell, Glen E. Um, Wooyong Parker, Kent Mattigod, Shas V. Skaggs, Richard TI Sulfur-functionalized mesoporous carbon SO ADVANCED FUNCTIONAL MATERIALS LA English DT Article ID MESOSTRUCTURED SILICA; NANOPOROUS SILICA; MONOLAYERS; MERCURY; ADSORPTION; MERCAPTAN; BASES; ACIDS; HG2+ AB A simple synthesis route to mesoporous carbons that contain heteroaromatic functionality is described. The sulfur-functionalized mesoporous carbon (S-FMC) materials that have been prepared show excellent thermal stability, as well as excellent hydrothermal stability, and stability over a wide range of pH values. These materials also show excellent mercury sorption performance over a broad range of pH, much broader than is possible with thiol-based functionality or most silica-based sorbents. The superior performance of these mesoporous heterocarbons as heavy-metal sorbent material is demonstrated. These materials are shown to be stable at elevated temperatures and extreme pHs, making them ideally suited as a new class of absorbent material. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Shin, YS (reprint author), Pacific NW Natl Lab, Mailstop K2-44,POB 999, Richland, WA 99352 USA. EM glen.fryxell@pnl.gov NR 25 TC 82 Z9 83 U1 9 U2 66 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 1616-301X J9 ADV FUNCT MATER JI Adv. Funct. Mater. PD OCT 15 PY 2007 VL 17 IS 15 BP 2897 EP 2901 DI 10.1002/adfm.200601230 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 225OD UT WOS:000250526300037 ER PT J AU Liu, GD Lin, YY Wang, J Wu, H Wai, CM Lin, YH AF Liu, Guodong Lin, Ying-Ying Wang, Jun Wu, Hong Wai, Chien M. Lin, Yuehe TI Disposable electrochemical immunosensor diagnosis device based on nanoparticle probe and immunochromatographic strip SO ANALYTICAL CHEMISTRY LA English DT Article ID PROSTATE-SPECIFIC ANTIGEN; MICROPIPETTE TIP; ASSAY; IMMUNOASSAY; LABEL; MEMBRANE AB We describe a disposable electrochemical immunosensor diagnosis device that integrates the inummochromatographic strip technique with an electrochemical immunoassay and exploits quantum dot (QD, CdS@ZnS) as labels for amplifying signal output. The device takes advantage of the speed and low cost of the conventional inummochromatographic strip test and the high sensitivity of the nanoparticle-based electrochemical immunoassay. A sandwich immunoreaction was performed on the immunochromatographic strip, and the captured QD labels in the test zone were determined by highly sensitive stripping voltammetric measurement of the dissolved metallic component (cadmium) with a disposable screen-printed electrode, which is embedded underneath the membrane on the test zone. The new device coupled with a portable electrochemical analyzer shows great promise for in-field and point-of-care quantitative testing of disease-related protein biomarkers. The parameters (e.g., voltammetric measurement of QD labels, antibody immobilization, the loading amount of QD-antibody, and the immunoreaction time) that govern the sensitivity and reproducibility of the device were optimized with IgG model analyte. The voltammetric response of the optimized device is highly linear over the range of 0.1-10 ng mL(-1) IgG, and the limit of detection is estimated to be 30 pg mL(-1) in association with a 7-min immunoreaction time. The detection limit was improved to 10 pg mL(-1) using a 20-min immunoreaction time. The device has been successfully applied for the detection of prostate-specific antigen (PSA) in human serum sample with a detection limit of 20 pg mL(-1). The results were validated by using the commercial PSA enzyme-linked immunosorbent assay kit and showed high consistency. The new disposable electrochemical diagnosis device thus provides a rapid, clinically accurate, and quantitative tool for protein biomarker detection. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Univ Idaho, Dept Chem, Moscow, ID 83843 USA. RP Lin, YH (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM yuehe.lin@pnl.gov RI Lin, Yuehe/D-9762-2011 OI Lin, Yuehe/0000-0003-3791-7587 FU NINDS NIH HHS [NS058161-01]; NIOSH CDC HHS [R01 OH008173-01] NR 36 TC 153 Z9 158 U1 7 U2 79 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 OCT 15 PY 2007 VL 79 IS 20 BP 7644 EP 7653 DI 10.1021/ac070691i PG 10 WC Chemistry, Analytical SC Chemistry GA 220QW UT WOS:000250173200007 PM 17877418 ER PT J AU Schilling, GD Andrade, FJ Barnes, JH Sperline, RP Denton, MB Barinaga, CJ Koppenaal, DW Hieftje, GM AF Schilling, Gregory D. Andrade, Francisco J. Barnes, James H. Sperline, Roger P. Denton, M. Bonner Barinaga, Charles J. Koppenaal, David W. Hieftje, Gary M. TI Continuous simultaneous detection in mass Spectrometry SO ANALYTICAL CHEMISTRY LA English DT Article ID INDUCTIVELY-COUPLED PLASMA; ABLATION-ICP-MS; ELEMENTAL FRACTIONATION; ARRAY DETECTOR; SOLID SAMPLES; DUTY CYCLE; SPECTROGRAPH; PERFORMANCE; ACCUMULATION; IONIZATION AB In mass spectrometry, several advantages can be derived when multiple mass-to-charge values are detected simultaneously and continuously. One such advantage is an improved duty cycle, which leads to superior limits of detection, better precision, shorter analysis times, and reduced sample sizes. A second advantage is the ability to reduce correlated noise by taking the ratio of two or more simultaneously collected signals, enabling greatly enhanced isotope ratio data. A final advantage is the elimination of spectral skew, leading to more accurate transient signal analysis. Here, these advantages are demonstrated by means of a novel Faraday-strip array detector coupled to a Mattauch-Herzog mass spectrograph. The same system is used to monitor elemental fractionation phenomena in laser ablation inductively coupled plasma mass spectrometry. C1 Indiana Univ, Dept Chem, Bloomington, IN 47405 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Arizona, Dept Chem, Tucson, AZ 85721 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Hieftje, GM (reprint author), Indiana Univ, Dept Chem, Bloomington, IN 47405 USA. NR 35 TC 40 Z9 40 U1 2 U2 23 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 J9 ANAL CHEM JI Anal. Chem. PD OCT 15 PY 2007 VL 79 IS 20 BP 7662 EP 7668 DI 10.1021/ac070785s PG 7 WC Chemistry, Analytical SC Chemistry GA 220QW UT WOS:000250173200009 PM 17877420 ER PT J AU Smentkowski, VS Ostrowski, SG Braunstein, E Keenan, MR Ohlhausen, JAT Kotula, PG AF Smentkowski, V. S. Ostrowski, S. G. Braunstein, E. Keenan, M. R. Ohlhausen, J. A. Tony Kotula, P. G. TI Multivariate statistical analysis of three-spatial-dimension TOF-SIMS raw data sets SO ANALYTICAL CHEMISTRY LA English DT Article ID ION MASS-SPECTROMETRY; SPECTRAL IMAGES; MICROANALYSIS AB Three-spatial-dimension (3D) time-of-flight-secondary ion mass spectrometry (TOF-SIMS) analysis can be performed if an X-Y image is saved at each depth of a depth profile. In this paper, we will show how images reconstructed from specified depths, depth profiles generated from specific X-Y coordinates, as well as three-spatial-dimensional rendering provide for a better understanding of the sample than traditional depth profiling where only a single spectrum is collected at each depth. We will also demonstrate, for the first time, that multivariate statistical analysis (MVSA) tools can be used to perform a rapid, unbiased analysis of the entire 3D data set. In the example shown here, retrospective analysis and MVSA revealed a more complete picture of the 3D chemical distribution of the sample than did the as-measured depth profiling alone. Color overlays of the MVSA components as well as animated movies allowing for visualization (in 3D) from various angles will be provided. C1 Gen Elect, Global Res, New York, NY 12309 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. Lockheed Martin Missiles & Fire Control, Orlando, FL 32819 USA. RP Smentkowski, VS (reprint author), Gen Elect, Global Res, New York, NY 12309 USA. EM smentkow@research.ge.com RI Kotula, Paul/A-7657-2011 OI Kotula, Paul/0000-0002-7521-2759 NR 11 TC 14 Z9 14 U1 2 U2 5 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 OCT 15 PY 2007 VL 79 IS 20 BP 7719 EP 7726 DI 10.1021/ac071019o PG 8 WC Chemistry, Analytical SC Chemistry GA 220QW UT WOS:000250173200016 PM 17854159 ER PT J AU Gaucher, SP Morrow, JA Faulon, JLM AF Gaucher, Sara P. Morrow, Jeffrey A. Faulon, Jean-Loup M. TI Use of a designed peptide array to infer dissociation trends for nontryptic peptides in quadrupole ion trap and quadrupole time-of-flight mass spectrometry SO ANALYTICAL CHEMISTRY LA English DT Article ID COLLISION-INDUCED DISSOCIATION; SURFACE-INDUCED DISSOCIATION; PROTONATED TRYPTIC PEPTIDES; LOW-ENERGY; STATISTICAL CHARACTERIZATION; FRAGMENTATION; SPECTRA; CLEAVAGE; INTENSITY; RESIDUES AB Observed peptide gas-phase fragmentation patterns are a complex function of many variables. To systematically probe this phenomenon, an array of 40 peptides was synthesized for study. The array of sequences was designed to hold certain variables (peptide length) constant and randomize or balance others (peptide amino acid distribution and position). A high-quality tandem mass spectrometry (MS/MS) data set was acquired for each peptide for all observed charge states on multiple MS instruments, quadrupole-time-of-flight and quadrupole ion trap. The data were analyzed as a function of total charge state and number of mobile protons. Previously known dissociation trends were observed, validating our approach. In addition, the general influence of basic amino acids on dissociation could be determined because, in contrast to the more widely studied tryptic peptides, the amino acids H, I and R were positionally distributed. Interestingly, our results suggest that cleavage at all basic amino acids is suppressed when a mobile proton is available. Cleavage at H becomes favored only under conditions where a partially mobile proton is present, a caveat to the previously reported trend of enhanced cleavage at H. Finally, all acquired data were used as a benchmark to determine how well these sequences would have been identified in a database search using a common algorithm, Mascot. C1 Sandia Natl Labs, Livermore, CA 94550 USA. Sierra Analyt, Modesto, CA 95356 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Faulon, JLM (reprint author), Sandia Natl Labs, Livermore, CA 94550 USA. EM jfaulon@sandia.gov NR 37 TC 1 Z9 1 U1 1 U2 4 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 OCT 15 PY 2007 VL 79 IS 20 BP 7822 EP 7830 DI 10.1021/ac070557y PG 9 WC Chemistry, Analytical SC Chemistry GA 220QW UT WOS:000250173200030 PM 17854158 ER PT J AU Ibrahim, Y Belov, ME Tolmachev, AV Prior, DC Smith, RD AF Ibrahim, Yehia Belov, Mikhail E. Tolmachev, Aleksey V. Prior, David C. Smith, Richard D. TI Ion funnel trap interface for orthogonal time-of-flight mass spectrometry SO ANALYTICAL CHEMISTRY LA English DT Article ID SENSITIVITY ELECTROSPRAY-IONIZATION; AXIAL-FIELD; PERFORMANCE; DECOMPOSITION; ACCUMULATION; CAPABILITIES; REFLECTRON; SYSTEM; GUIDE AB A combined electrodynamic ion funnel and ion trap coupled to an orthogonal acceleration (oa)-time-of-flight mass spectrometer was developed and characterized. The ion trap was incorporated through the use of added terminal electrodynamic ion funnel electrodes enabling control over the axial dc gradient in the trap section. The ion trap operates efficiently at a pressure of similar to 1 Torr, and measurements indicate a maximum charge capacity of similar to 3 x 10(7) charges. An order of magnitude increase in sensitivity was observed in the analysis of low concentration peptides mixtures with orthogonal acceleration (oa)time-of-flight mass spectrometry (oa-TOF MS) in the trapping mode as compared to the continuous regime. A signal increase in the trapping mode was accompanied by reduction in the chemical background, due to more efficient desolvation of, for example, solvent related clusters. Controlling the ion trap ejection time was found to result in efficient removal of singly charged species and improving signal-to-noise ratio (S/N) for the multiply charged analytes. C1 Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. RP Belov, ME (reprint author), Pacific NW Natl Lab, Div Biol Sci, POB 999-MS K8-98, Richland, WA 99352 USA. EM mikhail.belov@pnl.gov RI Smith, Richard/J-3664-2012 OI Smith, Richard/0000-0002-2381-2349 FU NCI NIH HHS [CA126191, R21 CA126191, R21 CA126191-01]; NIAID NIH HHS [Y1-AI-4894-01] NR 35 TC 42 Z9 42 U1 3 U2 37 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0003-2700 EI 1520-6882 J9 ANAL CHEM JI Anal. Chem. PD OCT 15 PY 2007 VL 79 IS 20 BP 7845 EP 7852 DI 10.1021/ac071091m PG 8 WC Chemistry, Analytical SC Chemistry GA 220QW UT WOS:000250173200033 PM 17850113 ER PT J AU Feldmann, DM Ugurlu, O Maiorov, B Stan, L Holesinger, TG Civale, L Foltyn, SR Jia, QX AF Feldmann, D. M. Ugurlu, O. Maiorov, B. Stan, L. Holesinger, T. G. Civale, L. Foltyn, S. R. Jia, Q. X. TI Influence of growth temperature on critical current and magnetic flux pinning structures in YBa2Cu3O7-x SO APPLIED PHYSICS LETTERS LA English DT Article ID COATED CONDUCTORS; THIN-FILMS AB We have studied the critical current density (J(c)) as a function of applied magnetic field (H) magnitude and orientation for similar to 1-mu m-thick YBa2Cu3O7-x films grown by pulsed laser deposition at growth temperatures (T-g) from 730 to 870 degrees C. With changing T-g, alternately a high density of planar defects (YBa2Cu4Ox intergrowths) or columnar defects (Y-Cu-O nanocolumns) are introduced. These defects produce a maximum for J(c)(H similar to 1 T) parallel to the plane of the film or the film normal, respectively. For T-g >= 830 degrees C, we present evidence of a Ba-Cu-O liquid phase during growth, which results in a dramatic change in both the microstructure of the films and magnetic field orientation dependence of J(c). (C) 2007 American Institute of Physics. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Feldmann, DM (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM dmfeldmann@lanl.gov RI Jia, Q. X./C-5194-2008; OI Maiorov, Boris/0000-0003-1885-0436; Civale, Leonardo/0000-0003-0806-3113 NR 13 TC 29 Z9 29 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 OCT 15 PY 2007 VL 91 IS 16 AR 162501 DI 10.1063/1.2799875 PG 3 WC Physics, Applied SC Physics GA 222KR UT WOS:000250295700047 ER PT J AU Lei, Y Guo, ZX Zhu, WG Meng, S Zhang, ZY AF Lei, Yang Guo, Zheng Xiao Zhu, Wenguang Meng, Sheng Zhang, Zhenyu TI Initial interactions between water molecules and Ti-adsorbed carbon nanotubes SO APPLIED PHYSICS LETTERS LA English DT Article ID HYDROGEN; STORAGE; ENERGY; PSEUDOPOTENTIALS; POINTS; ARRAYS AB Spin-polarized first-principles calculations were employed to study the initial stages of water interactions with Ti-doped carbon nanotubes (CNTs), aiming to explore their potentials for water splitting to generate hydrogen or as practical hydrogen storage systems involving moisture. The rate-limiting barrier for splitting the first H(2)O is 0.48 eV on a semiconducting (8,0) CNT, and 0.41 eV on a metallic (5,5) CNT. The barrier for splitting the second H(2)O is only 0.12 eV, accompanied by the formation and release of a H(2) molecule. (C) 2007 American Institute of Physics. C1 Univ London Queen Mary, Dept Mat, London E1 4NS, England. UCL, Dept Chem, London WC1E 6BT, England. Harvard Univ, Div Engn & Appl Sci, Dept Phys, Cambridge, MA 02138 USA. Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Guo, ZX (reprint author), Univ London Queen Mary, Dept Mat, London E1 4NS, England. EM z.x.guo@ucl.ac.uk RI Zhu, Wenguang/F-4224-2011; Meng, Sheng/A-7171-2010; Guo, Zheng Xiao/C-1706-2009 OI Zhu, Wenguang/0000-0003-0819-595X; Meng, Sheng/0000-0002-1553-1432; Guo, Zheng Xiao/0000-0001-5404-3215 NR 21 TC 7 Z9 7 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD OCT 15 PY 2007 VL 91 IS 16 AR 161906 DI 10.1063/1.2793182 PG 3 WC Physics, Applied SC Physics GA 222KR UT WOS:000250295700029 ER PT J AU Patel, U Avci, S Xiao, ZL Hua, J Yu, SH Ito, Y Divan, R Ocola, LE Zheng, C Claus, H Hiller, J Welp, U Miller, DJ Kwok, WK AF Patel, U. Avci, S. Xiao, Z. L. Hua, J. Yu, S. H. Ito, Y. Divan, R. Ocola, L. E. Zheng, C. Claus, H. Hiller, J. Welp, U. Miller, D. J. Kwok, W. K. TI Synthesis and superconducting properties of niobium nitride nanowires and nanoribbons SO APPLIED PHYSICS LETTERS LA English DT Article ID MGB2 NANOWIRES; NBN; ELECTRODEPOSITION; PERFORMANCE; METALS; MIXERS; NBSE3 AB Superconducting niobium nitride wires and ribbons with transverse dimensions down to tens of nanometers were synthesized by annealing NbSe3 nanostructure precursors in flowing ammonia gas at temperatures up to 1000 degrees C. Their critical temperatures increase with increasing annealing temperatures and reach 9-11.2 K when sintered at 950 degrees C or above. X-ray diffraction analyses identified Nb4N5 and Nb5N6 phases, dominating at annealing temperatures below and above 950 degrees C, respectively. Transport measurements show magnetoresistance oscillations at temperatures near the superconducting transition due to vortex-row confinement effects and voltage jumps in current-voltage characteristics at low temperatures attributed to hot-spot behavior. (C) 2007 American Institute of Physics. C1 No Illinois Univ, Dept Phys, De Kalb, IL 60115 USA. Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. No Illinois Univ, Dept Chem & Biochem, De Kalb, IL 60115 USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Xiao, ZL (reprint author), No Illinois Univ, Dept Phys, De Kalb, IL 60115 USA. EM xiao@anl.gov RI Hiller, Jon/A-2513-2009; Patel, Umeshkumar/A-8643-2013; YU, SUHONG/G-7532-2015 OI Hiller, Jon/0000-0001-7207-8008; Patel, Umeshkumar/0000-0002-8259-1646; YU, SUHONG/0000-0003-2554-6520 NR 28 TC 21 Z9 21 U1 5 U2 35 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 OCT 15 PY 2007 VL 91 IS 16 AR 162508 DI 10.1063/1.2800809 PG 3 WC Physics, Applied SC Physics GA 222KR UT WOS:000250295700054 ER PT J AU Potzger, K Zhou, SQ Reuther, H Kuepper, K Talut, G Helm, M Fassbender, J Denlinger, JD AF Potzger, K. Zhou, Shengqiang Reuther, H. Kuepper, K. Talut, G. Helm, M. Fassbender, J. Denlinger, J. D. TI Erratum: "Suppression of secondary phase formation in Fe implanted ZnO single crystals" [Appl. Phys. Lett. 91, 062107 (2007)] SO APPLIED PHYSICS LETTERS LA English DT Correction C1 Forschungszentrum, Inst Ion Beam Phys, Mat Res, D-01314 Dresden, Germany. Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Potzger, K (reprint author), Forschungszentrum, Inst Ion Beam Phys, Mat Res, PO Box 510119, D-01314 Dresden, Germany. EM k.potzger@fzd.de RI Fassbender, Juergen/A-8664-2008; Helm, Manfred/B-2284-2009; Kupper, Karsten/G-1397-2016 OI Fassbender, Juergen/0000-0003-3893-9630; NR 1 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD OCT 15 PY 2007 VL 91 IS 16 AR 169901 DI 10.1063/1.2800892 PG 1 WC Physics, Applied SC Physics GA 222KR UT WOS:000250295700094 ER PT J AU Zhong, HX Chen, XB Zhang, HM Wang, MR Mao, SS AF Zhong, Hexiang Chen, Xiaobo Zhang, Huamin Wang, Meiri Mao, Samuel S. TI Proton exchange membrane fuel cells with chromium nitride nanocrystals as electrocatalysts SO APPLIED PHYSICS LETTERS LA English DT Article ID OXYGEN REDUCTION REACTION; TUNGSTEN CARBIDE; CATALYSTS; NANOPARTICLES; ELECTRODES; DEPOSITION; BEHAVIOR AB Polymer electrolyte membrane fuel cells (PEMFCs) are energy conversion devices that produce electricity from a supply of fuel, such as hydrogen. One of the major challenges in achieving efficient energy conversion is the development of cost- effective materials that can act as electrocatalysts for PEMFCs. In this letter, we demonstrate that, instead of conventional noble metals, such as platinum, chromium nitride nanocrystals of fcc structure exhibit attractive catalytic activity for PEMFCs. Device testing indicates good stability of nitride nanocrystals in low temperature fuel cell operational environment. (C) 2007 American Institute of Physics. C1 Chinese Acad Sci, Dalian Inst Chem Phys, Key Mat Lab PEMFC, Dalian 116023, Peoples R China. Chinese Acad Sci, Grad Sch, Beijing 100039, Peoples R China. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Zhang, HM (reprint author), Chinese Acad Sci, Dalian Inst Chem Phys, Key Mat Lab PEMFC, Dalian 116023, Peoples R China. EM zhanghm@dicp.ac.cn; ssmao@lbl.gov NR 22 TC 14 Z9 17 U1 0 U2 13 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD OCT 15 PY 2007 VL 91 IS 16 AR 163103 DI 10.1063/1.2800288 PG 3 WC Physics, Applied SC Physics GA 222KR UT WOS:000250295700068 ER PT J AU Luo, SN Peralta, PD Ma, C Paisley, DL Greenfield, SR Loomis, EN AF Luo, Sheng-Nian Peralta, Pedro D. Ma, Chi Paisley, Dennis L. Greenfield, Scott R. Loomis, Eric N. TI Sapphire (0001) surface modifications induced by long-pulse 1054 nm laser irradiation SO APPLIED SURFACE SCIENCE LA English DT Article DE sapphire; laser irradiation; spall; fracture; twinning; nanocrystals ID SINGLE-CRYSTALS; TEMPERATURE; ALUMINA; DEFORMATION; SLIP; DIFFRACTION; DAMAGE AB We have investigated modifications of sapphire (0001) surface with and without coating, induced by a single laser pulse with a 1054 nm wavelength, 2.2 mu s duration, 7.75 mm spot and energy of 20-110 J. A holographic optical element was used for smoothing the drive beam spatially, but it induced small hotspots which initiated damage on the uncoated and coated surfaces. The individual damage effects of hotspots became less pronounced at high fluences. Due to high temperature and elevated non-hydrostatic stresses upon laser irradiation, damage occurred as fracture, spallation, basal and rhombohedral twinning, melting, vitrification, the formation of nanocrystalline phases, and solid-solid phase transition. The extent of damage increased with laser fluences. The formation of regular linear patterns with three-fold symmetry (< 11 (2) over bar0 > directions) upon fracture was due to rhombohedral twinning. Nanocrystalline alpha-Al2O3 formed possibly from vapor deposition on the coated surface and manifested linear, triangular and spiral growth patterns. Glass and minor amounts of gamma-Al2O3 also formed from rapid quenching of the melt on this side. The alpha- to gamma-Al2O3 transition was observed on the uncoated surface in some partially spalled alumina, presumably caused by shearing. The nominal threshold for laser-induced damage is about 47 J cm(-2) for these laser pulses, and it is about 94 J cm(-2) at the hotspots. (C) 2007 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. CALTECH, Div Geol & Planetary Sci, Pasadena, CA 91125 USA. Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Luo, SN (reprint author), Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA. EM sluo@lanl.gov RI Luo, Sheng-Nian /D-2257-2010 OI Luo, Sheng-Nian /0000-0002-7538-0541 NR 36 TC 9 Z9 9 U1 0 U2 11 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 OCT 15 PY 2007 VL 253 IS 24 BP 9457 EP 9466 DI 10.1016/j.apsusc.2007.06.012 PG 10 WC Chemistry, Physical; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Chemistry; Materials Science; Physics GA 220UE UT WOS:000250182000027 ER PT J AU Hahn, JJ Ghirardi, ML Jacoby, WA AF Hahn, John J. Ghirardi, Maria L. Jacoby, William A. TI Immobilized algal cells used for hydrogen production SO BIOCHEMICAL ENGINEERING JOURNAL LA English DT Article DE immobilized cells; bioreactors; filtration; kinetic parameters ID CHLAMYDOMONAS-REINHARDTII; PHOTOPRODUCTION AB This paper explores the use of the photosynthetic green alga Chlamydomonas reinhardtii bound to solid support particles to produce hydrogen in a two-step cycle. Bound cells are more easily cycled between growth mode and hydrogen production mode. The data indicate that the presence of silica particles does not inhibit the growth of the algae in the sulfur rich growth media. Filtration experiments reveal that the algae effectively bind to the silica particles, as high removal efficiencies are observed. The silica particles appear to approach saturation algae at a mass-loading ratio of about 0.035. In hydrogen production mode, the bound algae perform about as well as free-floating algae in terms of cumulative hydrogen production. A full-factorial experiment is described in which algae concentration was deemed to have a significant effect on cumulative hydrogen production. (C) 2007 Elsevier B.V. All fights reserved. C1 Univ Missouri, Columbia, MO 65211 USA. Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Jacoby, WA (reprint author), Univ Missouri, W2027 Lafferre Hall, Columbia, MO 65211 USA. EM jacoby@missouri.edu RI Ducey, Thomas/A-6493-2011 NR 11 TC 22 Z9 22 U1 0 U2 7 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 1369-703X J9 BIOCHEM ENG J JI Biochem. Eng. J. PD OCT 15 PY 2007 VL 37 IS 1 BP 75 EP 79 DI 10.1016/j.bej.2007.03.010 PG 5 WC Biotechnology & Applied Microbiology; Engineering, Chemical SC Biotechnology & Applied Microbiology; Engineering GA 230VF UT WOS:000250903500009 ER PT J AU Reed, C Fofanov, V Putonti, C Chumakov, S Slezak, T Fofanov, Y AF Reed, Chris Fofanov, Viacheslav Putonti, Catherine Chumakov, Sergei Slezak, Tom Fofanov, Yuriy TI Effect of the mutation rate and background size on the quality of pathogen identification SO BIOINFORMATICS LA English DT Article ID MITOCHONDRIAL-DNA; SEQUENCES; GENOME; MICROARRAY; SIGNATURE; EVOLUTION; HOTSPOTS AB Motivation: Genomic-based methods have significant potential for fast and accurate identification of organisms or even genes of interest in complex environmental samples (air, water, soil, food, etc.), especially when isolation of the target organism cannot be performed by a variety of reasons. Despite this potential, the presence of the unknown, variable and usually large quantities of background DNA can cause interference resulting in false positive outcomes. Results: In order to estimate how the genomic diversity of the background (total length of all of the different genomes present in the background), target length and target mutation rate affect the probability of misidentifications, we introduce a mathematical definition for the quality of an individual signature in the presence of a background based on its length and number of mismatches needed to transform the signature into the closest subsequence present in the background. This definition, in conjunction with a probabilistic framework, allows one to predict the minimal signature length required to identify the target in the presence of different sizes of backgrounds and the effect of the target's mutation rate on the quality of its identification. The model assumptions and predictions were validated using both Monte Carlo simulations and real genomic data examples. The proposed model can be used to determine appropriate signature lengths for various combinations of target and background genome sizes. It also predicted that any genomic signatures will be unable to identify target if its mutation rate is >5%. C1 Univ Houston, Dept Comp Sci, Houston, TX 77204 USA. Rice Univ, Dept Stat, Houston, TX 77005 USA. Univ Houston, Dept Biol & Biochem, Houston, TX 77204 USA. Univ Guadalajara, CUCEI, Dept Fis, Guadalajara 44430, Jalisco, Mexico. Lawrence Livermore Natl Lab, Dept Computat, Livermore, CA 94550 USA. RP Fofanov, Y (reprint author), Univ Houston, Dept Comp Sci, 501 Philip G Hoffman Hall, Houston, TX 77204 USA. EM yfofanov@bioinfo.uh.edu NR 31 TC 5 Z9 5 U1 1 U2 1 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1367-4803 J9 BIOINFORMATICS JI Bioinformatics PD OCT 15 PY 2007 VL 23 IS 20 BP 2665 EP 2671 DI 10.1093/bioinformatics/btm420 PG 7 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Computer Science, Interdisciplinary Applications; Mathematical & Computational Biology; Statistics & Probability SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Computer Science; Mathematical & Computational Biology; Mathematics GA 227QW UT WOS:000250673900003 PM 17881407 ER PT J AU Lin, FL van Halbeek, H Bertozzi, CR AF Lin, Fiona L. van Halbeek, Herman Bertozzi, Carolyn R. TI Synthesis of mono- and dideoxygenated alpha,alpha-trehalose analogs SO CARBOHYDRATE RESEARCH LA English DT Article DE deoxytrehalose; deoxygenation; mycobacterial sulfotransferase; NMR spectroscopy ID ACID RELATED-COMPOUNDS; MYCOBACTERIUM-TUBERCULOSIS; CHEMICAL MODIFICATION; SULFOLIPID-I; CORRELATION SPECTROSCOPY; EFFICIENT DEOXYGENATION; COUPLING-CONSTANTS; SECONDARY ALCOHOLS; GENERAL PROCEDURE; NMR-SPECTROSCOPY AB In this work, we describe the synthesis and NMR characterization of four mono- and four dideoxygenated analogs of alpha,alpha-D-trehalose, The symmetrical (2,2'-, 3,3'-, 4,4'- and 6,6'-) dideoxy analogs were obtained via selective protection and subsequent radical deoxygenation ofthe desired hydroxyl group set. The unsymmetrical (2'-, 3'-, 4- and 6'-) monodeoxy analogs were synthesized by desymmetrization of alpha,alpha-trehalose and subsequent deoxygenation under radical conditions. Complete assignment of all 1H and (13)C resonances in the spectra of these deoxytrehaloses was achieved through the extensive use of 2D {(1)H,(1)H} and {(1)H(13)C} correlation NMR experiments. The synthesis of these trehalose analogs sets the stage for future biochemical and NMR-based studies to probe the substrate interactions of trehalose with the recently identified mycobacterial sulfotransferase StfO. (c) 2007 Elsevier Ltd. All rights reserved. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Bertozzi, CR (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM crb@berkeley.edu FU NIAID NIH HHS [R01 AI051622-05, AI51622, R01 AI051622] NR 56 TC 16 Z9 16 U1 2 U2 7 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0008-6215 J9 CARBOHYD RES JI Carbohydr. Res. PD OCT 15 PY 2007 VL 342 IS 14 BP 2014 EP 2030 DI 10.1016/j.carres.2007.05.009 PG 17 WC Biochemistry & Molecular Biology; Chemistry, Applied; Chemistry, Organic SC Biochemistry & Molecular Biology; Chemistry GA 206NX UT WOS:000249191300005 PM 17559818 ER PT J AU Chambers, SA Cheung, SH Shutthanandan, V Thevuthasan, S Bowman, MK Joly, AG AF Chambers, S. A. Cheung, S. H. Shutthanandan, V. Thevuthasan, S. Bowman, M. K. Joly, A. G. TI Properties of structurally excellent N-doped TiO(2) rutile SO CHEMICAL PHYSICS LA English DT Article DE molecular beam epitaxy ID VISIBLE-LIGHT; SINGLE-CRYSTALS; TIO2(110); PHOTOACTIVITY; ORIGIN; OXIDES; FILMS AB We have used plasma-assisted molecular beam epitaxy to synthesize structurally near-perfect crystalline films of TiO(2-x)N(x) rutile for the first time. These materials allow the properties of TiO(2-x)N(x), to be elucidated without the interfering effects of bulk substoichiometric defects that have characterized previous investigations. In the absence of such defects, the extent of N incorporation in the lattice is limited to similar to 2 +/- at.% of the anions. Substitutional N (N(o)) exhibits a -3 formal charge due to charge transfer from shallow-donor interstitial Ti(III), which forms during epitaxial growth. Hybridization between No and adjacent lattice Ti ions occurs, resulting in new states at the top of the rutile valence band and an apparent band gap reduction of similar to 0.6 eV. (C) 2007 Elsevier B.V. All rights reserved. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Univ Alabama, Dept Chem, Tuscaloosa, AL 35487 USA. RP Chambers, SA (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM sa.chambers@pnl.gov RI Bowman, Michael/F-4265-2011 OI Bowman, Michael/0000-0003-3464-9409 NR 31 TC 52 Z9 56 U1 2 U2 15 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0301-0104 J9 CHEM PHYS JI Chem. Phys. PD OCT 15 PY 2007 VL 339 IS 1-3 BP 27 EP 35 DI 10.1016/j.chemphys.2007.04.024 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 226QY UT WOS:000250604800007 ER PT J AU Liu, JQ de la Garza, L Zhang, LG Dimitrijevic, NM Zuo, XB Tiede, DM Rajh, T AF Liu, Jianqin de la Garza, Linda Zhang, Ligang Dimitrijevic, Nada M. Zuo, Xiaobing Tiede, David M. Rajh, Tijana TI Photocatalytic probing of DNA sequence by using TiO2/dopamine-DNA triads SO CHEMICAL PHYSICS LA English DT Article DE charge separation; DNA; hybrid nanoparticles; titanium dioxide; photoelectrochemistry ID INTERFACIAL ELECTRON-TRANSFER; PHOTOINDUCED CHARGE-TRANSFER; RADICAL-CATION MIGRATION; STEP HOLE TRANSPORT; DUPLEX DNA; HOPPING MECHANISM; TIO2; DYNAMICS; SURFACE; SEMICONDUCTOR AB A method to control charge transfer reaction in DNA using hybrid nanometer-sized TiO2 nanoparticles was developed. In this system extended charge separation reflects the sequence of DNA and was measured using metallic silver deposition or by photocurrent response. Light-induced extended charge separation in these systems was found to be dependent on the DNA-bridge length and sequence. The yield of photocatalytic deposition of silver was studied in systems having GG accepting sites imbedded in AT runs at varying distances from the TiO2 nanoparticle surface. Weak distance dependence of charge separation indicative of a hole hopping through mediating adenine (A) sites was found. The quantum yield of silver deposition in the system having a GG accepting site placed 8.5 angstrom from the nanoparticle surface was found to be Phi = 0.70 (70%) and Phi = 0.56 (56%) for (A)(n) and (AT)(n/2) bridge, respectively. Hole injection to GG trapping sites as far as 70 A from a nanoparticle surface in the absence of G hopping sites was measured. Introduction of G hopping sites increased the efficiency of hole injection. The efficiency of photocatalytic deposition of metallic silver was found to be sensitive to the presence of a single nucleobase mismatch in the DNA sequence. (C) 2007 Elsevier B.V. All rights reserved. C1 Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. RP Rajh, T (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. EM rajh@anl.gov RI Zuo, Xiaobing/F-1469-2010 NR 70 TC 26 Z9 26 U1 2 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0301-0104 J9 CHEM PHYS JI Chem. Phys. PD OCT 15 PY 2007 VL 339 IS 1-3 BP 154 EP 163 DI 10.1016/j.chemphys.2007.07.040 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 226QY UT WOS:000250604800019 ER PT J AU Vega-Arroyo, M LeBreton, PR Zapol, P Curtiss, LA Rajh, T AF Vega-Arroyo, Manuel LeBreton, Pierre R. Zapol, Peter Curtiss, Larry A. Rajh, Tijana TI Quantum chemical study of TiO2/dopamine-DNA triads SO CHEMICAL PHYSICS LA English DT Article DE anatase; nanoparticle; titanium oxide; DNA; photoexcitation; ionization potential; oxidation potential; density functional theory ID NUCLEOTIDE IONIZATION-POTENTIALS; WATER-COUNTERION ENVIRONMENTS; DENSITY-FUNCTIONAL THEORY; B-DNA DODECAMER; ELECTRON-TRANSFER; CHARGE-TRANSFER; MECHANICAL EVALUATION; TITANIUM-DIOXIDE; AQUEOUS-SOLUTION; ENERGETICS AB Photoinduced charge separation in triads of DNA covalently linked to an anatase nanoparticle via a dopamine bridge was studied by ab initio calculations of the oxidation potentials of carboxyl-DNA trimers and the TiO2/dopamine complex. Conjugation of dopamine to the TiO2 surface results in a lower oxidation potential of the complex relative to the surface and in localization of photogenerated holes on dopamine, while photogenerated electrons are excited into the conduction band of TiO2. Linking dopamine to the DNA trimers at the 5 ' end of the oligonucleotide may lead to further hole migration to the DNA. Calculations show that for several different sequences hole migration is favorable in double stranded DNA and unfavorable in single-stranded DNA. This extended charge separation was shown to follow from the redox properties of DNA sequence rather than from the modification of DNA's electron donating properties by the dopamine linker, which explains experimental observations. (C) 2007 Published by Elsevier B.V. C1 Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. Univ Illinois, Dept Chem, Chicago, IL 60607 USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Zapol, P (reprint author), Argonne Natl Lab, Div Chem, 9700 S Cass Ave, Argonne, IL 60439 USA. EM zapol@anl.gov RI Zapol, Peter/G-1810-2012 OI Zapol, Peter/0000-0003-0570-9169 NR 48 TC 11 Z9 11 U1 2 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0301-0104 J9 CHEM PHYS JI Chem. Phys. PD OCT 15 PY 2007 VL 339 IS 1-3 BP 164 EP 172 DI 10.1016/j.chemphys.2007.06.037 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 226QY UT WOS:000250604800020 ER PT J AU Kvashnina, KO Butorin, SM Modin, A Soroka, . Marcellini, M Nordgren, J Guo, JH Werme, L AF Kvashnina, K. O. Butorin, S. M. Modin, A. Soroka, . Marcellini, M. Nordgren, J. Guo, J. -H. Werme, L. TI In situ X-ray absorption study of copper films in ground water solutions SO CHEMICAL PHYSICS LETTERS LA English DT Article ID BICARBONATE IONS; CORROSION; SPECTROSCOPY; STABILITY AB This study illustrates how the damage from copper corrosion can be reduced by modifying the chemistry of the copper surface environment. The surface modification of oxidized copper films induced by chemical reaction with Cl- and HCO3- in aqueous solutions was monitored by in situ X-ray absorption spectroscopy. The results show that corrosion of copper can be significantly reduced by adding even a small amount of sodium bicarbonate. The studied copper films corroded quickly in chloride solutions, whereas the same solution containing 1.1 mM HCO3- prevented or slowed down the corrosion processes. (c) 2007 Elsevier B.V. All rights reserved. C1 Uppsala Univ, Dept Phys, S-75121 Uppsala, Sweden. Uppsala Univ, Dept Chem Mat, S-75121 Uppsala, Sweden. Univ Calif Berkeley, Lawrence Berkeley Lab, Adv Light Source, Berkeley, CA 94720 USA. Svensk Karnbranslehantering AB, SE-10240 Stockholm, Sweden. RP Kvashnina, KO (reprint author), Uppsala Univ, Dept Phys, Box 530, S-75121 Uppsala, Sweden. EM kristina.kvashnina@esrf.fr RI Marcellini, Moreno/H-1011-2011; Kvashnina, Kristina/O-2374-2016; OI Kvashnina, Kristina/0000-0003-4447-4542; Marcellini, Moreno/0000-0002-1434-5611 NR 20 TC 6 Z9 6 U1 0 U2 10 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 OCT 15 PY 2007 VL 447 IS 1-3 BP 54 EP 57 DI 10.1016/j.cplett.2007.09.001 PG 4 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 228DR UT WOS:000250708000011 ER PT J AU Park, BH Ostrouchov, G Samatova, NF AF Park, Byung-Hoon Ostrouchov, George Samatova, Nagiza F. TI Sampling Streaming data with replacement SO COMPUTATIONAL STATISTICS & DATA ANALYSIS LA English DT Article DE data stream mining; random sampling with replacement; reservoir sampling ID RESERVOIR AB Simple random sampling is a widely accepted basis for estimation from a population. When data come as a stream, the total population size continuously grows and only one pass through the data is possible. Reservoir sampling is a method of maintaining a fixed size random sample from streaming data. Reservoir sampling without replacement has been extensively studied and several algorithms with sub-linear time complexity exist. Although reservoir sampling with replacement is previously mentioned by some authors, it has been studied very little and only linear algorithms exist. A with-replacement reservoir sampling algorithm of sub-linear time complexity is introduced. A thorough complexity analysis of several approaches to the with-replacement reservoir sampling problem is also provided. (C) 2007 Elsevier B.V. All rights reserved. C1 [Park, Byung-Hoon; Ostrouchov, George; Samatova, Nagiza F.] Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. RP Park, BH (reprint author), Oak Ridge Natl Lab, Div Math & Comp Sci, POB 2008, Oak Ridge, TN 37831 USA. EM parkbh@ornl.gov NR 18 TC 4 Z9 4 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-9473 J9 COMPUT STAT DATA AN JI Comput. Stat. Data Anal. PD OCT 15 PY 2007 VL 52 IS 2 BP 750 EP 762 DI 10.1016/j.csda.2007.03.010 PG 13 WC Computer Science, Interdisciplinary Applications; Statistics & Probability SC Computer Science; Mathematics GA 265ND UT WOS:000253365300012 ER PT J AU Wu, QS Rao, NSV Du, XJ Iyengar, SS Vaishnavi, VK AF Wu, Qishi Rao, Nageswara S. V. Du, Xiaojiang Iyengar, S. Sitharama Vaishnavi, Vijay K. TI On efficient deployment of sensors on planar grid SO COMPUTER COMMUNICATIONS LA English DT Article DE sensor deployment; optimal surveillance; genetic algorithm; distributed sensor systems ID LOCATION AB One practical goal of sensor deployment in the design of distributed sensor systems is to achieve an optimal monitoring and surveillance of a target region. The optimality of a sensor deployment scheme is a tradeoff between implementation cost and coverage quality levels. In this paper, we consider a probabilistic sensing model that provides different sensing capabilities in terms of coverage range and detection quality with different costs. A sensor deployment problem for a planar grid region is formulated as a combinatorial optimization problem with the objective of maximizing the overall detection probability within a given deployment cost. This problem is shown to be NP-complete and an approximate solution is proposed based on a two-dimensional genetic algorithm. The solution is obtained by the specific choices of genetic encoding, fitness function, and genetic operators such as crossover, mutation, translocation for this problem. Simulation results of various problem sizes are presented to show the benefits of this method as well as its comparative performance with a greedy sensor placement method. (C) 2007 Elsevier B.V. All rights reserved. C1 Univ Memphis, Dept Comp Sci, Memphis, TN 38152 USA. Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. N Dakota State Univ, Dept Comp Sci, Fargo, ND 58105 USA. Louisiana State Univ, Dept Comp Sci, Baton Rouge, LA 70803 USA. Georgia State Univ, Dept Comp Informat Syst, Atlanta, GA 30302 USA. RP Wu, QS (reprint author), Univ Memphis, Dept Comp Sci, Memphis, TN 38152 USA. EM qishiwu@memphis.edu; raons@ornl.gov; dxj@ieee.org; iyengar@bit.csc.lsu.edu; vvaishna@gsu.edu OI Rao, Nageswara/0000-0002-3408-5941 NR 23 TC 38 Z9 40 U1 1 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0140-3664 J9 COMPUT COMMUN JI Comput. Commun. PD OCT 15 PY 2007 VL 30 IS 14-15 BP 2721 EP 2734 DI 10.1016/j.comcom.2007.05.012 PG 14 WC Computer Science, Information Systems; Engineering, Electrical & Electronic; Telecommunications SC Computer Science; Engineering; Telecommunications GA 228RJ UT WOS:000250747000004 ER PT J AU Thieme, J McNulty, I Vogt, S Paterson, D AF Thieme, Juergen McNulty, Ian Vogt, Stefan Paterson, David TI X-ray spectromicroscopy - A tool for environmental sciences SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID MICROSCOPY; RESOLUTION; SOIL; FLUORESCENCE; PHOSPHORUS; IRON C1 Univ Gottingen, D-3400 Gottingen, Germany. Argonne Natl Lab, Argonne, IL 60439 USA. RP Thieme, J (reprint author), Univ Gottingen, D-3400 Gottingen, Germany. EM jthieme@gwdg.de RI Vogt, Stefan/B-9547-2009; Vogt, Stefan/J-7937-2013 OI Vogt, Stefan/0000-0002-8034-5513; Vogt, Stefan/0000-0002-8034-5513 NR 16 TC 37 Z9 40 U1 0 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 OCT 15 PY 2007 VL 41 IS 20 BP 6885 EP 6889 DI 10.1021/es0726254 PG 5 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 219TJ UT WOS:000250110800007 PM 17993124 ER PT J AU Watson, TB Wilke, R Dietz, RN Heiser, J Kalb, P AF Watson, Thomas B. Wilke, Richard Dietz, Russell N. Heiser, John Kalb, Paul TI The atmospheric background of perfluorocarhon compounds used as tracers SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID IONIZATION MASS-SPECTROMETRY; GLOBAL WARMING POTENTIALS; PROJECT MOHAVE TRACER; LEAK LOCATION; DISPERSION; TRANSPORT; SYSTEMS; DESIGN; ANATEX; RANGE AB There are seven cyclic perfluoroalkane compounds, which can be detected in extremely low concentrations, that are used to track mass movement and transfer in a variety of research and practical applications. They are used in leak detection in underground storage and pipelines and in atmospheric transport and diffusion research on local, regional, and continental scales. They are likely to be a used globally for monitoring carbon sequestration in geological formations. The atmospheric background levels of these compounds must be accurately known, and trends in their concentrations determined for these compounds to be effective in monitoring CO2 reservoirs and because there are environmental concerns about their release. Results of measurements of perfluorocarbon background concentrations from two recent field programs are presented, and trends in these values examined using data collected over the last 25 years. The current atmospheric concentrations of these compounds are in the low parts per quadrillion levels, and their annual atmospheric growth rate is less than 1 part per quadrillion per year. The environmental effects of these compounds are examined and found to be negligible at current release rates. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. RP Watson, TB (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM twatson@bnl.gov NR 41 TC 17 Z9 17 U1 0 U2 12 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 OCT 15 PY 2007 VL 41 IS 20 BP 6909 EP 6913 DI 10.1021/es070940k PG 5 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 219TJ UT WOS:000250110800010 PM 17993127 ER PT J AU Shcherbina, NS Perminova, IV Kalmykov, SN Kovalenko, AN Haire, RG Novikov, AP AF Shcherbina, Natalia S. Perminova, Irina V. Kalmykov, Stepan N. Kovalenko, Anton N. Haire, Richard G. Novikov, Alexander P. TI Redox and complexation interactions of neptunium(V) with quinonoid-enriched humic derivatives SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID ACID; SUBSTANCES; MIGRATION; BEHAVIOR; SOIL; SPECTROSCOPY; ACTINIDES; REDUCTION; TRANSPORT; OXIDATION AB Actinides in their higher valence states (e.g., MO2+ and MO22+, where M can be Np, Pu, etc) possess a higher potential for migration and in turn pose a substantial environmental threat. To minimize this potential for migration, reducing them to lower oxidation states (e.g., their tetravalent state) can be an attractive and efficient remedial process. These lower oxidation states are often much less soluble in natural aqueous media and are, therefore less mobile in the environment. The research presented here focuses on assessing the performance of quinonoid-enriched humic derivatives with regards to complexing and/or reducing Np(V) present in solution. These "designer" humics are essentially derived reducing agents that can serve as reactive components of a novel humic-based remediation technology. The derivatives are obtained by incorporating different quinonoid-moieties into leonardite humic acids. Five quinonoid-derivatives are tested in this work and all five prove more effective as reducing agents for selected actinides than the parent leonardite humic acid, and the hydroquinone derivatives are better than the catechol derivatives. The reduction kinetics and the Np(V) species formed with the different derivatives are studied via a batch mode using near-infrared (NIR)-spectroscopy. Np(V) reduction by the humic derivatives under anoxic conditions at 293 K and at pH 4.7 obeys first-order kinetics. Rate constants range from 1.70 x 10(-6) (parent humic acid) to 1.06 x 10(-5) sec(-1) (derivative with maximum hydroquinone content). Stability constants for Np(V)-humic complexes calculated from spectroscopic data produce corresponding Log beta values of 2.3 for parent humic acid and values ranging from 2.5 to 3.2 at pH 4.7 and from 3.3 to 3.7 at pH 7.4 for humic derivatives. Maximum constants are observed for hydroquinone-enriched derivatives. It is concluded that among the humic derivatives tested, the hydroquinone-enriched ones are the most useful for addressing remedial needs of actinide-contaminated aquifers. C1 Moscow MV Lomonosov State Univ, Dept Chem, Moscow 119992, Russia. Vernadsky Inst Geochem & Analyt Chem, RAS, Moscow 119991, Russia. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Shcherbina, NS (reprint author), Moscow MV Lomonosov State Univ, Dept Chem, Moscow 119992, Russia. EM sher@radio.chem.msu.ru RI Perminova, Irina/E-2121-2013; Novikov, Alexander/J-7741-2013 OI Perminova, Irina/0000-0001-9084-7851; NR 40 TC 18 Z9 19 U1 3 U2 19 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 OCT 15 PY 2007 VL 41 IS 20 BP 7010 EP 7015 DI 10.1021/es070415l PG 6 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 219TJ UT WOS:000250110800025 PM 17993141 ER PT J AU Boily, JF Seward, TM Charnock, JM AF Boily, Jean-Francois Seward, Terry M. Charnock, John M. TI The hydrolysis and precipitation of Pd(II) in 0.6 mol kg(-1) NaCl: A potentiometric, spectrophotometric, and EXAFS study SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID CHLORIDE SOLUTIONS; AQUEOUS-SOLUTIONS; OPTICAL SPECTROSCOPIES; HYDROTHERMAL SOLUTIONS; PALLADIUM(II); SOLUBILITY; PD; PLATINUM; SPECIATION; COMPLEXES AB The soluble and insoluble hydrolysis products of palladium were investigated in aqueous solutions of 0.6 mol kg(-1) NaCl at 298.2 K. Potentiometric titrations of millimolal palladium(II) solutions were used to monitor hydrolysis reactions of the mononuclear PdCl3OH2- and PdCl2OH22- species. Spectrophotometric titrations were also used to corroborate the speciation change and to extract the correlative molar absorption coefficients for the PdCl3OH2- species in the 210-320 nm range. Longer-term potentiometric titrations systematically yielded precipitates which matured over a period of 6 weeks and resulted in a more extensive release of protons to the solution. Precipitation experiments in the 3-11 pH range showed the dominant precipitating phase to be Pd(OH)(1.72)Cl-0.28. EXAFS measurements yielded an average of 3.50 O and 0.50 Cl atoms per Pd atom with a Pd-O distance of 2.012 angstrom and a Pd-Cl distance of 2.185 angstrom. Speciation modeling of proton and palladium mass balance data of experiments for palladium concentrations ranging from 0.047 to 10.0 mmol kg(-1) required the presence of polynuclear complexes containing 3-9 palladium atoms. The existence of such complexes is moreover supported by previous investigations of palladium hydroxide chains of the type [Pd(OH)(1.72)Cl-0.28](n), that are coiled and/or aggregated into nanometer-sized (15-40 angstrom) spheroids. Published by Elsevier Ltd. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. ETH, Inst Mineral & Petrol, CH-8092 Zurich, Switzerland. CCLRC, Daresbury Lab, Warrington WA4 2AD, Cheshire, England. RP Boily, JF (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM boily@pnl.gov RI Seward, Terry/F-1103-2011 NR 48 TC 10 Z9 11 U1 2 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 OCT 15 PY 2007 VL 71 IS 20 BP 4834 EP 4845 DI 10.1016/j.gca.2007.08.015 PG 12 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 231LK UT WOS:000250948100002 ER PT J AU Gaffney, AM Borg, LE Connelly, JN AF Gaffney, Amy M. Borg, Lars E. Connelly, James N. TI Uranium-lead isotope systematics of Mars inferred from the basaltic shergottite QUE 94201 SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID COMBINED U-PB; RB-SR; SM-ND; EARLY DIFFERENTIATION; MARTIAN METEORITES; SNC METEORITES; CORE FORMATION; TH-PB; MANTLE; CONSTRAINTS AB Uranium-lead ratios (commonly represented as U-238/Pb-204 = mu) calculated for the sources of martian basalts preserve a record of petrogenetic processes that were active during early planetary differentiation and formation of martian geochemical reservoirs. To better define the range of mu values represented by the source regions of martian basalts, we completed U-Pb elemental and isotopic analyses on whole rock, mineral and leachate fractions from the martian meteorite Queen Alexandra Range 94201 (QUE 94201). The whole rock and silicate mineral fractions have unradiogenic Pb isotopic compositions that define a narrow range (Pb-206/Pb-204 = 11.16-11.61). In contrast, the Pb isotopic compositions of weak HCl leachates are more variable and radiogenic. The intersection of the QUE 94201 data array with terrestrial Pb in Pb-206/Pb-204-Pb-207/Pb-204-Pb-208/Pb-204 compositional space is consistent with varying amounts of terrestrial contamination in these fractions. We calculate that only 1-7% contamination is present in the purified silicate mineral and whole rock fractions, whereas the HCl leachates contain up to 86% terrestrial Pb. This terrestrial Pb contamination generated a Pb-206-Pb-207 array in the QUE fractions that appears to represent an ancient age, which contrasts with a much younger crystallization age of 327 +/- 10 Ma derived from Rb-Sr and Sm-Nd isochrons (Borg L. E., Nyquist L. E., Taylor L. A., Wiesmann H. and Shih C. -Y. (1997) Constraints on Martian differentiation processes from Rb-Sr and Sm-Nd isotopic analyses of the basaltic shergottite QUE 94201. Geochim. Cosmochim. Acta 61, 4915-4931). Despite the contamination, and accepting 327 +/- 10 Ma as the crystallization age, we use the U-Pb data to determine the initial Pb-206/Pb-204 of QUE 94201 to be 11.086 +/- 0.008 and to calculate the mu value of its mantle source to be 1.82 +/- 0.01. The mu value calculated for the QUE 94201 source is the lowest determined for any martian basalt source, and, when compared to the highest values determined for martian basalt sources, indicates that mu values in martian source reservoirs vary by at least a factor of two. Additionally, the range of source mu values indicates that the mu value of bulk silicate Mars is approximately three. The amount of variation in the mu values of the mantle sources (mu similar to 2-4) is greater than can be explained by igneous processes involving silicate phases alone. We suggest the possibility that a small amount of sulfide crystallization may generate greater extents of U-Pb fractionation during formation of the mantle sources of martian basalts. (C) 2007 Elsevier Ltd. All rights reserved. C1 Univ New Mexico, Inst Meteorit, Albuquerque, NM 87131 USA. Univ Texas Austin, Jackson Sch Geosci, Austin, TX 78712 USA. RP Gaffney, AM (reprint author), Lawrence Livermore Natl Lab, Chem Mat & Life Sci Directorate, 7000 E Ave,L-231, Livermore, CA 94550 USA. EM gaffney1@llnl.gov RI Gaffney, Amy/F-8423-2014; Connelly, James /O-7996-2015 OI Gaffney, Amy/0000-0001-5714-0029; NR 68 TC 23 Z9 23 U1 0 U2 5 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 OCT 15 PY 2007 VL 71 IS 20 BP 5016 EP 5031 DI 10.1016/j.gca.2007.08.009 PG 16 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 231LK UT WOS:000250948100013 ER PT J AU Brown, S Cao, J Musfeldt, JL Conner, MM McConnell, AC Southerland, HI Manson, JL Schlueter, JA Phillips, MD Turnbull, MM Landee, CP AF Brown, S. Cao, J. Musfeldt, J. L. Conner, M. M. McConnell, A. C. Southerland, H. I. Manson, J. L. Schlueter, J. A. Phillips, M. D. Turnbull, M. M. Landee, C. P. TI Hydrogen bonding and multiphonon structure in copper pyrazine coordination polymers SO INORGANIC CHEMISTRY LA English DT Article ID MAGNETIC-PROPERTIES; CRYSTAL-STRUCTURE; HEISENBERG-ANTIFERROMAGNET; VIBRATIONAL PROPERTIES; COMPLEXES; ANIONS; EXCHANGE; SPECTRA; SPECTROSCOPY; LIGANDS AB We report a systematic investigation of the temperature-dependent infrared vibrational spectra of a family of chemically related coordination polymer magnets based upon bridging bifluoride (HF2-) and terminal fluoride (F-) ligands in copper pyrazine complexes including Cu(HF2)(pyz)(2)BF4, Cu(HF2)(pyz)(2)ClO4, and CuF2(H2O)(2)(pyz). We compare our results with several one- and two-dimensional prototype materials including Cu(pyz)(NO3)(2) and Cu(pyz)(2)(ClO4)(2). Unusual low-temperature hydrogen bonding, local structural transitions associated with stronger low-temperature hydrogen bonding, and striking multiphonon effects that derive from coupling of an infrared-active fundamental with strong Raman-active modes of the pyrazine building-block molecule are observed. On the basis of the spectroscopic evidence, these interactions are ubiquitous to this family of coordination polymers and may work to stabilize long-range magnetic ordering at low temperature. Similar interactions are likely to be present in other molecule-based magnets. C1 Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. Eastern Washington Univ, Dept Chem & Biochem, Cheney, WA 99004 USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Clark Univ, Carlson Sch Chem, Dept Phys, Worcester, MA 01477 USA. RP Musfeldt, JL (reprint author), Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. EM musfeldt@utk.edu RI Cao, Jinbo/C-7537-2009; OI Turnbull, Mark/0000-0002-0232-8224 NR 44 TC 15 Z9 15 U1 0 U2 10 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 OCT 15 PY 2007 VL 46 IS 21 BP 8577 EP 8583 DI 10.1021/ic070122t PG 7 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 218IQ UT WOS:000250009600032 PM 17845028 ER PT J AU Drummond, ML Sumpter, BG AF Drummond, Michael L. Sumpter, Bobby G. TI Use of drug discovery tools in rational organometallic catalyst design SO INORGANIC CHEMISTRY LA English DT Article ID MOLECULAR-FIELD ANALYSIS; N-HETEROCYCLIC CARBENES; MAIN-GROUP ELEMENTS; ETHYLENE POLYMERIZATION; METATHESIS CATALYSTS; OLEFIN METATHESIS; TRANSITION-METALS; MULTIPLE BONDS; COMPLEXES; LIGANDS AB A computational procedure is detailed where techniques common in the drug discovery process-2D- and 3D-quantitative structure-activity relationships (QSAR)-are applied to rationalize the catalytic activity of a synthetically flexible, Ti-N = P ethylene polymerization catalyst system. Once models relating molecular properties to catalyst activity are built with the two OSAR approaches, two database mining approaches are used to select a small number of ligands from a larger database that are likely to produce catalysts with high activity when grafted onto the Ti-N = P framework. The software employed throughout this work is freely available, is easy to use, and was applied in a "black box" approach to highlight areas where the drug discovery tools, designed to address organic molecules, have difficulty in addressing issues arising from the presence of a metal atom. In general, 3D-QSAR offers an efficient way to screen new potential ligands and separate those likely to lead to poor catalysts from those that are likely to contribute to highly active catalysts. The results for 2D-QSAR appear to be quantitatively unreliable, likely due to the presence of a metal atom; nonetheless, there is evidence that qualitative predictions from different models may be reliable. Pitfalls in the database mining techniques are identified, none of which are insurmountable. The lessons learned about the potential uses and drawbacks of the techniques described herein are readily applicable to other catalyst frameworks, thereby enabling a rational approach to catalyst improvement and design. C1 Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Div Math & Comp Sci, Ctr Nanophase Mat Sci, Oak Ridge, TN USA. RP Drummond, ML (reprint author), Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. EM drummondml@gmail.com RI Sumpter, Bobby/C-9459-2013 OI Sumpter, Bobby/0000-0001-6341-0355 NR 48 TC 10 Z9 10 U1 0 U2 19 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 EI 1520-510X J9 INORG CHEM JI Inorg. Chem. PD OCT 15 PY 2007 VL 46 IS 21 BP 8613 EP 8624 DI 10.1021/ic700670s PG 12 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 218IQ UT WOS:000250009600036 PM 17854171 ER PT J AU Tobash, PH DiFilippo, G Bobev, S AF Tobash, Paul H. DiFilippo, Gary Bobev, Svilen TI Structure and properties of Gd3Ge4: The orthorhombic RE3Ge4 structures revisited (RE = Y, Tb-Tm) SO INORGANIC CHEMISTRY LA English DT Article ID PLANAR TETRACOORDINATE CARBON; RARE-EARTH GERMANIDES; MAGNETIC MEASUREMENTS; NEUTRON-DIFFRACTION; ELECTRONIC-STRUCTURE; CRYSTAL-STRUCTURE; THERMODYNAMIC PROPERTIES; INTERGROWTH STRUCTURE; PHYSICAL-PROPERTIES; NANOSCALE ZIPPERS AB The new binary compound Gd3Ge4 has been synthesized and its structure has been determined from single-crystal X-ray diffraction. Gd3Ge4 crystallizes in the orthorhombic space group Cmcm (No. 63) with unit cell parameters a = 4.0953(11) angstrom, b = 10.735(3) angstrom, c = 14.335(4) angstrom, and Z = 4. Its structure can be described as corrugated layers of germanium atoms with gadolinium atoms enclosed between them. The bonding arrangement in Gd3Ge4 can also be derived from that of the known compound GdGe (CrB type) through cleavage of the (1)(infinity)[Ge-2] zigzag chains in GdGe and a subsequent insertion of an extra germanium atom between the resulting triangular fragments. Formally, these characteristics represent isotypism with the Er3Ge4 type (Pearson's oC28). However, re-examination of the crystallography in the whole RE3Ge4 series (RE = Y, Tb-Tm) revealed discrepancies and called into question the accuracy of the originally determined structures. This necessitated a new rationalization of the bonding, which is provided in the context of a comparative discussion concerning both the original and revised structure models, along with an analysis of the trends across the series. The temperature dependence of the magnetic susceptibility of Gd3Ge4 shows that it is paramagnetic at room temperature and undergoes antiferromagnetic ordering below 29 K. Magnetization, resistivity, and calorimetry data for several other members of the RE3Ge4 family are presented as well. C1 Univ Delaware, Dept Chem & Biochem, Newark, DE 19716 USA. Los Alamos Natl Lab, MPA, Appl Phys & Appl Div, Los Alamos, NM 87545 USA. RP Bobev, S (reprint author), Univ Delaware, Dept Chem & Biochem, Newark, DE 19716 USA. EM bobev@udel.edu NR 74 TC 16 Z9 16 U1 2 U2 14 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 EI 1520-510X J9 INORG CHEM JI Inorg. Chem. PD OCT 15 PY 2007 VL 46 IS 21 BP 8690 EP 8697 DI 10.1021/ic7009034 PG 8 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 218IQ UT WOS:000250009600044 PM 17877339 ER PT J AU Chen, BL Ma, SQ Hurtado, EJ Lobkovsky, EB Liang, CD Zhu, HG Dai, S AF Chen, Banglin Ma, Shengqian Hurtado, Eric J. Lobkovsky, Emil B. Liang, Chengdu Zhu, Haoguo Dai, Sheng TI Selective gas sorption within a dynamic metal-organic framework SO INORGANIC CHEMISTRY LA English DT Article ID SECONDARY-BUILDING UNITS; MICROPOROUS COORDINATION POLYMERS; HIGH H-2 ADSORPTION; HYDROGEN STORAGE; POROUS MATERIAL; SEPARATION; DESIGN; CRYSTAL; NETWORK; SITES AB A microporous metal-organic framework 1 Co(NDC)(4,4'-Bipy)(0.5).G(x), (NDC = 2,6-naphthaleriedicarboxylate; 4,4'-Bipy = 4,4'-bipyridine; G = guest molecules) was synthesized and structurally characterized of a doubly interpenetrated primitive cubic net. To make use of the framework flexibility, 1 was activated at temperatures of 150 and 200 degrees C to form 1a and 1b, respectively, exhibiting highly selective sorption behaviors of hydrogen over nitrogen-gas molecules. C1 Univ Texas Pan Amer, Dept Chem, Edinburg, TX 78541 USA. Miami Univ, Dept Chem & Biochem, Oxford, OH 45056 USA. Cornell Univ, Baker Lab, Dept Chem & Chem Biol, Ithaca, NY 14853 USA. Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Chen, BL (reprint author), Univ Texas Pan Amer, Dept Chem, Edinburg, TX 78541 USA. EM banglin@utpa.edu RI Chen, Banglin/F-5461-2010; Ma, Shengqian/B-4022-2012; Liang, Chengdu/G-5685-2013; Dai, Sheng/K-8411-2015 OI Chen, Banglin/0000-0001-8707-8115; Ma, Shengqian/0000-0002-1897-7069; Dai, Sheng/0000-0002-8046-3931 NR 48 TC 89 Z9 90 U1 4 U2 23 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 OCT 15 PY 2007 VL 46 IS 21 BP 8705 EP 8709 DI 10.1021/ic7013573 PG 5 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 218IQ UT WOS:000250009600046 PM 17880212 ER PT J AU Li, B Corbett, JD AF Li, Bin Corbett, John D. TI Syntheses and structures of new phases AeM(x)In(4-x) (Ae = Sr, Ba; M = Mg, Zn): Size effects and site preferences in BaAl4-Type structures SO INORGANIC CHEMISTRY LA English DT Article ID CRYSTAL-STRUCTURE; INTERMETALLIC COMPOUNDS; ELECTRONIC-STRUCTURE; SOLID-STATE; SUBSTITUTION; NETWORK; STABILITY; CHEMISTRY; ELEMENTS; METALS AB The title phases were synthesized via high-temperature solid-state methods and structurally characterized by single-crystal X-ray diffraction. The phase widths of both SrMg(x)ln(4-x) (0.85 <= x <= 1.53) and BaMg(x)ln(4-x) (0 <= x <= 1.79) are consistent with size matches between Ae and the encapsulating Win cages. All compounds crystallize in body-centered tetragonal BaAl4-type structure (I4/mmm, Z = 2) except that SrMg(x)ln(4-x), 0.85 <= x <= 1.24, occurs in the lower-symmetry space group (l (4) over bar m2, Z = 2) and the atoms are all ordered at the composition SrMgIn3. The substitution of the effectively smaller Mg or Zn atoms into the indium sublattice of the monoclinic SrIn4 (C2/m) dramatically changes the structure into the tetragonal BaAl4-type structure. Compared with the Mg compounds in which all Mg occupy the basal 4d crystallographic site, Zn occupies the other 4e (apical) site in both BaZn0.79(2)In3.21 and SrZn1.00(4)In3.00. These differences are related to the interplay of size and. electronic factors. The latter may be expressed by not only electronegativities but also total energies according to linear muffin-tin-orbital calculations. C1 US DOE, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Corbett, JD (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA. EM jcorbett@iastate.edu NR 54 TC 16 Z9 16 U1 1 U2 6 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 OCT 15 PY 2007 VL 46 IS 21 BP 8812 EP 8818 DI 10.1021/ic701127f PG 7 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 218IQ UT WOS:000250009600059 PM 17887750 ER PT J AU Jin, H Lu, WY Scheffel, S Hinnerichs, TD Neilsen, MK AF Jin, Helena Lu, Wei-Yang Scheffel, Simon Hinnerichs, Terry D. Neilsen, Michael K. TI Full-field characterization of mechanical behavior of polyurethane foams SO INTERNATIONAL JOURNAL OF SOLIDS AND STRUCTURES LA English DT Article DE polyurethane foam; compression; 3-dimensional digital image correlation (3D-DIC); strain concentration; Viscoplastic foam model (VFM) ID DIGITAL IMAGE CORRELATION; OPEN-CELL FOAMS; COMPRESSIVE RESPONSE; DEFORMATION AB The foam material of interest in this investigation is a rigid closed-cell polyurethane foam PMDI with a nominal density of 20 pcf (320 kg/m(3)). Three separate types of compression experiments were conducted on foam specimens. The heterogeneous deformation of foam specimens and strain concentration at the foam-steel interface were obtained using the 3-dimensional digital image correlation (3D-DIC) technique. These experiments demonstrated that the 3D-DIC technique is able to obtain accurate and full-field large deformation of foam specimens, including strain concentrations. The experiments also showed the effects of loading configurations on deformation and strain concentration in foam specimens. These DIC results provided experimental data to validate the previously developed viscoplastic foam model (VFM). In the first experiment, cubic foam specimens were compressed uniaxially up to 60%. The full-field surface displacement and strain distributions obtained using the 3D-DIC technique provided detailed information about the inhomogeneous deformation over the area of interest during compression. In the second experiment, compression tests were conducted for cubic foam specimens with a steel cylinder inclusion, which imitate the deformation of foam components in a package under crush conditions. The strain concentration at the interface between the steel cylinder and the foam specimen was studied in detail. In the third experiment, the foam specimens were loaded by a steel cylinder passing through the center of the specimens rather than from its end surface, which created a loading condition of the foam components similar to a package that has been dropped. To study the effects of confinement, the strain concentration and displacement distribution over the defined sections were compared for cases with and without a confinement fixture. Published by Elsevier Ltd. C1 Sandia Natl Labs, Livermore, CA 94550 USA. Sandia Natl Labs, Albuquerque, NM 87123 USA. RP Jin, H (reprint author), Sandia Natl Labs, MS 9409, Livermore, CA 94550 USA. EM hjin@sandia.gov NR 17 TC 36 Z9 38 U1 1 U2 16 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0020-7683 J9 INT J SOLIDS STRUCT JI Int. J. Solids Struct. PD OCT 15 PY 2007 VL 44 IS 21 BP 6930 EP 6944 DI 10.1016/j.ijsolstr.2007.03.018 PG 15 WC Mechanics SC Mechanics GA 228LO UT WOS:000250731600012 ER PT J AU Aydiner, CC Brown, DW Misra, A Mara, NA Wang, YC Wall, JJ Almer, J AF Aydiner, C. C. Brown, D. W. Misra, A. Mara, N. A. Wang, Y.-C. Wall, J. J. Almer, J. TI Residual strain and texture in free-standing nanoscale Cu-Nb multilayers SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID THIN-FILMS; METALLIC MULTILAYERS; COMPOSITES; INTERFACES; STRESSES; MECHANISMS; BEHAVIOR; SLIP AB We investigate the residual strains in a free-standing Cu/Nb multilayer of 30 nm nominal layer thickness with synchrotron x-rays. This material system is characterized by columnar grains of Cu and Nb with incoherent interfaces and a sharp physical-vapor-deposition texture. High energy x-rays were used with an area detector along with multiple sample rotations to yield diffraction strain components in a very large number of directions. Due to the texture and the elastic anisotropy of constituents, observed diffraction strains cannot be derived from a single strain tensor (also known as linear sin(2) psi). Orientation-dependent diffraction strain modeling is utilized with a Vook-Witt micromechanical model. Obtained phase-resolved in-plane stress magnitudes are -515 MPa in Nb and +513 MPa in Cu, satisfying force equilibrium within experimental errors. The stresses of this magnitude will certainly influence the mechanical behavior of the multilayer upon further loading. The Vook-Witt model describes the Nb diffraction strains very well, and thereby provides information on the stress distribution in crystallites as a function of their orientation. On the other hand, the same level of agreement with the Vook-Witt model has not been achieved for Cu diffraction strains. (C) 2007 American Institute of Physics. C1 Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87544 USA. Natl Cheng Kung Univ, Dept Civil Engn, Tainan 70101, Taiwan. Los Alamos Natl Lab, Los Alamos Neutron Sci Ctr, Los Alamos, NM 87544 USA. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Aydiner, CC (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87544 USA. EM aydiner@lanl.gov RI Misra, Amit/H-1087-2012; Mara, Nathan/J-4509-2014; OI Mara, Nathan/0000-0002-9135-4693; Aydiner, Cahit/0000-0001-8256-6742 NR 23 TC 14 Z9 14 U1 1 U2 18 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD OCT 15 PY 2007 VL 102 IS 8 AR 083514 DI 10.1063/1.2794862 PG 10 WC Physics, Applied SC Physics GA 226KZ UT WOS:000250589300031 ER PT J AU Azarov, AY Kucheyev, SO Titov, AI Karaseov, PA AF Azarov, A. Yu. Kucheyev, S. O. Titov, A. I. Karaseov, P. A. TI Effect of the density of collision cascades on ion implantation damage in ZnO SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID TEMPERATURE AB We study structural disorder in ZnO bombarded at room temperature with 1.3 keV/amu atomic P and cluster PFn (n=2 and 4) ions. Rutherford backscattering/channeling spectrometry results show that the density of collision cascades has a negligible effect on the damage buildup in the crystal bulk in the dose range resulting in similar to 1.5-15 displacements per atom. Hence, the amount of stable post-implantation disorder in the bulk can be predicted based on ballistic calculations. In contrast, the cascade density affects radiation damage in the near-surface region. An intermediate defect peak between the expected surface and bulk peaks of disorder forms for ion irradiation conditions with dense cascades. (C) 2007 American Institute of Physics. C1 St Petersburg State Polytech Univ, Dept Phys Elect, St Petersburg 195251, Russia. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Kucheyev, SO (reprint author), St Petersburg State Polytech Univ, Dept Phys Elect, St Petersburg 195251, Russia. EM kucheyev@llnl.gov RI Karaseov, Platon/P-6861-2015; Titov, Andrey/A-4608-2017 OI Karaseov, Platon/0000-0003-2511-0188; Titov, Andrey/0000-0003-4933-9534 NR 14 TC 18 Z9 18 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD OCT 15 PY 2007 VL 102 IS 8 AR 083547 DI 10.1063/1.2801404 PG 5 WC Physics, Applied SC Physics GA 226KZ UT WOS:000250589300064 ER PT J AU Chroneos, A Uberuaga, BP Grimes, RW AF Chroneos, A. Uberuaga, B. P. Grimes, R. W. TI Carbon, dopant, and vacancy interactions in germanium SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID ATOMIC-SCALE SIMULATIONS; ARSENIC DOPED SILICON; DIFFUSION PATHS; 1ST-PRINCIPLES; DEFECTS; BORON; IMPLANTATION; PHOSPHORUS AB Electronic structure calculations have been used to study the interaction of carbon with isolated substitutional dopants (boron, phosphorus, or arsenic), vacancies, and dopant-vacancy pairs in germanium. For comparison, equivalent defects were examined in silicon. The calculations employed a plane-wave basis set and pseudopotentials within the generalized gradient approximation of density functional theory. The results predict a range of different association preferences, with carbon being strongly bound in some cases and unbound in others. For example, in germanium, the carbon-vacancy cluster is weakly bound whereas in silicon it is more strongly bound. Conversely, dopant-carbon pairs are not stable in either germanium or silicon compared to their isolated components. If, however, they are formed during implantation, they will act as strong vacancy traps. Details of clusters comprised of a dopant, carbon, and vacancy are also discussed with respect to their formation by the association of a vacancy or cluster pair. (C) 2007 American Institute of Physics. C1 Univ London Imperial Coll Sci Technol & Med, Dept Mat, London SW7 2BP, England. NCSR Demokritos, Inst Microelect, Aghia Paraskevi 15310, Greece. Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Grimes, RW (reprint author), Univ London Imperial Coll Sci Technol & Med, Dept Mat, London SW7 2BP, England. EM r.grimes@ic.ac.uk OI Chroneos, Alex/0000-0002-2558-495X NR 34 TC 58 Z9 58 U1 0 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 OCT 15 PY 2007 VL 102 IS 8 AR 083707 DI 10.1063/1.2798875 PG 6 WC Physics, Applied SC Physics GA 226KZ UT WOS:000250589300073 ER PT J AU Erhart, P Albe, K AF Erhart, Paul Albe, Karsten TI Thermodynamics of mono- and di-vacancies in barium titanate SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; AB-INITIO; 1ST-PRINCIPLES CALCULATION; CHEMICAL DIFFUSIVITY; ELECTRONIC-STRUCTURE; MOLECULAR-DYNAMICS; PEROVSKITE OXIDES; DEFECT CHEMISTRY; POINT-DEFECTS AB The thermodynamic and kinetic properties of mono- and di-vacancy defects in cubic (para-electric) barium titanate BaTiO3 are studied by means of density-functional theory calculations. It is determined which vacancy types prevail for given thermodynamic boundary conditions. The calculations confirm the established picture that vacancies occur in their nominal charge states almost over the entire band gap. For the dominating range of the band gap the di-vacancy binding energies are constant and negative. The system, therefore, strives to achieve a state in which, under metal-rich (oxygen-rich) conditions, all metal (oxygen) vacancies are bound in di-vacancy clusters. The migration barriers are calculated for mono-vacancies in different charge states. As oxygen vacancies are found to readily migrate at typical growth temperatures, di-vacancies can be formed at ease. The key results of the present study with respect to the thermodynamic behavior of mono- and di-vacancies influence the initial defect distribution in the ferroelectric phases and therefore the conditions for aging. C1 Tech Univ Darmstadt, Inst Mat Wissensch, D-64287 Darmstadt, Germany. RP Erhart, P (reprint author), Lawrence Livermore Natl Lab, Chem Mat & Lifesci Directorate, L-367, Livermore, CA 94550 USA. EM paul.erhart@web.de RI Albe, Karsten/F-1139-2011; Erhart, Paul/G-6260-2011 OI Erhart, Paul/0000-0002-2516-6061 NR 70 TC 62 Z9 62 U1 3 U2 40 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 OCT 15 PY 2007 VL 102 IS 8 AR 084111 DI 10.1063/1.2801011 PG 8 WC Physics, Applied SC Physics GA 226KZ UT WOS:000250589300109 ER PT J AU Feldmann, DM Holesinger, TG Feenstra, R Cantoni, C Zhang, W Rupich, M Li, X Durrell, JH Gurevich, A Larbalestier, DC AF Feldmann, D. M. Holesinger, T. G. Feenstra, R. Cantoni, C. Zhang, W. Rupich, M. Li, X. Durrell, J. H. Gurevich, A. Larbalestier, D. C. TI Mechanisms for enhanced supercurrent across meandered grain boundaries in high-temperature superconductors SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID CRITICAL-CURRENT-DENSITY; METALORGANIC DEPOSITION; YBA2CU3O7-DELTA FILMS; TRANSPORT-PROPERTIES; COATED CONDUCTORS; YBCO FILMS; PRECURSORS; NETWORKS AB It has been well established that the critical current density J(c) across grain boundaries (GBs) in high-temperature superconductors decreases exponentially with misorientation angle theta beyond similar to 2 degrees-3 degrees. This rapid decrease is due to a suppression of the superconducting order parameter at the grain boundary, giving rise to weakly pinned Abrikosov-Josephson (AJ) vortices. Here we show that if the GB plane meanders, this exponential dependence no longer holds, permitting greatly enhanced Jc values: up to six times at 0 T and four times at 1 T at theta similar to 4 degrees-6 degrees. This enhancement is due to an increase in the current-carrying cross section of the GBs and the appearance of short AJ vortex segments in the GB plane, confined by the interaction with strongly pinned Abrikosov (A) vortices in the grains. (C) 2007 American Institute of Physics. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Wisconsin, Madison, WI 53706 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Univ Cambridge, Cambridge CB2 3QZ, England. RP Feldmann, DM (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI Gurevich, Alex/A-4327-2008; Larbalestier, David/B-2277-2008; Durrell, John/A-4052-2008; Cantoni, Claudia/G-3031-2013 OI Gurevich, Alex/0000-0003-0759-8941; Larbalestier, David/0000-0001-7098-7208; Durrell, John/0000-0003-0712-3102; Cantoni, Claudia/0000-0002-9731-2021 NR 21 TC 27 Z9 27 U1 3 U2 14 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 OCT 15 PY 2007 VL 102 IS 8 AR 083912 DI 10.1063/1.2800255 PG 5 WC Physics, Applied SC Physics GA 226KZ UT WOS:000250589300093 ER PT J AU Ma, L Wang, YG Xue, JM Chen, QZ Zhang, WM Zhang, YW AF Ma, Lei Wang, Yugang Xue, Jianming Chen, Qizhong Zhang, Weiming Zhang, Yanwen TI Energy loss and straggling of MeV ions through biological samples SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID PENETRATION; PROTONS; FOILS; BEAM; PIXE AB Energy loss and energy straggling of energetic ions through natural dehydrated biological samples were investigated using transmission technique. Biological samples (onion membrane, egg coat, and tomato coat) with different mass thickness were studied, together with Mylar for comparison. The energy loss and energy straggling of MeV H and He ions after penetrating the biological and Mylar samples were measured. The experimental results show that the average energy losses of MeV ions through the biological samples are consistent with SRIM predictions; however, large deviation in energy straggling is observed between the measured results and the SRIM predictions. Taking into account inhomogeneity in mass density and structure of the biological sample, an energy straggling formula is suggested, and the experimental energy straggling values are well predicted by the proposed formula. (C) 2007 American Institute of Physics. C1 Peking Univ, State Key Lab Nucl Phys & Technol, Beijing 100871, Peoples R China. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Ma, L (reprint author), Peking Univ, State Key Lab Nucl Phys & Technol, Beijing 100871, Peoples R China. EM ygwang@pku.edu.cn NR 21 TC 5 Z9 5 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 OCT 15 PY 2007 VL 102 IS 8 AR 084702 DI 10.1063/1.2800996 PG 6 WC Physics, Applied SC Physics GA 226KZ UT WOS:000250589300136 ER PT J AU Uprety, KK Ocola, LE Auciello, O AF Uprety, K. K. Ocola, L. E. Auciello, O. TI Growth and characterization of transparent Pb(Zi,Ti)O-3 capacitor on glass substrate SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID THIN-FILM CAPACITORS; ELECTRICAL-PROPERTIES; BOTTOM ELECTRODES; DEPOSITION AB (Pb)(Zr0.52Ti0.48)O-3 (PZT) films were fabricated on LaNiO3 (LNO)/In2O3 90%SnO(2)10% (ITO) layered transparent electrodes on glass substrates using chemical solution deposition. The structural, electrical, and optical properties of semitransparent Pd/PZT/LNO/ITO and transparent ITO/LNO/PZT/LNO/ITO capacitors fabricated on glass substrates were studied. X-ray diffraction revealed an improved crystalline structure of PZT on ITO-buffered glass substrates by interposing a LNO layer between PZT and ITO. Atomic force microscopy showed a smoother surface topography for the LNO/ITO layered electrode on glass, as compared to that of the single ITO layer on glass. The remnant polarization (P-r) of the Pd/PZT/LNO/ITO/glass capacitors and transparent ITO/LNO/PZT/LNO/ITO/glass capacitors was estimated from P-E hysteresis loops. The Pd/PZT/LNO/ITO capacitors on glass revealed significant improvement in the P-r as compared to PZT film based capacitors with ITO electrodes only. Excellent optical transmittance was observed for the whole capacitor structure. The importance of a high performance transparent capacitor is that this structure may enable high efficiency transparent electronic devices such as solar energy storage, photovoltaic, and intelligent windows, among others. C1 Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Uprety, KK (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, 9700 S Cass Ave, Argonne, IL 60439 USA. EM uprety@anl.gov NR 17 TC 22 Z9 25 U1 2 U2 16 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD OCT 15 PY 2007 VL 102 IS 8 AR 084107 DI 10.1063/1.2785027 PG 4 WC Physics, Applied SC Physics GA 226KZ UT WOS:000250589300105 ER PT J AU Yang, J Meisner, GP Rawn, CJ Wang, H Chakoumakos, BC Martin, J Nolas, GS Pedersen, BL Stalick, JK AF Yang, J. Meisner, G. P. Rawn, C. J. Wang, H. Chakoumakos, B. C. Martin, J. Nolas, G. S. Pedersen, B. L. Stalick, J. K. TI Low temperature transport and structural properties of misch-metal-filled skutterudites SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID THERMOPOWER; VALENCE; IRON AB Skutterudites, such as CoSb3, are a promising class of thermoelectric materials, particularly when the voids in the crystal structure are filled with guest atoms. We report a comprehensive study of the effects of filling skutterudites with misch-metal (Mm), a rare-earth alloy having the naturally occurring La, Ce, Pr, and Nd composition. Our power diffraction experiments show that Mm filling causes a larger expansion and an unusual distortion of the CoSb3 lattice compared with single-element-filled skutterudites. We probed the response of crystal lattice, electronic structure, and carrier and phonon scattering mechanisms to Mm filling using neutron powder diffraction, Hall effect, electrical resistivity, thermopower, and thermal conductivity measurements between 2 and 300 K on a series of Mm(y)Fe(4-x)Co(x)Sb(12) samples. The thermoelectric properties of these Mm-filled skutterudites in this low temperature range are comparable to those of pure Ce-filled skutterudites despite the anomalous lattice expansion and distortion. We expect that these materials will have high thermoelectric figures of merit at elevated temperatures. (C) 2007 American Institute of Physics. C1 GM R&D Ctr, Mat & Proc Lab, Warren, MI 48090 USA. Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. Univ S Florida, Dept Phys, Tampa, FL 33620 USA. Aarhus Univ, Dept Chem, DK-8000 Aarhus, Denmark. Natl Inst Stand & Technol, Ctr Neutron Res, Gaithersburg, MD 20899 USA. RP Yang, J (reprint author), GM R&D Ctr, Mat & Proc Lab, Warren, MI 48090 USA. EM jihui.yang@gm.com RI Yang, Jihui/A-3109-2009; Chakoumakos, Bryan/A-5601-2016; Wang, Hsin/A-1942-2013 OI Chakoumakos, Bryan/0000-0002-7870-6543; Wang, Hsin/0000-0003-2426-9867 NR 26 TC 21 Z9 22 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 OCT 15 PY 2007 VL 102 IS 8 AR 083702 DI 10.1063/1.2794716 PG 7 WC Physics, Applied SC Physics GA 226KZ UT WOS:000250589300068 ER PT J AU Joslin, EJ Opresko, LK Wells, A Wiley, HS Lauffenburger, DA AF Joslin, Elizabeth J. Opresko, Lee K. Wells, Alan Wiley, H. Steven Lauffenburger, Douglas A. TI EGF-receptor-mediated mammary epithelial cell migration is driven by sustained ERK signaling from autocrine stimulation SO JOURNAL OF CELL SCIENCE LA English DT Article DE cell motility; cell proliferation; metalloproteases; transactivation; growth factors ID EPIDERMAL-GROWTH-FACTOR; MEMBRANE-ANCHORING DOMAIN; FACTOR-ALPHA PRECURSOR; QUANTITATIVE-ANALYSIS; TGF-ALPHA; HER2 OVEREXPRESSION; LIGAND-BINDING; SPATIAL RANGE; CANCER-CELLS; TRANSACTIVATION AB EGF family ligands are synthesized as membrane-anchored precursors whose proteolytic release yields mature diffusible factors that can activate cell surface receptors in autocrine or paracrine mode. Expression of these ligands is altered in pathological states and in physiological processes, such as development and tissue regeneration. Despite the widely documented biological importance of autocrine EGF signaling, quantitative relationships between protease- mediated ligand release and consequent cell behavior have not been rigorously investigated. We thus explored the relationship between autocrine EGF release rates and cell behavioral responses along with activation of ERK, a key downstream signal, by expressing chimeric ligand precursors and modulating their proteolytic shedding using a metalloprotease inhibitor in human mammary epithelial cells. We found that ERK activation increased monotonically with increasing ligand release rate despite concomitant downregulation of EGF receptor levels. Cell migration speed was directly related to ligand release rate and proportional to steady- state phospho- ERK levels. Moreover, migration speed was significantly greater for autocrine stimulation compared with exogenous stimulation, even at comparable phospho-ERK levels. By contrast, cell proliferation rates were approximately equivalent at all ligand release rates and were similar regardless of whether the ligand was presented endogenously or exogenously. Thus, in our mammary epithelial cell system, migration and proliferation are differentially sensitive to the mode of EGF ligand presentation. C1 MIT, Dept Biol Engn, Cambridge, MA 02139 USA. Pacific NW Natl Lab, Syst Biol Program, Richland, WA 99352 USA. Univ Pittsburgh, Med Ctr, Dept Pathol, Pittsburgh, PA 15261 USA. MIT, Ctr Canc Res, Cambridge, MA 02139 USA. RP Lauffenburger, DA (reprint author), MIT, Dept Biol Engn, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM lauffen@mit.edu OI Wiley, Steven/0000-0003-0232-6867; Wells, Alan/0000-0002-1637-8150 FU NCI NIH HHS [R01-CA096504, U54-CA112967]; NIGMS NIH HHS [R01-GM069668] NR 73 TC 63 Z9 65 U1 1 U2 6 PU COMPANY OF BIOLOGISTS LTD PI CAMBRIDGE PA BIDDER BUILDING CAMBRIDGE COMMERCIAL PARK COWLEY RD, CAMBRIDGE CB4 4DL, CAMBS, ENGLAND SN 0021-9533 J9 J CELL SCI JI J. Cell Sci. PD OCT 15 PY 2007 VL 120 IS 20 BP 3688 EP 3699 DI 10.1242/jcs.010488 PG 12 WC Cell Biology SC Cell Biology GA 218VM UT WOS:000250043300019 PM 17895366 ER PT J AU Dahlborg, U Besser, M Calvo-Dahlborg, M Cuello, G Dewhurst, CD Kramer, MJ Morris, JR Sordelet, DJ AF Dahlborg, U. Besser, M. Calvo-Dahlborg, M. Cuello, G. Dewhurst, C. D. Kramer, M. J. Morris, J. R. Sordelet, D. J. TI Structure of molten Al-Si alloys SO JOURNAL OF NON-CRYSTALLINE SOLIDS LA English DT Article; Proceedings Paper CT 12th International Conference on Liquid and Amorphous Metals (LAM12) CY JUL 11-16, 2004 CL Metz, FRANCE DE liquid alloys and liquid metals; neutron diffraction/scattering; microstructure; structure; medium-range order; short-range order ID SMALL-ANGLE SCATTERING; MOLECULAR-DYNAMICS SIMULATION; INTERACTING PARTICLES; TRANSFORMATION AB The temperature variation of the structure and microstructure of molten eutectic Al1-xSix alloys (x = 0.122 and 0.20) have been studied by neutron diffraction and small-angle neutron scattering (SANS), as well as measurements performed on pure liquid Al. All measurements have been performed at five temperatures in a heating-cooling loop. The SANS results unambiguously show that for the eutectic alloy (x = 0, 122) the microstructure changes with increasing temperature in a partly reversible way while for the hypereutectic (x = 0.20) alloy the change is almost completely irreversible. This change in microstructure also manifests itself in the shape of the static structure factor S(Q). (c) 2007 Elsevier B.V. All rights reserved. C1 Ecole Mines, CNRS, UMR7584, LSG2M, F-54042 Nancy, France. Iowa State Univ, Ames Lab, Ames, IA 50014 USA. Inst Max Von Laue Paul Langevin, F-38042 Grenoble, France. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Dahlborg, U (reprint author), Univ Rouen, CNRS, UMR 6634, GPM, F-76801 St Etienne, France. EM monique.calvo-dahlborg@univ-rouen.fr RI Cuello, Gabriel/C-5831-2009; Calvo-Dahlborg, Monique/K-4721-2012; Morris, J/I-4452-2012 OI Cuello, Gabriel/0000-0003-3844-0602; Morris, J/0000-0002-8464-9047 NR 14 TC 30 Z9 33 U1 0 U2 8 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3093 J9 J NON-CRYST SOLIDS JI J. Non-Cryst. Solids PD OCT 15 PY 2007 VL 353 IS 32-40 BP 3005 EP 3010 DI 10.1016/j.jnoncrysol.2007.05.031 PG 6 WC Materials Science, Ceramics; Materials Science, Multidisciplinary SC Materials Science GA 221NS UT WOS:000250235200009 ER PT J AU Sivkov, G Yagodin, D Kofanov, S Gornov, O Volodin, S Bykov, V Popel, P Sidorov, V Bao, C Calvo-Dahlborg, M Dahlborg, U Sordelet, D AF Sivkov, G. Yagodin, D. Kofanov, S. Gornov, O. Volodin, S. Bykov, V. Popel, P. Sidorov, V. Bao, C. Calvo-Dahlborg, M. Dahlborg, U. Sordelet, D. TI Physical properties of the liquid Pd-18 at.% Si alloy SO JOURNAL OF NON-CRYSTALLINE SOLIDS LA English DT Article; Proceedings Paper CT 12th International Conference on Liquid and Amorphous Metals (LAM12) CY JUL 11-16, 2004 CL Metz, FRANCE DE liquid alloys and liquid metals; transport properties-liquids; viscosity ID METALLIC GLASSES AB The temperature dependence of the density, the viscosity, the ultrasound velocity and attenuation and the magnetic susceptibility of the Pd-18 at.% Si alloy in liquid state have been measured. A difference during heating and subsequent cooling with a branching temperature at 1380-1430 K was observed for all measured quantities. An abnormally high attenuation of ultrasound was furthermore observed during several hours after that the sample was melted. The results are interpreted in terms of metastable inhomogeneities existing in the melt. (c) 2007 Elsevier B.V. All rights reserved. C1 Ural State Pedagog Univ, R-620017 Ekaterinburg, Russia. Ecole Mines, CNRS, LSG2M, UMR 7584, F-54042 Nancy, France. Iowa State Univ, Ames Lab, Ames, IA 50014 USA. RP Popel, P (reprint author), Univ Rouen, GPM UMR6634, St Etienne, France. EM pspopel@mail.ru RI Calvo-Dahlborg, Monique/K-4721-2012; Bykov, Viktor/G-5785-2011; Yagodin, Denis/A-4425-2014 OI Bykov, Viktor/0000-0003-4851-8223; NR 6 TC 9 Z9 9 U1 3 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3093 J9 J NON-CRYST SOLIDS JI J. Non-Cryst. Solids PD OCT 15 PY 2007 VL 353 IS 32-40 BP 3274 EP 3278 DI 10.1016/j.jnoncrysol.2007.06.019 PG 5 WC Materials Science, Ceramics; Materials Science, Multidisciplinary SC Materials Science GA 221NS UT WOS:000250235200060 ER PT J AU Dahlborg, U Besser, M Calvo-Dahlborg, M Janssen, S Juranyi, F Kramer, MJ Morris, JR Sordelet, DJ AF Dahlborg, U. Besser, M. Calvo-Dahlborg, M. Janssen, S. Juranyi, F. Kramer, M. J. Morris, J. R. Sordelet, D. J. TI Diffusion of Cu in AlCu alloys of different composition by quasielastic neutron scattering SO JOURNAL OF NON-CRYSTALLINE SOLIDS LA English DT Article; Proceedings Paper CT 12th International Conference on Liquid and Amorphous Metals (LAM12) CY JUL 11-16, 2004 CL Metz, FRANCE DE liquid alloys and liquid metals; neutron diffraction/scattering; transport properties-liquids ID LIQUID ALUMINUM; SELF-DIFFUSION; COEFFICIENTS; TRANSPORT; DYNAMICS; METALS AB Quasielastic cold neutron scattering experiments on molten Al1-xCux alloys (x = 0.10, 0.17 and 0.25) have been performed at three different temperatures on the FOCUS time-of-flight spectrometer at the Swiss neutron spallation source SINQ. As the main part of the scattering at small Q is incoherent and originating from Cu, self-diffusion coefficients D for the Cu ions could be determined from the widths of quasielastic peaks. The derived values are considerably larger than those found in capillary tube measurements. Even if the accuracy in the determination of D is better than about 4% it could not be concluded whether the temperature variation of D follows an Arrhenius law or a power law. (c) 2007 Elsevier B.V. All rights reserved. C1 Univ Rouen, St Etienne, France. Ecole Mines, LSG2M, UMR7584, F-54042 Nancy, France. Iowa State Univ, Ames Lab, Ames, IA 50014 USA. Swiss Fed Inst Technol, Paul Scherrer Inst, Lab Neutron Scattering, CH-5232 Villigen, Switzerland. Univ Saarland, D-6600 Saarbrucken, Germany. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Dahlborg, U (reprint author), Univ Rouen, St Etienne, France. EM monique.calvo-dahlborg@univ-rouen.fr RI Calvo-Dahlborg, Monique/K-4721-2012; Morris, J/I-4452-2012 OI Morris, J/0000-0002-8464-9047 NR 15 TC 17 Z9 19 U1 0 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3093 EI 1873-4812 J9 J NON-CRYST SOLIDS JI J. Non-Cryst. Solids PD OCT 15 PY 2007 VL 353 IS 32-40 BP 3295 EP 3299 DI 10.1016/j.jnoncrysol.2007.05.074 PG 5 WC Materials Science, Ceramics; Materials Science, Multidisciplinary SC Materials Science GA 221NS UT WOS:000250235200064 ER PT J AU Hong, XG AF Hong, Xinguo TI Structural variation of expanded fluid mercury during M-NM transition: A reverse Monte Carlo study SO JOURNAL OF NON-CRYSTALLINE SOLIDS LA English DT Article; Proceedings Paper CT 12th International Conference on Liquid and Amorphous Metals (LAM12) CY JUL 11-16, 2004 CL Metz, FRANCE DE liquid alloys and liquid metals; liquid crystals and molecular liquids; modeling and simulation; structure; fluctuations; short-range order; X-rays; X-rays diffraction ID RAY-DIFFRACTION MEASUREMENTS; METAL-NONMETAL TRANSITION; LIQUID MERCURY; SYNCHROTRON-RADIATION; THERMODYNAMIC PROPERTIES; REGION; TRANSPORT; INSULATOR; RANGE; VAPOR AB The structure of fluid Hg during the metal-non-metal transition has been modelled by Reverse Monte Carlo simulation in terms of the structural factors S(Q) measured by X-ray diffraction at SPring-8. The full region of S(Q) including S(0) was employed in the simulation so as to take the effect of fluctuation phenomenon into account. The modelling reveals that as the M-NM transition is approached, the distribution of coordination numbers, P(N), of the first-neighbor shell broadens obviously and shifts to lower values, supporting the speculation of Franz's model. Furthermore, the coordination number Ps(N), denoted for atoms with a shorter bond, changes markedly in width and average value, while much smaller is found for that of longer bond as the density decreases. The variation of P-s(N) of the atoms with the shorter bond are directly related to the M-NM transition of fluid Hg. (c) 2007 Published by Elsevier B.V. C1 Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China. RP Hong, XG (reprint author), Univ Chicago, Argonne Natl Lab, Consortium Avd Radiat Source, GSECARS, Bldg 434A,9700 S Cass Ave, Argonne, IL 60439 USA. EM hong@cars.uchicago.edu NR 30 TC 2 Z9 2 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3093 EI 1873-4812 J9 J NON-CRYST SOLIDS JI J. Non-Cryst. Solids PD OCT 15 PY 2007 VL 353 IS 32-40 BP 3399 EP 3404 DI 10.1016/j.jnoncrysol.2007.05.091 PG 6 WC Materials Science, Ceramics; Materials Science, Multidisciplinary SC Materials Science GA 221NS UT WOS:000250235200084 ER PT J AU Sordelet, D Yang, XY Rozhkova, E Besser, M Kramer, M AF Sordelet, Daniel Yang, Xiaoyun Rozhkova, Elena Besser, Matthew Kramer, Matthew TI Metastable phase formation in rapidly quenched Zr80Pt20 alloys: Linkage to oxygen SO JOURNAL OF NON-CRYSTALLINE SOLIDS LA English DT Article; Proceedings Paper CT 12th International Conference on Liquid and Amorphous Metals (LAM12) CY JUL 11-16, 2004 CL Metz, FRANCE DE amorphous metals; metallic glasses; crystallization; quasicrystals; diffraction and scattering measurements; phases and equilibria; processing; structure ID MELT-SPUN RIBBONS; METALLIC GLASSES; CRYSTALLIZATION; NANOCRYSTALLIZATION; SELECTION AB Melt spun Zr80Pt20 ribbons having oxygen contents ranging from < 200 to approximate to 5000 mass ppm are shown to form various metastable phases during quenching. In the presence of sufficient oxygen, a big cube Zr6Pt3O phase forms, but this structure is de-stabilized towards an icosahedral quasicrystalline structure at lower oxygen levels. Further reduction of oxygen promotes increasingly stable Zr-Pt bonds, and a metastable beta-Zr(Pt) structure is formed. (c) 2007 Elsevier B.V. All rights reserved. C1 Iowa State Univ, Ames Lab, Mat & Engn Phys Program, Ames, IA 50011 USA. RP Sordelet, D (reprint author), Iowa State Univ, Ames Lab, Mat & Engn Phys Program, Ames, IA 50011 USA. EM sordelet@ameslab.gov NR 16 TC 0 Z9 0 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3093 J9 J NON-CRYST SOLIDS JI J. Non-Cryst. Solids PD OCT 15 PY 2007 VL 353 IS 32-40 BP 3439 EP 3443 DI 10.1016/j.jnoncrysol.2007.05.096 PG 5 WC Materials Science, Ceramics; Materials Science, Multidisciplinary SC Materials Science GA 221NS UT WOS:000250235200092 ER PT J AU Morris, JR Dahlborg, U Calvo-Dahlborg, M AF Morris, James R. Dahlborg, U. Calvo-Dahlborg, M. TI Recent developments and outstanding challenges in theory and modeling of liquid metals SO JOURNAL OF NON-CRYSTALLINE SOLIDS LA English DT Article; Proceedings Paper CT 12th International Conference on Liquid and Amorphous Metals (LAM12) CY JUL 11-16, 2004 CL Metz, FRANCE DE liquid alloys and liquid metals; nucleation; diffraction and scattering measurements; modeling and simulation; phases and equilibria; structure; surfaces and interfaces ID DENSITY-FUNCTIONAL THEORY; INTERFACIAL FREE-ENERGY; LENNARD-JONES SYSTEM; CRYSTAL-MELT INTERFACES; MOLECULAR-DYNAMICS SIMULATION; SOLID-FLUID COEXISTENCE; GIBBS-DUHEM INTEGRATION; HARD-SPHERE CRYSTALS; EMBEDDED-ATOM-METHOD; PHASE-FIELD AB We review recent progress in accurately modeling properties related to liquid metals and alloys. In particular, we examine the ability to provide true material specific models, and to use those models to examine real quantities of interest. This includes properties such as equilibrium melting lines for pure systems, alloy phase diagrams, and crystal-melt interfacial properties. We also discuss the role of such calculations in relation to understanding crystal nucleation and solidification. As an example of the type of phenomena that we would like to be able to understand (and ultimately predict), we discuss recent experiments on the 'simple' eutectic system Al-Si, which has a complex solidification behavior, due to the facetted interfaces that occur in this system. Recent neutron scattering experiments suggest that there can be inhomogeneities in the melt, on the order of 10 nm in size, depending on the thermal history of the melt. Understanding this type of behavior requires more accurate descriptions of alloy systems than have been previously available, as well as new techniques and approaches similar to those developed in recent years for simpler systems. (c) 2007 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, MS&T Div, Oak Ridge, TN 37831 USA. Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. Ecole Mines, CNRS, LSG2M, Nancy, France. Univ Rouen, GPM UMR6634, F-76801 St Etienne, France. RP Morris, JR (reprint author), Oak Ridge Natl Lab, MS&T Div, POB 2008, Oak Ridge, TN 37831 USA. EM morrisj@ornl.gov RI Calvo-Dahlborg, Monique/K-4721-2012; Morris, J/I-4452-2012 OI Morris, J/0000-0002-8464-9047 NR 116 TC 10 Z9 10 U1 2 U2 22 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3093 EI 1873-4812 J9 J NON-CRYST SOLIDS JI J. Non-Cryst. Solids PD OCT 15 PY 2007 VL 353 IS 32-40 BP 3444 EP 3453 DI 10.1016/j.jnoncrysol.2007.05.159 PG 10 WC Materials Science, Ceramics; Materials Science, Multidisciplinary SC Materials Science GA 221NS UT WOS:000250235200093 ER PT J AU Morris, JR Mendelev, MI Srojovitz, DJ AF Morris, James R. Mendelev, M. I. Srojovitz, D. J. TI A comparison of crystal-melt interfacial free energies using different Al potentials SO JOURNAL OF NON-CRYSTALLINE SOLIDS LA English DT Article; Proceedings Paper CT 12th International Conference on Liquid and Amorphous Metals (LAM12) CY JUL 11-16, 2004 CL Metz, FRANCE DE liquid alloys and liquid metals; crystal growth; nucleation; neutron diffraction/scattering; electrical and electronic properties; modeling and; simulation; molecular dynamics; fluctuations; surfaces and interfaces ID DENSITY-FUNCTIONAL THEORY; SOLID-LIQUID INTERFACES; FLUID INTERFACE; SURFACE; ANISOTROPY; NUCLEATION; ALUMINUM; SYSTEMS; ALLOY; POINT AB We have calculated the crystal-melt interfacial stiffnesses using simulations with three different interatomic potentials for Al, and from these derived the anisotropic crystal-melt interfacial free energies. We find that there is a strong dependence of the results on the potential, and that this dependence cannot be explained by the usual Turnbull relation between the interfacial free energy and the latent heat. The potentials which produce liquid structures in closer agreement with experiments give free energies in good agreement with nucleation data. (c) 2007 Elsevier B.V. All rights reserved. C1 MS & T Div, Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Univ Tennessee, Knoxville, TN 37996 USA. Ames Lab, Ames, IA 50011 USA. Yeshiva Univ, Dept Phys, New York, NY 10033 USA. RP Morris, JR (reprint author), MS & T Div, Oak Ridge Natl Lab, PO Box 2008, Oak Ridge, TN 37831 USA. EM morrisj@ornl.gov RI Morris, J/I-4452-2012 OI Morris, J/0000-0002-8464-9047 NR 37 TC 18 Z9 18 U1 1 U2 16 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3093 J9 J NON-CRYST SOLIDS JI J. Non-Cryst. Solids PD OCT 15 PY 2007 VL 353 IS 32-40 BP 3565 EP 3569 DI 10.1016/j.jnoncrysol.2007.05.116 PG 5 WC Materials Science, Ceramics; Materials Science, Multidisciplinary SC Materials Science GA 221NS UT WOS:000250235200119 ER PT J AU Kramer, MJ Mecco, H Dennis, KW Vargonova, E McCallum, RW Napolitano, RE AF Kramer, M. J. Mecco, H. Dennis, K. W. Vargonova, E. McCallum, R. W. Napolitano, Ralph E. TI Rapid solidification and metallic glass formation - Experimental and theoretical limits SO JOURNAL OF NON-CRYSTALLINE SOLIDS LA English DT Article; Proceedings Paper CT 12th International Conference on Liquid and Amorphous Metals (LAM12) CY JUL 11-16, 2004 CL Metz, FRANCE DE amorphous metals; metallic glasses; glass formation; processing ID COOLING RATE MEASUREMENTS; ALLOY RIBBONS; MELT; BEHAVIOR AB Most of the metallic glasses which have been identified to date require rapid solidification processing (RSP) in order to obtain the high cooling rates required to avoid the thermally activated decomposition reactions that result in the formation of crystalline phases. While the free-jet melt spinning technique is commonly used for the investigation of amorphous alloy formation, many of the key process parameters remain poorly understood. In the work presented here, we utilize high speed digital imaging to investigate various melt-pool characteristics and their influence on the melt-spun ribbon. With detailed measurements of melt-pool geometry and surface temperature, we show that the length of this molten zone establishes a critical length scale which characterizes the ribbon thickness and cooling rate. Within certain limits, the ribbon thickness is shown to correlate with a simple 2D laminar flow boundary layer formed at the base of the melt-pool. Estimates of initial quench rate, based on surface temperature measurements, clearly reveal the importance of two distinct cooling periods. The first is the wheel-contact period, where the ribbon remains in intimate contact with the quench wheel and cooling is primarily governed by the heat conduction across the ribbon-wheel boundary. The second is the free-flight period, where the ribbon separates from the wheel, and cooling is governed by radiation and convection into the chamber. Published by Elsevier B.V. C1 Iowa State Univ, Dept Mat Sci & Engn, Ames Lab, Ames, IA 50011 USA. RP Kramer, MJ (reprint author), Iowa State Univ, Dept Mat Sci & Engn, Ames Lab, Ames, IA 50011 USA. EM mjkramer@ameslab.gov NR 32 TC 25 Z9 26 U1 2 U2 20 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3093 J9 J NON-CRYST SOLIDS JI J. Non-Cryst. Solids PD OCT 15 PY 2007 VL 353 IS 32-40 BP 3633 EP 3639 DI 10.1016/j.jnoncrysol.2007.05.172 PG 7 WC Materials Science, Ceramics; Materials Science, Multidisciplinary SC Materials Science GA 221NS UT WOS:000250235200130 ER PT J AU Egami, T AF Egami, T. TI Icosahedral order in liquids SO JOURNAL OF NON-CRYSTALLINE SOLIDS LA English DT Article; Proceedings Paper CT 12th International Conference on Liquid and Amorphous Metals (LAM12) CY JUL 11-16, 2004 CL Metz, FRANCE DE amorphous metals; metallic glasses; liquid alloys and liquid metals; glass formation; liquid crystals and molecular liquids; structure ID ORIENTATIONAL ORDER; COMPUTER-SIMULATION; GLASSES; DEFECTS AB The possibility of icosahedral order in liquids and its role in glass transition is discussed in a broad context of statistical mechanics of liquid. It is pointed out that the structures of glasses and liquids are described both in terms of the topology of atomic bond networks as well as the local distortion of the atomic bonds. While topology plays a dominant role in covalent glasses, local distortion is likely to be more important for metallic glasses. (c) 2007 Elsevier B.V. All rights reserved. C1 Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Egami, T (reprint author), Univ Tennessee, So Coll, Knoxville, TN 37996 USA. EM egami@utk.edu NR 22 TC 13 Z9 14 U1 2 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3093 J9 J NON-CRYST SOLIDS JI J. Non-Cryst. Solids PD OCT 15 PY 2007 VL 353 IS 32-40 BP 3666 EP 3670 DI 10.1016/j.jnoncrysol.2007.05.148 PG 5 WC Materials Science, Ceramics; Materials Science, Multidisciplinary SC Materials Science GA 221NS UT WOS:000250235200136 ER PT J AU Huntz, AM Hou, PY Molins, R AF Huntz, A. M. Hou, P. Y. Molins, R. TI Study by deflection of the oxygen pressure influence on the phase transformation in alumina thin films formed by oxidation of Fe3Al SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE alumina films; alpha alumina; transition aluminas; deflection tests; Fe3Al ID HIGH-TEMPERATURE OXIDATION; MECHANICAL CHARACTERISTICS; IRON ALUMINIDES; GROWTH STRAINS; BEHAVIOR; ALLOYS; SCALES; NICKEL; SPECTROSCOPY; RELAXATION AB The influence of oxygen pressure on the stability of transition aluminas formed by the oxidation of an Fe3Al intermetallic alloy was studied by means of deflection tests, a technique based on the curvature of an asymmetrical sample consisting of a thin and elongated metallic substrate covered on one face by a protective oxide film. Three different atmospheres were chosen: air, argon and Ar-H-2-H2O mixture in order to obtain three different oxygen pressures and different water vapour contents. The deflection results were analysed on the basis of knowledge obtained from kinetics and TEM and SEM microstructural observations. (c) 2007 Elsevier B.V. All rights reserved. C1 Univ Paris 11, LEMHE, ICMMO, Ctr Orsay,CNRS,UMR 8182, F-91405 Orsay, France. Lawrence Berkeley Natl Lab, Berkeley, CA 94530 USA. Mines Paris, Ctr Mat, CNRS, UMR 7633, F-91003 Evry, France. RP Huntz, AM (reprint author), Univ Paris 11, LEMHE, ICMMO, Ctr Orsay,CNRS,UMR 8182, F-91405 Orsay, France. EM AM.Huntz@lemhe.u-psud.fr NR 51 TC 16 Z9 17 U1 0 U2 2 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 OCT 15 PY 2007 VL 467 IS 1-2 BP 59 EP 70 DI 10.1016/j.msea.2007.02.089 PG 12 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 205WX UT WOS:000249146400008 ER PT J AU Morrison, ML Buchanan, RA Liaw, PK Green, BA Wang, GY Liu, C Horton, JA AF Morrison, M. L. Buchanan, R. A. Liaw, P. K. Green, B. A. Wang, G. Y. Liu, C. Horton, J. A. TI Four-point-bending-fatigue behavior of the Zr-based Vitreloy 105 bulk metallic glass SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE bulk metallic glass; zirconium; high cycle fatigue; scanning electron microscopy (SEM); fractography ID FATIGUE-CRACK PROPAGATION; MECHANICAL-PROPERTIES; GROWTH-BEHAVIOR; ALLOY; MICROSTRUCTURE; FRACTURE; GEOMETRY; PHASE AB The purpose of this study was to make a direct comparison between four-point-bending and uniaxial fatigue tests with the Zr52.5Cu17.9Ni14.6Al10.0Ti5.0 (at.%) BMG alloy (Vitreloy 105). The fatigue lifetimes in four-point bending were found to be greater than those reported in uniaxial testing. However, the fatigue-endurance limit found in four-point bending was slightly less than that reported for uniaxial fatigue. Thus, the significant differences between fatigue studies in the literature are not likely due to this difference in testing geometry. On the contrary, the fatigue lifetimes were found to be highly dependent upon surface defects and material quality. The four-point-bending-fatigue performance of the Vit 105 alloy was found to be greater than most BMGs and similar to the 300 M high-strength steel and other crystalline alloys in spite of not being 'perfectly amorphous! Due to the detrimental effects of these inhomogeneities and wear at the supporting pins, this fatigue behavior can be assumed to be a conservative estimate of the potential fatigue performance of a perfectly amorphous and homogeneous BMG. (c) 2007 Elsevier B.V. All rights reserved. C1 Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. RP Morrison, ML (reprint author), Univ Tennessee, Dept Mat Sci & Engn, 434 Dougherty Engn Bldg, Knoxville, TN 37996 USA. EM mark.morrison@smith-nephew.com RI Wang, Gongyao/C-4003-2011; OI Morrison, Mark/0000-0003-1956-0932 NR 26 TC 29 Z9 30 U1 2 U2 36 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 OCT 15 PY 2007 VL 467 IS 1-2 BP 190 EP 197 DI 10.1016/j.msea.2007.05.066 PG 8 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 205WX UT WOS:000249146400026 ER PT J AU Morrison, ML Buchanan, RA Liaw, PK Green, BA Wang, GY Liu, CT Horton, JA AF Morrison, M. L. Buchanan, R. A. Liaw, P. K. Green, B. A. Wang, G. Y. Liu, C. T. Horton, J. A. TI Corrosion-fatigue studies of the Zr-based Vitreloy 105 bulk metallic glass SO MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING LA English DT Article DE bulk metallic glass; zirconium; high cycle fatigue; corrosion-fatigue; scanning electron microscopy (SEM); fractography ID CRACK PROPAGATION BEHAVIOR; AMORPHOUS METAL; ALLOY; MECHANISMS; POLARIZATION; FRACTURE; AIR AB The purpose of this study was to characterize the stress-life behavior of the Vitreloy 105 BMG alloy in the four-point bending configuration in a 0.6 M NaCl electrolyte. At high stress amplitudes, the corrosion-fatigue life was similar to the fatigue lives observed in air. The environment became increasingly detrimental with decreases in stress, and the corrosion-fatigue endurance limit decreased to about 50 MPa, an 88% decrease relative to testing in air. Similar to the tests conducted in air, oxide particles were found on the fracture surfaces but did not appear to significantly affect the corrosion-fatigue lives. However, wear and the resultant corrosion at the outer loading pins resulted in crack initiation in most of the samples. Thus, these results are considered conservative estimates of the corrosion-fatigue behavior of this BMG alloy. Monitoring of the samples and the open-circuit potentials revealed that the onset of significant crack growth occurred at an average of 92% of the total fatigue life. The mechanism of corrosion-fatigue degradation was found to be anodic dissolution. (c) 2007 Elsevier B.V. All rights reserved. C1 Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Met & Ceram, Oak Ridge, TN 37831 USA. RP Morrison, ML (reprint author), Univ Tennessee, Dept Mat Sci & Engn, 434 Dougherty Engn Bldg, Knoxville, TN 37996 USA. EM mark.morrison@smith-nephew.com RI Wang, Gongyao/C-4003-2011; OI Morrison, Mark/0000-0003-1956-0932 NR 32 TC 25 Z9 25 U1 3 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 OCT 15 PY 2007 VL 467 IS 1-2 BP 198 EP 206 DI 10.1016/j.msea.2007.03.106 PG 9 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Science & Technology - Other Topics; Materials Science; Metallurgy & Metallurgical Engineering GA 205WX UT WOS:000249146400027 ER PT J AU Mirrione, MM Schiffer, WK Fowler, JS Alexoff, DL Dewey, SL Tsirka, SE AF Mirrione, Martine M. Schiffer, Wynne K. Fowler, Joanna S. Alexoff, Dave L. Dewey, Stephen L. Tsirka, Stella E. TI A novel approach for imaging brain-behavior relationships in mice reveals unexpected metabolic patterns during seizures in the absence of tissue plasminogen activator SO NEUROIMAGE LA English DT Article ID TEMPORAL-LOBE EPILEPSY; LONG-TERM POTENTIATION; PILOCARPINE-INDUCED SEIZURES; INDUCED STATUS EPILEPTICUS; EMISSION-TOMOGRAPHY; RAT-BRAIN; GLUCOSE-UTILIZATION; BLOOD-FLOW; HIPPOCAMPAL; PET AB Medically refractory seizures cause inflammation and neurodegeneration. Seizure initiation thresholds have been linked in mice to the serine protease tissue plasminogen activator (tPA); mice lacking tPA exhibit resistance to seizure induction, and the ensuing inflammation and neurodegeneration are similarly suppressed. Seizure foci in humans can be examined using PET employing 2-deoxy-2[F-18]fluoro-D-glucose ((18)FDG) as a tracer to visualize metabolic dysfunction. However, there currently exist no such methods in mice to correlate measures of brain activation with behavior. Using a novel method for small animal PET data analysis, we examine patterns of (18)FDG uptake in wild-type and tPA(-/-) mice and find that they correlate with the severity of drug-induced seizure initiation. Furthermore, we report unexpected activations that may underlie the tPA modulation of seizure susceptibility. The methods described here should be applicable to other mouse models of human neurological disease. (c) 2007 Elsevier Inc. All rights reserved. C1 SUNY Stony Brook, Grad Program Mol & Cellular Pharmacol, Stony Brook, NY 11794 USA. Brookhaven Natl Lab, Dept Med, Upton, NY 11973 USA. NYU, Sch Med, Dept Psychiat, New York, NY 10016 USA. RP Tsirka, SE (reprint author), SUNY Stony Brook, Grad Program Mol & Cellular Pharmacol, Stony Brook, NY 11794 USA. EM stella@pharm.stonybrook.edu FU NIDA NIH HHS [R01 DA015041, R01 DA015082, DA15041, DA15082]; NIGMS NIH HHS [T32 GM007518]; NINDS NIH HHS [R01 NS042168, R01 NS42168, R01 NS042168-05A1] NR 45 TC 39 Z9 39 U1 0 U2 3 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1053-8119 J9 NEUROIMAGE JI Neuroimage PD OCT 15 PY 2007 VL 38 IS 1 BP 34 EP 42 DI 10.1016/j.neuroimage.2007.06.032 PG 9 WC Neurosciences; Neuroimaging; Radiology, Nuclear Medicine & Medical Imaging SC Neurosciences & Neurology; Radiology, Nuclear Medicine & Medical Imaging GA 218CF UT WOS:000249992900006 PM 17707126 ER PT J AU Beyeler, WE Glass, RJ Bech, ML Soramaki, K AF Beyeler, Walter E. Glass, Robert J. Bech, Morten L. Soramaki, Kimmo TI Congestion and cascades in payment systems SO PHYSICA A-STATISTICAL MECHANICS AND ITS APPLICATIONS LA English DT Article DE network; topology; interbank; payment; money market; sandpile model; congestion ID MARKET-MODELS; NETWORKS; TRANSMISSION; INFORMATION; MANAGEMENT; BEHAVIOR AB We develop a parsimonious model of the interbank payment system. The model incorporates an endogenous instruction arrival process, a scale-free topology of payments between banks, a fixed total liquidity which limits banks' capacity to process arriving instructions, and a global market that distributes liquidity. We find that at low liquidity the system becomes congested and payment settlement loses correlation with payment instruction arrival, becoming coupled across the network. The onset of congestion is evidently related to the relative values of three characteristic times: the time for banks' net position to return to 0, the time for a bank to exhaust its liquidity endowment, and the liquidity market relaxation time. In the congested regime settlement takes place in cascades having a characteristic length scale. A global liquidity market substantially attenuates congestion, requiring only a small fraction of the payment-induced liquidity flow to achieve strong beneficial effects. (C) 2007 Elsevier B.V. All rights reserved. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Fed Reserve Bank New York, New York, NY USA. Helsinki Univ Technol, Helsinki, Finland. RP Beyeler, WE (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM webeyel@sandia.gov NR 27 TC 11 Z9 11 U1 1 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0378-4371 J9 PHYSICA A JI Physica A PD OCT 15 PY 2007 VL 384 IS 2 BP 693 EP 718 DI 10.1016/j.physa.2007.05.061 PG 26 WC Physics, Multidisciplinary SC Physics GA 217IU UT WOS:000249942400053 ER PT J AU Mazzoleni, C Kuhns, HD Moosmuller, H Witt, J Nussbaum, NJ Chang, MCO Parthasarathy, G Nathagoundenpalayam, SKK Nikolich, G Watson, JG AF Mazzoleni, Claudio Kuhns, Hampden D. Moosm ller, Hans Witt, Jay Nussbaum, Nicholas J. Chang, M.-C. Oliver Parthasarathy, Gayathri Nathagoundenpalayam, Suresh Kumar K. Nikolich, George Watson, John G. TI A case study of real-world tailpipe emissions for school buses using a 20% biodiesel blend SO SCIENCE OF THE TOTAL ENVIRONMENT LA English DT Article DE real-world emissions; biodiesel; particulate; pollution; vehicles; diesel; fuel standard; aerosols; biofuels ID ON-ROAD MEASUREMENT; AUTOMOTIVE PARTICLE EMISSIONS; PARTICULATE MATTER; ULTRAVIOLET LIDAR; DIESEL-ENGINE; LAS-VEGAS; VEHICLES; TRANSMISSOMETER; INSTRUMENT; EXPOSURE AB Numerous laboratory studies report carbon monoxide, hydrocarbon, and particulate matter emission reductions with a slight nitrogen oxides emission increase from engines operating with biodiesel and biodiesel blends as compared to using petroleum diesel. We conducted a field study on a fleet of school buses to evaluate the effects of biodiesel use on gaseous and particulate matter fuel-based emission factors under real-world conditions. The field experiment was carried out in two phases during winter 2004. In January (phase 1), emissions from approximately 200 school buses operating on petroleum diesel were measured. Immediately after the end of the first phase measurement period, the buses were switched to a 20% biodiesel blend. Emission factors were measured again in March 2004 (phase 11) and compared with the January emission factors. To measure gaseous emission factors we used a commercial gaseous remote sensor. Particulate matter emission factors were determined with a combination of the gaseous remote sensor, a Lidar (light detection and ranging), and transmissometer system developed at the Desert Research Institute of Reno, NV, U.S.A. Particulate matter emissions from school buses significantly increased (up to a factor of 1.8) after the switch from petroleum diesel to a 20% biodiesel blend. The fuel used during this campaign was provided by a local distributor and was independently analyzed at the end of the on-road experiment. The analysis found high concentrations of free glycerin and reduced flash points in the B 100 parent fuel. Both measures indicate improper separation and processing of the biodiesel product during production. The biodiesel fuels used in the school buses were not in compliance with the U.S.A. ASTM D6751 biodiesel standard that was finalized in December of 2001. The U.S.A. National Biodiesel Board has formed a voluntary National Biodiesel Accreditation Program for producers and marketers of biodiesel to ensure product quality and compliance with the ASTM standard. The results of our study underline the importance of the program since potential emission benefits from biodiesel may be reduced or even reversed without appropriate fuel quality control on real-world fuels. (C) 2007 Elsevier B.V. All rights reserved. C1 Nevada Syst Higher Educ, Desert Res Inst, Reno, NV 89512 USA. Community Planning Assoc SW Idaho, Meridian, ID 83642 USA. RP Mazzoleni, C (reprint author), Los Alamos Natl Lab, Div Int Space & Response, Remote Sensing Grp, MS D436, Los Alamos, NM 87545 USA. EM Claudio@lanl.gov RI Kuhns, Hampden/C-3563-2008; Watson, John/E-6869-2010; Mazzoleni, Claudio/E-5615-2011; Moosmuller, Hans/F-8250-2011; OI Watson, John/0000-0002-1752-6899; Moosmuller, Hans/0000-0002-1021-8877 NR 41 TC 24 Z9 24 U1 0 U2 13 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0048-9697 J9 SCI TOTAL ENVIRON JI Sci. Total Environ. PD OCT 15 PY 2007 VL 385 IS 1-3 BP 146 EP 159 DI 10.1016/j.scitotenv.2007.06.018 PG 14 WC Environmental Sciences SC Environmental Sciences & Ecology GA 223FP UT WOS:000250355300015 PM 17673279 ER PT J AU Bundgaard, E Shaheen, SE Krebs, FC Ginley, DS AF Bundgaard, Eva Shaheen, Sean E. Krebs, Frederik C. Ginley, David S. TI Bulk heterojunctions based on a low band gap copolymer of thiophene and benzothiadiazole SO SOLAR ENERGY MATERIALS AND SOLAR CELLS LA English DT Article DE low band gap polymers; organic photovoltaic; device optimization; efficiency ID POLYMER PHOTOVOLTAIC CELLS; PLASTIC SOLAR-CELLS; MORPHOLOGY; EFFICIENCY; POLYTHIOPHENES; DESIGN AB We report on the incorporation of a low band gap copolymer based on thiophene and benzothiadiazole with a band gap of 1.65 eV into a bulk heterojunction device with the structure ITO/PEDOT:PSS/polymer:PCBM/Al. We have investigated the effects of process variable, including choice of solvent, polymer concentration and annealing temperature, on the photovoltaic device performance. The devices show spectral response down to the absorption edge of 1.65 eV and exhibit an efficiency of 1% under AM 1.5 illumination and a peak external quantum efficiency of 18 % at 600 nm. (c) 2007 Elsevier B.V. All rights reserved. C1 Riso Natl Lab, Danish Polymer Ctr, DK-4000 Roskilde, Denmark. Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Krebs, FC (reprint author), Riso Natl Lab, Danish Polymer Ctr, POB 49, DK-4000 Roskilde, Denmark. EM frederik.krebs@risoe.dk RI Shaheen, Sean/M-7893-2013; OI Bundgaard, Eva/0000-0003-3244-5779; Krebs, Frederik C/0000-0003-1148-4314 NR 33 TC 39 Z9 39 U1 0 U2 13 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0248 J9 SOL ENERG MAT SOL C JI Sol. Energy Mater. Sol. Cells PD OCT 15 PY 2007 VL 91 IS 17 BP 1631 EP 1637 DI 10.1016/j.solmat.2007.05.013 PG 7 WC Energy & Fuels; Materials Science, Multidisciplinary; Physics, Applied SC Energy & Fuels; Materials Science; Physics GA 215UZ UT WOS:000249835800005 ER PT J AU Fischer, P Kim, DH Mesler, BL Chao, W Sakdinawat, AE Anderson, EH AF Fischer, Peter Kim, Dong-Hyun Mesler, Brooke L. Chao, Weilun Sakdinawat, Anne E. Anderson, Erik H. TI Exploring nanomagnetism with soft X-ray microscopy SO SURFACE SCIENCE LA English DT Article; Proceedings Paper CT 5th International Conference on LEEM/PEEM CY OCT 15-19, 2006 CL Himeji, JAPAN SP Japan Soc Appl Phys, SPring 8, JSPS Int Sci Meetings Japan, Tsutomu Nakauchi Fdn DE magnetic soft X-ray microscopy; X-ray optics; fresnel zone plates; magnetic nanostructures; magnetization reversal; fast spin dynamics; X-ray magnetic circular dichroism ID DOMAIN-WALL MOTION; MAGNETIZATION DYNAMICS; SPATIAL-RESOLUTION; POLARIZATION AB Magnetic soft X-ray microscopy images magnetism in nanoscale systems with a spatial resolution down to 15 nm provided by state-of-the-art Fresnel zone plate optics. X-ray magnetic circular dichroism (X-MCD) is used as the element-specific magnetic contrast mechanism similar to photoemission electron microscopy (PEEM), however, with volume sensitivity and the ability to record the images in varying applied magnetic fields which allows study of magnetization reversal processes at fundamental length scales. Utilizing a stroboscopic pump-probe scheme one can investigate fast spin dynamics with a time resolution down to 70 ps which gives access to precessional and relaxation phenomena as well as spin torque driven domain wall dynamics in nanoscale systems. Current developments in zone plate optics aim for a spatial resolution towards 10 nm and at next generation X-ray sources a time resolution in the fs regime can be envisioned. (c) 2007 Elsevier B.V. All rights reserved. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Xray Opt, Berkeley, CA 94720 USA. Chungbuk Natl Univ, Dept Phys, Cheongju 361763, South Korea. RP Fischer, P (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Xray Opt, MS 2-400,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM PJFischer@lbl.gov RI Fischer, Peter/A-3020-2010; Kim, Dong-Hyun/F-7195-2012; MSD, Nanomag/F-6438-2012 OI Fischer, Peter/0000-0002-9824-9343; NR 39 TC 6 Z9 6 U1 0 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 J9 SURF SCI JI Surf. Sci. PD OCT 15 PY 2007 VL 601 IS 20 BP 4680 EP 4685 DI 10.1016/j.susc.2007.05.054 PG 6 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 230PX UT WOS:000250889500005 ER PT J AU Chen, X Schriver, M Suen, T Mao, SS AF Chen, Xiaobo Schriver, Maria Suen, Timothy Mao, Samuel S. TI Fabrication of 10 nm diameter TiO2 nanotube arrays by titanium anodization SO THIN SOLID FILMS LA English DT Article; Proceedings Paper CT 1st International Symposium on Transparent Conducting Oxides CY OCT 23-25, 2006 CL Crete, GREECE SP Perfecture Heraklion, Univ Crete, Phys Dept, Fdn Res & Technol Inst Elect Struture & Lasers DE titanium dioxide; nanotube; anodization ID ANODIC-OXIDATION; NANOMATERIALS; TEMPERATURE; ELECTRODE AB We report the fabrication of TiO2 nanotube thin films using anodization method with HCl electrolyte and copper cathode. The process represents an alternative electrochemical approach using a non-noble metal cathode along with a safer electrolyte. In addition to the choice of electrolyte, the electrolyte concentration, anodization voltage, and anodization time all affect nanotube morphology. TiO2 nanotubes with diameters as small as 10 nm were achieved. (c) 2007 Elsevier B.V. All rights reserved. C1 Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. RP Mao, SS (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM ssmao@lbl.gov NR 21 TC 41 Z9 46 U1 4 U2 23 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 OCT 15 PY 2007 VL 515 IS 24 BP 8511 EP 8514 DI 10.1016/j.tsf.2007.03.110 PG 4 WC Materials Science, Multidisciplinary; Materials Science, Coatings & Films; Physics, Applied; Physics, Condensed Matter SC Materials Science; Physics GA 225DJ UT WOS:000250497000017 ER PT J AU Fan, H Pratt, ST Miller, JA AF Fan, Haiyan Pratt, Stephen T. Miller, James A. TI Secondary decomposition of C3H5 radicals formed by the photodissociation of 2-bromopropene SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID 193 NM PHOTODISSOCIATION; UNIMOLECULAR DISSOCIATION; ENERGY-DEPENDENCE; ALLYL CHLORIDE; DYNAMICS; ALLENE; PHOTOLYSIS; HYDROGEN; PROPYNE AB The photodissociation of 2-bromopropene at 193 nm produces C3H5 radicals with a distribution of internal energies that spans the threshold for the secondary decomposition of the 2-propenyl radicals into C3H4+H. Just above this threshold, the decomposition rate is on the nanosecond time scale, and in the present study, time-resolved velocity-map ion imaging is used to gain insight into this process. The results provide information on the energy dependence of the secondary dissociation process. In addition, comparison of the results with theoretical predictions of the energy dependence of the dissociation rate provides information on the branching between fragment rotational and vibrational energies in the primary photodissociation process. C1 Argonne Natl Lab, Argonne, IL 60439 USA. Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. RP Fan, H (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. NR 33 TC 4 Z9 4 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 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD OCT 14 PY 2007 VL 127 IS 14 AR 144301 DI 10.1063/1.2775445 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 220EX UT WOS:000250140800015 PM 17935389 ER PT J AU Hammond, JR Kowalski, K deJong, WA AF Hammond, Jeff R. Kowalski, Karol deJong, Wibe A. TI Dynamic polarizabilities of polyaromatic hydrocarbons using coupled-cluster linear response theory SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID FREQUENCY-DEPENDENT POLARIZABILITIES; MOLECULAR ELECTRIC PROPERTIES; LEVEL-CORRELATED CALCULATIONS; POLARIZED BASIS-SETS; DENSITY-FUNCTIONAL-THEORY; GAUSSIAN-BASIS SETS; CONFIGURATION-INTERACTION; ORBITAL METHODS; WAVE-FUNCTIONS; COTTON-MOUTON AB Coupled-cluster theory with single and double excitations is applied to the calculation of optical properties of large polyaromatic hydrocarbons. Dipole polarizabilities are reported for benzene, pyrene, and the oligoacenes sequence n=2-6. Dynamic polarizabilities were calculated on polyacences as large as pentacene for a single frequency and for benzene and pyrene at many frequencies. The basis set effect was studied for benzene using a variety of basis sets in the Pople [Theor. Chim. Acta 28, 213 (1973)] and Dunning [J. Chem. Phys. 90, 1007 (1989)] families up to aug-cc-pVQZ and the Sadlej pVTZ basis [Collect. Czech. Chem. Commun. 53, 1995 (1998)], which was used exclusively for the largest molecules. Geometries were optimized using HF, B3LYP, PBE0, and MP2 and compared to experiment to measure method dependence and the possible role of bond-length alternation. Finally, the polarizability results were compared to four common density functionals (B3LYP, BLYP, PBE0, PBE). (c) 2007 American Institute of Physics. C1 Univ Chicago, Dept Chem, Chicago, IL 60637 USA. Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. RP Hammond, JR (reprint author), Univ Chicago, Dept Chem, Chicago, IL 60637 USA. EM jhammond@uchicago.edu RI DE JONG, WIBE/A-5443-2008; Hammond, Jeff/G-8607-2013 OI DE JONG, WIBE/0000-0002-7114-8315; Hammond, Jeff/0000-0003-3181-8190 NR 69 TC 36 Z9 36 U1 0 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 OCT 14 PY 2007 VL 127 IS 14 AR 144105 DI 10.1063/1.2772853 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 220EX UT WOS:000250140800010 PM 17935384 ER PT J AU in't Veld, PJ Ismail, AE Grest, GS AF in't Veld, Pieter J. Ismail, Ahmed E. Grest, Gary S. TI Application of Ewald summations to long-range dispersion forces SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID MOLECULAR-DYNAMICS SIMULATIONS; LIQUID-VAPOR INTERFACE; LENNARD-JONES FLUID; N-ALKANES; SUMS; WATER; MESH; CONVERGENCE; ALGORITHM; SYSTEMS AB Results illustrating the effects of using explicit summation terms for the r(-6) dispersion term on the interfacial properties of a Lennard-Jones fluid and SPC/E water are presented. For the Lennard-Jones fluid, we find that the use of long-range summations, even with a short "crossover radius," yields results that are consistent with simulations using large cutoff radii. Simulations of SPC/E water demonstrate that the long-range dispersion forces are of secondary importance to the Coulombic forces. In both cases, we find that the ratio of the box size L-parallel to to the crossover radius r(c)(k) plays an important role in determining the magnitude of the long-range dispersion correction, although its effect is secondary when Coulombic interactions are also present. (C) 2007 American Institute of Physics. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP in't Veld, PJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM aismail@sandia.gov RI Ismail, Ahmed/B-7790-2009 OI Ismail, Ahmed/0000-0001-9929-5598 NR 31 TC 54 Z9 54 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 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD OCT 14 PY 2007 VL 127 IS 14 AR 144711 DI 10.1063/1.2770730 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 220EX UT WOS:000250140800053 PM 17935427 ER PT J AU Katcho, NA Zetterstrom, P Lomba, E Otero-Diaz, LC Wang, YD Ren, Y Gruner, S AF Katcho, N. A. Zetterstrom, P. Lomba, E. Otero-Diaz, L. C. Wang, Y. D. Ren, Y. Gruner, S. TI Microscopic structure and dynamics of molten Se50Te50 alloys SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID 1ST-PRINCIPLES MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; SHORT-RANGE ORDER; WAVE BASIS-SET; NEUTRON-SCATTERING; LIQUID TELLURIUM; SELENIUM; METALS; PSEUDOPOTENTIALS; SIMULATION AB In this work we investigate the microscopic structure and dynamics of the molten equimolar alloy, Se50Te50 using a combination of neutron and x-ray diffraction experiments, reverse Monte Carlo analysis, and first principles molecular dynamics. The range of temperatures studied covers the semiconductor/metal transition. From our results it can be seen that the latter is associated with an increase in coordination numbers and a reduced tendency to heterocoordination. In agreement with previous inelastic neutron scattering experiments, our molecular dynamics calculation predict a certain widening of the stretching vibrational modes band in connection with the increase of coordination and the presence of longer bonds in the metallic phase. (C) 2007 American Institute of Physics. C1 CSIC, Inst Quim Fis Rocasolano, E-28006 Madrid, Spain. Univ Complutense Madrid, Dept Quim Inorgan 1, E-28040 Madrid, Spain. Northeastern Univ, Sch Mat & Met, Shenyang 110004, Peoples R China. Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. Argonne Natl Lab, Adv Photon Source, Xray Sci Div, Argonne, IL 60439 USA. TU Chemnitz, Inst Phys, D-09107 Chemnitz, Germany. RP Katcho, NA (reprint author), CSIC, Inst Quim Fis Rocasolano, Serrano 119, E-28006 Madrid, Spain. EM E.Lomba@iqfr.csic.es RI Lomba, Enrique/B-1279-2011; wang, yandong/G-9404-2013; Katcho, Nebil/L-1352-2015; Otero-Diaz, L. Carlos/F-3808-2016 OI Lomba, Enrique/0000-0002-4768-2040; NR 35 TC 2 Z9 2 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 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD OCT 14 PY 2007 VL 127 IS 14 AR 144707 DI 10.1063/1.2790899 PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 220EX UT WOS:000250140800049 PM 17935423 ER PT J AU Ostrom, H Ogasawara, H Naslund, LA Andersson, K Pettersson, LGM Nilsson, A AF Ostrom, H. Ogasawara, H. Naslund, L.-A. Andersson, K. Pettersson, L. G. M. Nilsson, A. TI Geometric and electronic structure of methane adsorbed on a Pt surface SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID RAY-EMISSION-SPECTROSCOPY; N-OCTANE; DISSOCIATIVE CHEMISORPTION; NI(111) SURFACES; CH4 DISSOCIATION; PT(111) SURFACE; MOLECULAR-BEAM; METAL-SURFACES; ENERGY LOSS; C-H AB The electronic structure of methane adsorbed on Pt(977) is investigated using angle-resolved x-ray absorption spectroscopy (XAS) in combination with density functional theory spectrum calculations. XAS, which probes the unoccupied states atom specifically, shows the appearance of the symmetry-forbidden gas-phase lowest unoccupied molecular orbital due to s-p rehybridization. In addition new adsorption-induced states appear just above the Fermi level. A systematic investigation, where computed XA spectra are compared with the experiment, indicates elongation of the C-H bond pointing toward the surface to 1.18 +/- 0.05 A. The bond elongation arises due to mixing between bonding and antibonding C-H orbitals. Computed charge density difference plots show that no covalent chemical bond is formed between the adsorbate and substrate upon adsorption. The changes in electronic structure arise in order to minimize the Pauli repulsion by polarizing charge away from the surface toward the carbon atom of the methane molecule. (C) 2007 American Institute of Physics. C1 Univ Stockholm, SE-10691 Stockholm, Sweden. Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. RP Ostrom, H (reprint author), Univ Stockholm, SE-10691 Stockholm, Sweden. EM ostrom@physto.se; lgm@physto.se; 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; Andersson, Klas J./0000-0002-6064-5658 NR 62 TC 13 Z9 13 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 OCT 14 PY 2007 VL 127 IS 14 AR 144702 DI 10.1063/1.2781470 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 220EX UT WOS:000250140800044 PM 17935418 ER PT J AU Sewell, TD Rasmussen, KO Bedrov, D Smith, GD Thompson, RB AF Sewell, Thomas D. Rasmussen, Kim O. Bedrov, Dmitry Smith, Grant D. Thompson, Russell B. TI Bidirectional mapping between self-consistent field theory and molecular dynamics: Application to immiscible homopolymer blends SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID COARSE-GRAINED MODELS; VINYL POLYMER-CHAINS; TRIBLOCK COPOLYMER; BLOCK-COPOLYMERS; SIMULATIONS; ALGORITHM; PHASE; MELTS; INTERFACE; BEHAVIOR AB A bidirectional mapping scheme that bridges particle-based and field-based descriptions for polymers is presented. Initial application is made to immiscible homopolymer blends. The forward mapping (upscaling) approach is based on the use of molecular dynamics simulations to calculate interfacial density profiles for polymer molecular weights that can be readily relaxed using standard simulation methods. These profiles are used to determine the optimal, effective interaction parameter that appears in the one-parameter self-consistent field theory treatment employed in the present work. Reverse mapping from a field representation to a particle-based description is accomplished by the application of a density-biased Monte Carlo method that generates representative chain configurations in the blend using statistical weights derived from fields obtained from self-consistent field theory. (C) 2007 American Institute of Physics. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Univ Utah, Dept Mat Sci & Engn, Salt Lake City, UT 84112 USA. Univ Waterloo, Dept Phys & Astron, Waterloo, ON N2L 3G1, Canada. RP Sewell, TD (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RI Rasmussen, Kim/B-5464-2009; Thompson, Russell/J-6326-2012 OI Rasmussen, Kim/0000-0002-4029-4723; Thompson, Russell/0000-0002-6571-558X NR 26 TC 7 Z9 7 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 0021-9606 J9 J CHEM PHYS JI J. Chem. Phys. PD OCT 14 PY 2007 VL 127 IS 14 AR 144901 DI 10.1063/1.2776261 PG 10 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 220EX UT WOS:000250140800059 PM 17935433 ER PT J AU Shah, JK Asthagiri, D Pratt, LR Paulaitis, ME AF Shah, J. K. Asthagiri, D. Pratt, L. R. Paulaitis, M. E. TI Balancing local order and long-ranged interactions in the molecular theory of liquid water SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID QUASI-CHEMICAL THEORY; HYDROGEN-BONDED FLUIDS; CLUSTER EXPANSIONS; HYDRATION NUMBER; LATTICE GAS; FREE-ENERGY; MODEL; HYDROPHOBICITY; ASSOCIATION; ADAPTATION AB A molecular theory of liquid water is identified and studied on the basis of computer simulation of the TIP3P model of liquid water. This theory would be exact for models of liquid water in which the intermolecular interactions vanish outside a finite spatial range, and therefore provides a precise analysis tool for investigating the effects of longer-ranged intermolecular interactions. We show how local order can be introduced through quasichemical theory. Long-ranged interactions are characterized generally by a conditional distribution of binding energies, and this formulation is interpreted as a regularization of the primitive statistical thermodynamic problem. These binding-energy distributions for liquid water are observed to be unimodal. The Gaussian approximation proposed is remarkably successful in predicting the Gibbs free energy and the molar entropy of liquid water, as judged by comparison with numerically exact results. The remaining discrepancies are subtle quantitative problems that do have significant consequences for the thermodynamic properties that distinguish water from many other liquids. The basic subtlety of liquid water is found then in the competition of several effects which must be quantitatively balanced for realistic results. (C) 2007 American Institute of Physics. C1 Ohio State Univ, Dept Chem & Biochem Engn, Columbus, OH 43210 USA. Johns Hopkins Univ, Dept Chem & Biomol Engn, Baltimore, MD 21218 USA. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Shah, JK (reprint author), Ohio State Univ, Dept Chem & Biochem Engn, Columbus, OH 43210 USA. RI Asthagiri, Dilipkumar/A-3383-2010; Pratt, Lawrence/H-7955-2012; Asthagiri, Dilipkumar/P-9450-2016 OI Pratt, Lawrence/0000-0003-2351-7451; Asthagiri, Dilipkumar/0000-0001-5869-0807 NR 37 TC 31 Z9 31 U1 2 U2 8 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 OCT 14 PY 2007 VL 127 IS 14 AR 144508 DI 10.1063/1.2766940 PG 7 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 220EX UT WOS:000250140800036 PM 17935410 ER PT J AU Lowe, XR Lu, XC Marchetti, F Wyrobek, AJ AF Lowe, Xiu R. Lu, Xiaochen Marchetti, Francesco Wyrobek, Andrew J. TI The expression of Troponin T1 gene is induced by ketamine in adult mouse brain SO BRAIN RESEARCH LA English DT Article DE ketamine; troponin T1; metabolic syndrome; mouse brain ID MULTIPLE METABOLIC PATHWAYS; SKELETAL-MUSCLE; RECEPTOR ANTAGONIST; MICROARRAY ANALYSIS; BIPOLAR-DISORDER; DRUG-NAIVE; FOXO1; SCHIZOPHRENIA; DISEASE; MICE AB The glutamatergic system has been implicated in neuropsychiatric disorders, such as schizophrenia, bipolar disorder and Alzheimer's disease, which also have a high prevalence of metabolic syndrome. Treatment with ketamine, a non-competitive glutamate N-methyl-D-aspartic acid (NMDA) receptor antagonist, is known to have paradoxical effects of neuroprotection and neurotoxicity. We investigated gene expression in brain tissue of adult mice treated with ketamine to characterize the expression profiles and to identify the affected metabolic pathways. Adult male mice were treated by a single intraperitoneal (i.p.) injection of either s(+)ketamine (80 mg/kg) or distilled water (as the control). Fifty genes were differentially expressed in ketamine-treated mouse brains compared with control mice using oligonucleotide microarray analysis, and the expression of Troponin T1 (Tnnt1) gene was consistently elevated (2- to 4-fold) (p < 0.001). Ketamine-induced Tnnt1 expression was confirmed and characterized using RNA in situ hybridization techniques in paraffin embedded brain tissue sections. Tnnt1 expression was induced in the granule layer of the hippocampus, amygdala, hypothalamus, Purkinje cells of cerebellum (p < 0.0001), and cerebral cortex. Tnnt1 gene is known to interact directly with FoxO1, which is involved in multiple peripheral metabolic pathways and central energy homeostasis. Our findings suggest that the induction of Tnnt1 gene expression in adult mouse brains by ketamine may illustrate the genes involved in the metabolic syndromes observed in neuropsychiatric disorders. (c) 2007 Elsevier B.V. All rights reserved. C1 Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. Lawrence Livermore Natl Lab, Livermore, CA USA. Kaiser Permanente Med Grp Inc, Dept Psychiat, Hayward, CA USA. RP Lowe, XR (reprint author), Lawrence Berkeley Natl Lab, Div Life Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM XRLowe@lbl.gov OI Marchetti, Francesco/0000-0002-9435-4867 NR 42 TC 16 Z9 18 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0006-8993 J9 BRAIN RES JI Brain Res. PD OCT 12 PY 2007 VL 1174 BP 7 EP 17 DI 10.1016/j.brainres.2007.07.039 PG 11 WC Neurosciences SC Neurosciences & Neurology GA 226TU UT WOS:000250612200002 PM 17850769 ER PT J AU Gustafson, WI Chapman, EG Ghan, SJ Easter, RC Fast, JD AF Gustafson, William I., Jr. Chapman, Elaine G. Ghan, Steven J. Easter, Richard C. Fast, Jerome D. TI Impact on modeled cloud characteristics due to simplified treatment of uniform cloud condensation nuclei during NEAQS 2004 SO GEOPHYSICAL RESEARCH LETTERS LA English DT Article ID AEROSOLS; PARAMETERIZATION; SIZE; MICROPHYSICS; CHEMISTRY; RADIATION; MIRAGE AB [1] Subgrid-scale cloud condensation nuclei (CCN) heterogeneity is not represented in global climate models (GCM) and potentially contributes systematic errors to simulated cloud effects. High-resolution WRF-Chem model simulations were performed to investigate the impact of assuming a uniform CCN distribution on cloud properties and surface radiation over a region the size of a GCM grid column. Results indicate that a prescribed CCN distribution allowing for vertical and temporal fluctuations does substantially better in simulating cloud properties and radiative effects than does a prescribed uniform and constant CCN distribution. Spatially and temporally averaged net effects on downwelling shortwave radiation are between -3 and -11 W m -2 for the fluctuating and uniform distributions, respectively, versus a control simulation with fully interactive aerosols. Both prescribed CCN distributions produce optically thicker clouds more often than the control, with the mean cloud optical depth increasing by over 25% when using the uniform and constant CCN distribution. C1 Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Richland, WA 99352 USA. RP Gustafson, WI (reprint author), Pacific NW Natl Lab, Atmospher Sci & Global Change Div, Post Off Box 999,MSIN K9-30, Richland, WA 99352 USA. EM william.gustafson@pnl.gov RI Gustafson, William/A-7732-2008; Chapman, Elaine/K-8756-2012; Ghan, Steven/H-4301-2011 OI Gustafson, William/0000-0001-9927-1393; Ghan, Steven/0000-0001-8355-8699 NR 24 TC 68 Z9 68 U1 1 U2 17 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0094-8276 J9 GEOPHYS RES LETT JI Geophys. Res. Lett. PD OCT 12 PY 2007 VL 34 IS 19 AR L19809 DI 10.1029/2007GL030021 PG 5 WC Geosciences, Multidisciplinary SC Geology GA 221HM UT WOS:000250218000001 ER PT J AU Hammel, M Sfyroera, G Pyrpassopoulos, S Ricklin, D Ramyar, KX Pop, M Jin, Z Lambris, JD Geisbrecht, BV AF Hammel, Michal Sfyroera, Georgia Pyrpassopoulos, Serapion Ricklin, Daniel Ramyar, Kasra X. Pop, Mihai Jin, Zhongmin Lambris, John D. Geisbrecht, Brian V. TI Characterization of Ehp, a secreted complement inhibitory protein from Staphylococcus aureus SO JOURNAL OF BIOLOGICAL CHEMISTRY LA English DT Article ID FIBRINOGEN-BINDING PROTEIN; CONFORMATIONAL-CHANGES; IMMUNE EVASION; FACTOR-H; ACTIVATION PRODUCTS; 3RD COMPONENT; C3; COMPSTATIN; INNATE; C-3 AB We report here the discovery and characterization of Ehp, a new secreted Staphylococcus aureus protein that potently inhibits the alternative complement activation pathway. Ehp was identified through a genomic scan as an uncharacterized secreted protein from S. aureus, and immunoblotting of conditioned S. aureus culture medium revealed that the Ehp protein was secreted at the highest levels during log-phase bacterial growth. The mature Ehp polypeptide is composed of 80 residues and is 44% identical to the complement inhibitory domain of S. aureus Efb ( extracellular fibrinogen-binding protein). We observed preferential binding by Ehp to native and hydrolyzed C3 relative to fully active C3b and found that Ehp formed a subnanomolar affinity complex with these various forms of C3 by binding to its thioester-containing C3d domain. Site-directed mutagenesis demonstrated that Arg(75) and Asn(82) are important in forming the Ehp.C3d complex, but loss of these side chains did not completely disrupt Ehp/C3dbinding. This suggested the presence of a second C3d-binding site in Ehp, which was mapped to the proximity of Ehp Asn(63). Further molecular level details of the Ehp/C3d interaction were revealed by solving the 2.7-angstrom crystal structure of an Ehp.C3d complex in which the low affinity site had been mutationally inactivated. Ehp potently inhibited C3b deposition onto sensitized surfaces by the alternative complement activation pathway. This inhibition was directly related to Ehp/C3d binding and was more potent than that seen for Efb-C. An altered conformation in Ehp-bound C3 was detected by monoclonal antibody C3-9, which is specific for a neoantigen exposed in activated forms of C3. Our results suggest that increased inhibitory potency of Ehp relative to Efb-C is derived from the second C3-binding site in this new protein. C1 Univ Missouri, Sch Biol Sci, Div Cell Biol & Biophys, Kansas City, MO 64110 USA. Univ Penn, Dept Pathol & Lab Med, Philadelphia, PA 19105 USA. Johns Hopkins Univ, Dept Med, Baltimore, MD 21224 USA. Univ Maryland, Ctr Bioinformat & Computat Biol, College Pk, MD 20742 USA. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Geisbrecht, BV (reprint author), Univ Missouri, Sch Biol Sci, Div Cell Biol & Biophys, 5100 Rockhill Rd, Kansas City, MO 64110 USA. EM GeisbrechtB@umkc.edu RI Ricklin, Daniel/F-5104-2011; Pop, Mihai/A-7987-2013; OI Ricklin, Daniel/0000-0001-6140-0233; Pop, Mihai/0000-0001-9617-5304; Lambris, John/0000-0002-9370-5776 FU NIAID NIH HHS [AI30040] NR 57 TC 54 Z9 54 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 OCT 12 PY 2007 VL 282 IS 41 BP 30051 EP 30061 DI 10.1074/jbc.M704247200 PG 11 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 217XS UT WOS:000249981200035 PM 17699522 ER PT J AU King, NP Yeates, EO Yeates, TO AF King, Nell P. Yeates, Eric O. Yeates, Todd O. TI Identification of rare slipknots in proteins and their implications for stability and folding SO JOURNAL OF MOLECULAR BIOLOGY LA English DT Article DE protein knots; protein folding; alkaline phosphatase; thermophilic proteins; protein topology ID COLI ALKALINE-PHOSPHATASE; ESCHERICHIA-COLI; CRYSTAL-STRUCTURE; KNOTTED PROTEIN; ACTIVE-SITE; CRENARCHAEAL VIRUSES; CONTACT ORDER; BINDING; TOPOLOGY; ION AB Among the thousands of known three-dimensional protein folds, only a few have been found whose backbones are in knotted configurations. The rarity of knotted proteins has important implications for how natural proteins reach their natively folded states. Proteins with such unusual features offer unique opportunities for studying the relationships between structure, folding, and stability. Here we report the identification of a unique slipknot feature in the fold of a well-known thermostable protein, alkaline phosphatase. A slipknot is created when a knot is formed by part of a protein chain, after which the backbone doubles back so that the entire structure becomes unknotted in a mathematical sense. Slipknots are therefore not detected by computational tests that look for knots in complete protein structures. A computational survey looking specifically for slipknots in the Protein Data Bank reveals a few other instances in addition to alkaline phosphatase. Unexpected similarities are noted among some of the proteins identified. In addition, two transmembrane proteins are found to contain slipknots. Finally, mutagenesis experiments on alkaline phosphatase are used to probe the contribution the slipknot feature makes to thermal stability. The trends and conserved features observed in these proteins provide new insights into mechanisms of protein folding and stability. (C) 2007 Elsevier Ltd. All rights reserved. C1 Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. Univ Calif Los Angeles, DOE, Inst Genom & Proteom, Los Angeles, CA 90095 USA. RP Yeates, TO (reprint author), Univ Calif Los Angeles, Dept Chem & Biochem, 611 Charles Young Dr E, Los Angeles, CA 90095 USA. EM yeates@mbi.ucla.edu OI Yeates, Todd/0000-0001-5709-9839 NR 56 TC 60 Z9 61 U1 0 U2 4 PU ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0022-2836 EI 1089-8638 J9 J MOL BIOL JI J. Mol. Biol. PD OCT 12 PY 2007 VL 373 IS 1 BP 153 EP 166 DI 10.1016/j.jmb.2007.07.042 PG 14 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 217LG UT WOS:000249948800012 PM 17764691 ER PT J AU Aaltonen, T Abulencia, A Adelman, J Affolder, T Akimoto, T Albrow, MG Amerio, S Amidei, D Anastassov, A Anikeev, K Annovi, A Antos, J Aoki, M Apollinari, G Arisawa, T Artikov, A Ashmanskas, W Attal, A Aurisano, A Azfar, F Azzi-Bacchetta, P Azzurri, P Bacchetta, N Badgett, W Barbaro-Galtieri, A Barnes, VE Barnett, BA Baroiant, S Bartsch, V Bauer, G Beauchemin, PH Bedeschi, F Behari, S Bellettini, G Bellinger, J Belloni, A Benjamin, D Beretvas, A Beringer, J Berry, T Bhatti, A Binkley, M Bisello, D Bizjak, I Blair, RE Blocker, C Blumenfeld, B Bocci, A Bodek, A Boisvert, V Bolla, G Bolshov, A Bortoletto, D Boudreau, J Boveia, A Brau, B Brigliadori, L Bromberg, C Brubaker, E Budagov, J Budd, HS Budd, S Burkett, K Busetto, G Bussey, P Buzatu, A Byrum, KL Cabrera, S Campanelli, M Campbell, M Canelli, F Canepa, A Carrillo, S Carlsmith, D Carosi, R Carron, S Casal, B Casarsa, M Castro, A Catastini, P Cauz, D Cavalli-Sforza, M Cerri, A Cerrito, L Chang, SH Chen, YC Chertok, M Chiarelli, G Chlachidze, G Chlebana, F Cho, I Cho, K Chokheli, D Chou, JP Choudalakis, G Chuang, SH Chung, K Chung, WH Chung, YS Cilijak, M Ciobanu, CI Ciocci, MA Clark, A Clark, D Coca, M Compostella, G Convery, ME Conway, J Cooper, B Copic, K Cordelli, M Cortiana, G Crescioli, F Almenar, CC Cuevas, J Culbertson, R Cully, JC DaRonco, S Datta, M D'Auria, S Davies, T Dagenhart, D de Barbaro, P De Cecco, S Deisher, A De Lentdecker, G De Lorenzo, G Dell'Orso, M Paoli, FD Demortier, L Deng, J Deninno, M De Pedis, D Derwent, PF Di Giovanni, GP Dionisi, C Di Ruzza, B Dittmann, JR D'Onofrio, M Dorr, C Donati, S Dong, P Donini, J Dorigo, T Dube, S Efron, 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 Forrest, R Forrester, S Franklin, M Freeman, JC Furic, I Gallinaro, M Galyardt, J Garcia, JE Garberson, F Garfinkel, AF Gay, C Gerberich, H Gerdes, D Giagu, S Giannetti, P Gibson, K Gimmell, JL Ginsburg, C Giokaris, N Giordani, M Giromini, P Giunta, M Giurgiu, G Glagolev, V Glenzinski, D Gold, M Goldschmidt, N Goldstein, J Golossanov, A Gomez, G Gomez-Ceballos, G Goncharov, M Gonzalez, O Gorelov, I Goshaw, AT Goulianos, K Gresele, A Grinstein, S Grosso-Pilcher, C Group, RC Grundler, U da Costa, JG Gunay-Unalan, Z Haber, C Hahn, K Hahn, SR Halkiadakis, E Hamilton, A Han, BY Han, JY Handler, R Happacher, F Hara, K Hare, D Hare, M Harper, S Harr, RF Harris, RM Hartz, M Hatakeyama, K Hauser, J Hays, C Heck, M Heijboer, A Heinemann, B Heinrich, J Henderson, C Herndon, M Hidas, D Hill, CS Hirschbuehl, D Hocker, A Holloway, A Hou, S Houlden, M Hsu, SC Huffman, BT Hughes, RE Husemann, U Huston, J Incandela, J Introzzi, G Iori, M Ivanov, A Iyutin, B James, E Jang, D Jayatilaka, B Jeans, D Jeon, EJ Jindariani, S Johnson, W Jones, M Joo, KK Jun, SY Jung, JE Junk, TR Kamon, T Karchin, PE Kato, Y Kemp, Y Kephart, R Kerzel, U Khotilovich, V Kilminster, B Kim, DH Kim, HS Kim, JE Kim, MJ Kim, SB Kim, SH Kim, YK Kimura, N Kirsch, L Klimenko, S Klute, M Knuteson, B Ko, BR Kondo, K Kong, DJ Konigsberg, J Korytov, A Kotwal, AV Kraan, AC Kraus, J Kreps, M Kroll, J Krumnack, N Kruse, M Krutelyov, V Kubo, T Kuhlmann, SE Kuhr, T Kulkarni, NP Kusakabe, Y Kwang, S Laasanen, AT Lai, S Lami, S Lammel, S Lancaster, M Lander, RL Lannon, K Lath, A Latino, G Lazzizzera, I LeCompte, T Lee, J Lee, J Lee, YJ Lee, SW Lefevre, R Leonardo, N Leone, S Levy, S Lewis, JD Lin, C Lin, CS Lindgren, M Lipeles, E Liss, TM Lister, A Litvintsev, DO Liu, T Lockyer, NS Loginov, A Loreti, M 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 Makhoul, K Maki, T Maksimovic, P Malde, S Malik, S Manca, G Manousakis, A Margaroli, F Marginean, R Marino, C Marino, CP Martin, A Martin, M Martin, V Martinez, M Martinez-Ballarin, R Maruyama, T Mastrandrea, P Masubuchi, T Matsunaga, H Mattson, ME Mazini, R Mazzanti, P McFarland, KS McIntyre, P McNulty, R Mehta, A Mehtala, P Menzemer, S Menzione, A Merkel, P Mesropian, C Messina, A Miao, T Miladinovic, N Miles, J Miller, R Mills, C Milnik, M Mitra, A Mitselmakher, G Miyamoto, A Moed, S Moggi, N Mohr, B Moon, CS Moore, R Morello, M Fernandez, PM Mulmenstadt, J Mukherjee, A Muller, T Mumford, R Murat, P Mussini, M Nachtman, J Nagano, A Naganoma, J Nakamura, K Nakano, I Napier, A Necula, V Neu, C Neubauer, MS Nielsen, J Nodulman, L Norniella, O Nurse, E Oh, SH Oh, YD Oksuzian, I Okusawa, T Oldeman, R Orava, R Osterberg, K Pagliarone, C Palencia, E Papadimitriou, V Papaikonomou, 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 Pinera, L Pitts, K Plager, C Pondrom, L Portell, X Poukhov, O Pounder, N Prakoshyn, F Pronko, A Proudfoot, J Ptohos, F Punzi, G Pursley, J Rademacker, J Rahaman, A Ramakrishnan, V Ranjan, N Redondo, I Reisert, B Rekovic, V Renton, P Rescigno, M Richter, S Rimondi, F Ristori, L Robson, A Rodrigo, T Rogers, E Rolli, S Roser, R Rossi, M Rossin, R Roy, P Ruiz, A Russ, J Rusu, V Saarikko, H Safonov, A Sakumoto, WK Salamanna, G Salto, O Santi, L Sarkar, S Sartori, L 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 Sexton-Kennedy, L Sfyrla, A Shalhout, SZ Shapiro, MD Shears, T Shepard, PF Sherman, D Shimojima, M Shochet, M Shon, Y Shreyber, I Sidoti, A Sinervo, P Sisakyan, A Slaughter, AJ Slaunwhite, J Sliwa, K Smith, JR Snider, FD Snihur, R Soderberg, M Soha, A Somalwar, S Sorin, V Spalding, J Spinella, F Spreitzer, T Squillacioti, P Stanitzki, M Staveris-Polykalas, A Denis, RS Stelzer, B Stelzer-Chilton, O Stentz, D Strologas, J Stuart, D Suh, JS Sukhanov, A Sun, H Suslov, I Suzuki, T Taffard, A Takashima, R Takeuchi, Y Tanaka, R Tecchio, M Teng, PK Terashi, K Thom, J Thompson, AS Thomson, E Tipton, P Tiwari, V Tkaczyk, S Toback, D Tokar, S Tollefson, K Tomura, T Tonelli, D Torre, S Torretta, D Tourneur, S Trischuk, W Tsuno, S Tu, Y Turini, N Ukegawa, F Uozumi, S Vallecorsa, S van Remortel, N Varganov, A Vataga, E Vazquez, F Velev, G Vellidis, C Veramendi, G Veszpremi, V Vidal, M Vidal, R Vila, I Vilar, R Vine, T Vogel, M Vollrath, I Volobouev, I Volpi, G Wurthwein, F Wagner, P Wagner, RG Wagner, RL Wagner, J Wagner, W Wallny, R Wang, SM Warburton, A Waters, D Weinberger, M Wester, WC Whitehouse, B Whiteson, D Wicklund, AB Wicklund, E Williams, G Williams, HH Wilson, P Winer, BL Wittich, P Wolbers, S Wolfe, C Wright, T Wu, X Wynne, SM Yagil, A Yamamoto, K Yamaoka, J Yamashita, T Yang, C Yang, UK Yang, YC Yao, WM Yeh, GP Yoh, J Yorita, K Yoshida, T Yu, GB Yu, I Yu, SS Yun, JC Zanello, L Zanetti, A Zaw, I Zhang, X AF Aaltonen, T. Abulencia, A. Adelman, J. Affolder, T. Akimoto, T. Albrow, M. G. Amerio, S. Amidei, D. Anastassov, A. Anikeev, K. Annovi, A. Antos, J. Aoki, M. Apollinari, G. Arisawa, T. Artikov, A. Ashmanskas, W. Attal, A. Aurisano, A. Azfar, F. Azzi-Bacchetta, P. Azzurri, P. Bacchetta, N. Badgett, W. Barbaro-Galtieri, A. Barnes, V. E. Barnett, B. A. Baroiant, S. Bartsch, V. Bauer, G. Beauchemin, P.-H. Bedeschi, F. Behari, S. Bellettini, G. Bellinger, J. Belloni, A. Benjamin, D. Beretvas, A. Beringer, J. Berry, T. Bhatti, A. Binkley, M. Bisello, D. Bizjak, I. Blair, R. E. Blocker, C. Blumenfeld, B. Bocci, A. Bodek, A. Boisvert, V. Bolla, G. Bolshov, A. Bortoletto, D. Boudreau, J. Boveia, A. Brau, B. Brigliadori, L. Bromberg, C. Brubaker, E. Budagov, J. Budd, H. S. Budd, S. Burkett, K. Busetto, G. Bussey, P. Buzatu, A. Byrum, K. L. Cabrera, S. Campanelli, M. Campbell, M. Canelli, F. Canepa, A. Carrillo, S. Carlsmith, D. Carosi, R. Carron, S. Casal, B. Casarsa, M. Castro, A. Catastini, P. Cauz, D. Cavalli-Sforza, M. Cerri, A. Cerrito, L. Chang, S. H. Chen, Y. C. Chertok, M. Chiarelli, G. Chlachidze, G. Chlebana, F. Cho, I. Cho, K. Chokheli, D. Chou, J. P. Choudalakis, G. Chuang, S. H. Chung, K. Chung, W. H. Chung, Y. S. Cilijak, M. Ciobanu, C. I. Ciocci, M. A. Clark, A. Clark, D. Coca, M. Compostella, G. Convery, M. E. Conway, J. Cooper, B. Copic, K. Cordelli, M. Cortiana, G. Crescioli, F. Almenar, C. Cuenca Cuevas, J. Culbertson, R. Cully, J. C. DaRonco, S. Datta, M. D'Auria, S. Davies, T. Dagenhart, D. de Barbaro, P. De Cecco, S. Deisher, A. De Lentdecker, G. De Lorenzo, G. Dell'Orso, M. Paoli, F. Delli Demortier, L. Deng, J. Deninno, M. De Pedis, D. Derwent, P. F. Di Giovanni, G. P. Dionisi, C. Di Ruzza, B. Dittmann, J. R. D'Onofrio, M. Doerr, C. Donati, S. Dong, P. Donini, J. Dorigo, T. Dube, S. Efron, J. Erbacher, R. Errede, D. Errede, S. Eusebi, R. Fang, H. C. Farrington, S. Fedorko, I. Fedorko, W. T. Feild, R. G. Feindt, M. Fernandez, J. P. Field, R. Flanagan, G. Forrest, R. Forrester, S. Franklin, M. Freeman, J. C. Furic, I. Gallinaro, M. Galyardt, J. Garcia, J. E. Garberson, F. Garfinkel, A. F. Gay, C. Gerberich, H. Gerdes, D. Giagu, S. Giannetti, P. Gibson, K. Gimmell, J. L. Ginsburg, C. Giokaris, N. Giordani, M. Giromini, P. Giunta, M. Giurgiu, G. Glagolev, V. Glenzinski, D. Gold, M. Goldschmidt, N. Goldstein, J. Golossanov, A. Gomez, G. Gomez-Ceballos, G. Goncharov, M. Gonzalez, O. Gorelov, I. Goshaw, A. T. Goulianos, K. Gresele, A. Grinstein, S. Grosso-Pilcher, C. Group, R. C. Grundler, U. da Costa, J. Guimaraes Gunay-Unalan, Z. Haber, C. Hahn, K. Hahn, S. R. Halkiadakis, E. Hamilton, A. Han, B.-Y. Han, J. Y. Handler, R. Happacher, F. Hara, K. Hare, D. Hare, M. Harper, S. Harr, R. F. Harris, R. M. Hartz, M. Hatakeyama, K. Hauser, J. Hays, C. Heck, M. Heijboer, A. Heinemann, B. Heinrich, J. Henderson, C. Herndon, M. Hidas, D. Hill, C. S. Hirschbuehl, D. Hocker, A. Holloway, A. Hou, S. Houlden, M. Hsu, S.-C. Huffman, B. T. Hughes, R. E. Husemann, U. Huston, J. Incandela, J. Introzzi, G. Iori, M. Ivanov, A. Iyutin, B. James, E. Jang, D. Jayatilaka, B. Jeans, D. Jeon, E. J. Jindariani, S. Johnson, W. Jones, M. Joo, K. K. Jun, S. Y. Jung, J. E. Junk, T. R. Kamon, T. Karchin, P. E. Kato, Y. Kemp, Y. Kephart, R. Kerzel, U. Khotilovich, V. Kilminster, B. Kim, D. H. Kim, H. S. Kim, J. E. Kim, M. J. Kim, S. B. Kim, S. H. Kim, Y. K. Kimura, N. Kirsch, L. Klimenko, S. Klute, M. Knuteson, B. Ko, B. R. Kondo, K. Kong, D. J. Konigsberg, J. Korytov, A. Kotwal, A. V. Kraan, A. C. Kraus, J. Kreps, M. Kroll, J. Krumnack, N. Kruse, M. Krutelyov, V. Kubo, T. Kuhlmann, S. E. Kuhr, T. Kulkarni, N. P. Kusakabe, Y. Kwang, S. Laasanen, A. T. Lai, S. Lami, S. Lammel, S. Lancaster, M. Lander, R. L. Lannon, K. Lath, A. Latino, G. Lazzizzera, I. LeCompte, T. Lee, J. Lee, J. Lee, Y. J. Lee, S. W. Lefevre, R. Leonardo, N. Leone, S. Levy, S. Lewis, J. D. Lin, C. Lin, C. S. Lindgren, M. Lipeles, E. Liss, T. M. Lister, A. Litvintsev, D. O. Liu, T. Lockyer, N. S. Loginov, A. Loreti, M. Lu, R.-S. Lucchesi, D. Lujan, P. Lukens, P. Lungu, G. Lyons, L. Lys, J. Lysak, R. Lytken, E. Mack, P. MacQueen, D. Madrak, R. Maeshima, K. Makhoul, K. Maki, T. Maksimovic, P. Malde, S. Malik, S. Manca, G. Manousakis, A. Margaroli, F. Marginean, R. Marino, C. Marino, C. P. Martin, A. Martin, M. Martin, V. Martinez, M. Martinez-Ballarin, R. Maruyama, T. Mastrandrea, P. Masubuchi, T. Matsunaga, H. Mattson, M. E. Mazini, R. Mazzanti, P. McFarland, K. S. McIntyre, P. McNulty, R. Mehta, A. Mehtala, P. Menzemer, S. Menzione, A. Merkel, P. Mesropian, C. Messina, A. Miao, T. Miladinovic, N. Miles, J. Miller, R. Mills, C. Milnik, M. Mitra, A. Mitselmakher, G. Miyamoto, A. Moed, S. Moggi, N. Mohr, B. Moon, C. S. Moore, R. Morello, M. Fernandez, P. Movilla Muelmenstaedt, J. Mukherjee, A. Muller, Th. Mumford, R. Murat, P. Mussini, M. Nachtman, J. Nagano, A. Naganoma, J. Nakamura, K. Nakano, I. Napier, A. Necula, V. Neu, C. Neubauer, M. S. Nielsen, J. Nodulman, L. Norniella, O. Nurse, E. Oh, S. H. Oh, Y. D. Oksuzian, I. Okusawa, T. Oldeman, R. Orava, R. Osterberg, K. Pagliarone, C. Palencia, E. Papadimitriou, V. Papaikonomou, A. Paramonov, A. A. Parks, B. Pashapour, S. Patrick, J. Pauletta, G. Paulini, M. Paus, C. Pellett, D. E. Penzo, A. Phillips, T. J. Piacentino, G. Piedra, J. Pinera, L. Pitts, K. Plager, C. Pondrom, L. Portell, X. Poukhov, O. Pounder, N. Prakoshyn, F. Pronko, A. Proudfoot, J. Ptohos, F. Punzi, G. Pursley, J. Rademacker, J. Rahaman, A. Ramakrishnan, V. Ranjan, N. Redondo, I. Reisert, B. Rekovic, V. Renton, P. Rescigno, M. Richter, S. Rimondi, F. Ristori, L. Robson, A. Rodrigo, T. Rogers, E. Rolli, S. Roser, R. Rossi, M. Rossin, R. Roy, P. Ruiz, A. Russ, J. Rusu, V. Saarikko, H. Safonov, A. Sakumoto, W. K. Salamanna, G. Salto, O. Santi, L. Sarkar, S. Sartori, L. Sato, K. Savard, P. Savoy-Navarro, A. Scheidle, T. Schlabach, P. Schmidt, E. E. Schmidt, M. P. Schmitt, M. Schwarz, T. Scodellaro, L. Scott, A. L. Scribano, A. Scuri, F. Sedov, A. Seidel, S. Seiya, Y. Semenov, A. Sexton-Kennedy, L. Sfyrla, A. Shalhout, S. Z. Shapiro, M. D. Shears, T. Shepard, P. F. Sherman, D. Shimojima, M. Shochet, M. Shon, Y. Shreyber, I. Sidoti, A. Sinervo, P. Sisakyan, A. Slaughter, A. J. Slaunwhite, J. Sliwa, K. Smith, J. R. Snider, F. D. Snihur, R. Soderberg, M. Soha, A. Somalwar, S. Sorin, V. Spalding, J. Spinella, F. Spreitzer, T. Squillacioti, P. Stanitzki, M. Staveris-Polykalas, A. Denis, R. St. Stelzer, B. Stelzer-Chilton, O. Stentz, D. Strologas, J. Stuart, D. Suh, J. S. Sukhanov, A. Sun, H. Suslov, I. Suzuki, T. Taffard, A. Takashima, R. Takeuchi, Y. Tanaka, R. Tecchio, M. Teng, P. K. Terashi, K. Thom, J. Thompson, A. S. Thomson, E. Tipton, P. Tiwari, V. Tkaczyk, S. Toback, D. Tokar, S. Tollefson, K. Tomura, T. Tonelli, D. Torre, S. Torretta, D. Tourneur, S. Trischuk, W. Tsuno, S. Tu, Y. Turini, N. Ukegawa, F. Uozumi, S. Vallecorsa, S. van Remortel, N. Varganov, A. Vataga, E. Vazquez, F. Velev, G. Vellidis, C. Veramendi, G. Veszpremi, V. Vidal, M. Vidal, R. Vila, I. Vilar, R. Vine, T. Vogel, M. Vollrath, I. Volobouev, I. Volpi, G. Wuerthwein, F. Wagner, P. Wagner, R. G. Wagner, R. L. Wagner, J. Wagner, W. Wallny, R. Wang, S. M. Warburton, A. Waters, D. Weinberger, M. Wester, W. C., III Whitehouse, B. Whiteson, D. Wicklund, A. B. Wicklund, E. Williams, G. Williams, H. H. Wilson, P. Winer, B. L. Wittich, P. Wolbers, S. Wolfe, C. Wright, T. Wu, X. Wynne, S. M. Yagil, A. Yamamoto, K. Yamaoka, J. Yamashita, T. Yang, C. Yang, U. K. Yang, Y. C. Yao, W. M. Yeh, G. P. Yoh, J. Yorita, K. Yoshida, T. Yu, G. B. Yu, I. Yu, S. S. Yun, J. C. Zanello, L. Zanetti, A. Zaw, I. Zhang, X. CA CDF Collaboration TI First measurement of the W-boson mass in run II of the Tevatron SO PHYSICAL REVIEW LETTERS LA English DT Article ID WIDTH; DETECTOR; LEP AB We present a measurement of the W-boson mass using 200 pb(-1) of data collected in p (p) over bar collisions at root s=1.96 TeV by the CDF II detector at run II of the Fermilab Tevatron. With a sample of 63 964 W -> e nu candidates and 51 128 W ->mu nu candidates, we measure M(W)=80413 +/- 34(stat) +/- 34 (syst) = 80 413 +/- 48 MeV/c(2). This is the most precise single measurement of the W-boson mass to date. C1 Acad Sinica, Inst Phys, Taipei 11529, Taiwan. Argonne Natl Lab, Argonne, IL 60439 USA. Univ Autonoma Barcelona, Inst Fis Altes Energies, E-08193 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 Cantabria, E-39005 Santander, Spain. Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. Comenius Univ, Bratislava 84248, Slovakia. Slovak Acad Sci, Inst Expt Phys, Kosice 04001, Slovakia. 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. Univ Illinois, Urbana, IL 61801 USA. Johns Hopkins Univ, Baltimore, MD 21218 USA. Univ Karlsruhe, Inst Expt Kernphys, D-76128 Karlsruhe, Germany. KEK, Tsukuba, Ibaraki 305, Japan. Kyungpook Natl Univ, Ctr High Energy Phys, Taegu 702701, South Korea. Seoul Natl Univ, Seoul 151742, South Korea. Sungkyunkwan Univ, Suwon 440746, South Korea. Ernest Orlando Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Univ Liverpool, Liverpool L69 7ZE, Merseyside, England. UCL, London WC1E 6BT, England. Ctr Invest Energet Medioambientales & Tecnol, E-28040 Madrid, Spain. MIT, Cambridge, MA 02139 USA. 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. 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 588, Japan. Univ Oxford, Oxford OX1 3RH, England. Univ Padua, Ist Nazl Fis Nucl, Sez Padova Trento, I-35131 Padua, Italy. Univ Paris 06, CNRS, UMR7585, LPNHE,IN2P3, F-75252 Paris, France. 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, Udine, 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 Aaltonen, T (reprint author), Acad Sinica, Inst Phys, Taipei 11529, Taiwan. RI Grinstein, Sebastian/N-3988-2014; Gorelov, Igor/J-9010-2015; Prokoshin, Fedor/E-2795-2012; Leonardo, Nuno/M-6940-2016; Canelli, Florencia/O-9693-2016; Chiarelli, Giorgio/E-8953-2012; Moon, Chang-Seong/J-3619-2014; Scodellaro, Luca/K-9091-2014; Paulini, Manfred/N-7794-2014; Russ, James/P-3092-2014; Lazzizzera, Ignazio/E-9678-2015; vilar, rocio/P-8480-2014; Cabrera Urban, Susana/H-1376-2015; Garcia, Jose /H-6339-2015; ciocci, maria agnese /I-2153-2015; Cavalli-Sforza, Matteo/H-7102-2015; Muelmenstaedt, Johannes/K-2432-2015; Introzzi, Gianluca/K-2497-2015; Ruiz, Alberto/E-4473-2011; Robson, Aidan/G-1087-2011; De Cecco, Sandro/B-1016-2012; 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; Warburton, Andreas/N-8028-2013; Kim, Soo-Bong/B-7061-2014; Lysak, Roman/H-2995-2014 OI Hays, Chris/0000-0003-2371-9723; 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; Osterberg, Kenneth/0000-0003-4807-0414; Goldstein, Joel/0000-0003-1591-6014; Casarsa, Massimo/0000-0002-1353-8964; Vidal Marono, Miguel/0000-0002-2590-5987; Margaroli, Fabrizio/0000-0002-3869-0153; Latino, Giuseppe/0000-0002-4098-3502; Group, Robert/0000-0002-4097-5254; iori, maurizio/0000-0002-6349-0380; Grinstein, Sebastian/0000-0002-6460-8694; Lancaster, Mark/0000-0002-8872-7292; Nielsen, Jason/0000-0002-9175-4419; Jun, Soon Yung/0000-0003-3370-6109; Toback, David/0000-0003-3457-4144; Gorelov, Igor/0000-0001-5570-0133; Prokoshin, Fedor/0000-0001-6389-5399; Leonardo, Nuno/0000-0002-9746-4594; Canelli, Florencia/0000-0001-6361-2117; Lami, Stefano/0000-0001-9492-0147; Chiarelli, Giorgio/0000-0001-9851-4816; Giordani, Mario/0000-0002-0792-6039; Moon, Chang-Seong/0000-0001-8229-7829; Scodellaro, Luca/0000-0002-4974-8330; Paulini, Manfred/0000-0002-6714-5787; Russ, James/0000-0001-9856-9155; Lazzizzera, Ignazio/0000-0001-5092-7531; ciocci, maria agnese /0000-0003-0002-5462; Muelmenstaedt, Johannes/0000-0003-1105-6678; Introzzi, Gianluca/0000-0002-1314-2580; 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; Warburton, Andreas/0000-0002-2298-7315; NR 28 TC 32 Z9 32 U1 1 U2 10 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 12 PY 2007 VL 99 IS 15 AR 151801 DI 10.1103/PhysRevLett.99.151801 PG 7 WC Physics, Multidisciplinary SC Physics GA 220EV UT WOS:000250140600014 PM 17995156 ER PT J AU Begtrup, GE Ray, KG Kessler, BM Yuzvinsky, TD Garcia, H Zettl, A AF Begtrup, G. E. Ray, K. G. Kessler, B. M. Yuzvinsky, T. D. Garcia, H. Zettl, Alex TI Probing nanoscale solids at thermal extremes SO PHYSICAL REVIEW LETTERS LA English DT Article ID CARBON NANOTUBES; CONDUCTIVITY; TEMPERATURE; DEPENDENCE AB We report a novel nanoscale thermal platform compatible with extreme temperature operation and real-time high-resolution transmission electron microscopy. Applied to multiwall carbon nanotubes, we find atomic-scale stability to 3200 K, demonstrating that carbon nanotubes are more robust than graphite or diamond. Even at these thermal extremes, nanotubes maintain 10% of their peak thermal conductivity and support electrical current densities similar to 2x10(8) A/cm(2). We also apply this platform to determine the diameter dependence of the melting temperature of gold nanocrystals down to three nanometers. C1 Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Ctr Integrated Nanomech Syst, Berkeley, CA 94720 USA. RP Begtrup, GE (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RI Kessler, Brian/A-2908-2008; Ray, Keith/K-1102-2012; Ray, Keith/K-5598-2013; Zettl, Alex/O-4925-2016; OI Ray, Keith/0000-0002-6241-7472; Zettl, Alex/0000-0001-6330-136X; Yuzvinsky, Thomas/0000-0001-5708-2877 NR 18 TC 61 Z9 61 U1 3 U2 12 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 OCT 12 PY 2007 VL 99 IS 15 AR 155901 DI 10.1103/PhysRevLett.99.155901 PG 4 WC Physics, Multidisciplinary SC Physics GA 220EV UT WOS:000250140600043 PM 17995185 ER PT J AU Belkin, M Snezhko, A Aranson, IS Kwok, WK AF Belkin, M. Snezhko, A. Aranson, I. S. Kwok, W.-K. TI Driven magnetic particles on a fluid surface: Pattern assisted surface flows SO PHYSICAL REVIEW LETTERS LA English DT Article ID FARADAY INSTABILITY; CONVECTION AB Magnetic microparticles suspended on the liquid-air interface and subjected to an alternating magnetic field exhibit spontaneous formation of dynamic localized snake patterns. These patterns are accompanied by four large-scale hydrodynamic vortices located at the opposite ends of the snake patterns. We report detailed studies of these large-scale vortices and their relationship to the collective response of magnetic particles in the presence of an alternating magnetic field. We present a model based on the amplitude equation for surface waves coupled to the large-scale hydrodynamic mean flow equation. The model describes both the formation of the dynamic snake patterns and the induced structure of the experimentally observed hydrodynamic flows. C1 IIT, Chicago, IL 60616 USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Belkin, M (reprint author), IIT, 3101 S Dearborn St, Chicago, IL 60616 USA. RI Aranson, Igor/I-4060-2013 NR 18 TC 30 Z9 30 U1 1 U2 13 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 12 PY 2007 VL 99 IS 15 AR 158301 DI 10.1103/PhysRevLett.99.158301 PG 4 WC Physics, Multidisciplinary SC Physics GA 220EV UT WOS:000250140600077 PM 17995219 ER PT J AU Chen, SY Gong, XG Wei, SH AF Chen, Shiyou Gong, X. G. Wei, Su-Huai TI Chen, Gong, and Wei reply SO PHYSICAL REVIEW LETTERS LA English DT Editorial Material ID BC2N C1 Fudan Univ, Dept Phys, Natl Key Surface Sci Lab, Shanghai 200433, Peoples R China. Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Chen, SY (reprint author), Fudan Univ, Dept Phys, Natl Key Surface Sci Lab, Shanghai 200433, Peoples R China. RI gong, xingao /B-1337-2010; gong, xingao/D-6532-2011 NR 9 TC 6 Z9 6 U1 0 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 12 PY 2007 VL 99 IS 15 AR 159602 DI 10.1103/PhysRevLett.99.159602 PG 1 WC Physics, Multidisciplinary SC Physics GA 220EV UT WOS:000250140600080 ER PT J AU Divol, L AF Divol, Laurent TI Controlling stimulated brillouin backscatter with beam smoothing in weakly damped systems SO PHYSICAL REVIEW LETTERS LA English DT Article ID LASER-BEAMS; SCATTERING; RAMAN; INSTABILITY; PLASMAS; ENERGETICS; LIGHT AB We derive an analytical estimate of the effect of temporal smoothing of laser beams on stimulated Brillouin scattering (SBS) in a regime relevant to indirect drive ignition. We predict a strong reduction of SBS in the gold plasma expanding from the Hohlraum wall with temporal smoothing. This is a new regime far above threshold where the time to reach convective saturation allows for an effective contrast reduction of the beam intensity driving the instability. This result agrees with three dimensional simulations. Polarization smoothing is shown to double the effective bandwidth. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Divol, L (reprint author), Lawrence Livermore Natl Lab, L-399,POB 808, Livermore, CA 94551 USA. NR 16 TC 4 Z9 4 U1 0 U2 4 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 12 PY 2007 VL 99 IS 15 AR 155003 DI 10.1103/PhysRevLett.99.155003 PG 4 WC Physics, Multidisciplinary SC Physics GA 220EV UT WOS:000250140600034 PM 17995176 ER PT J AU Huang, H Ahrens, LA Bai, M Brown, K Courant, ED Gardner, C Glenn, JW Lin, F Luccio, AU MacKay, WW Okamura, M Ptitsyn, V Roser, T Takano, J Tepikian, S Tsoupas, N Zelenski, A Zeno, K AF Huang, H. Ahrens, L. A. Bai, M. Brown, K. Courant, E. D. Gardner, C. Glenn, J. W. Lin, F. Luccio, A. U. MacKay, W. W. Okamura, M. Ptitsyn, V. Roser, T. Takano, J. Tepikian, S. Tsoupas, N. Zelenski, A. Zeno, K. TI Overcoming depolarizing resonances with dual helical partial siberian snakes SO PHYSICAL REVIEW LETTERS LA English DT Article AB Acceleration of polarized protons in the energy range of 5 to 25 GeV is challenging. In a medium energy accelerator, the depolarizing spin resonances are strong enough to cause significant polarization loss but full Siberian snakes cause intolerably large orbit excursions and are also not feasible since straight sections usually are too short. Recently, two helical partial Siberian snakes with double pitch design have been installed in the Brookhaven Alternating Gradient Synchrotron (AGS). With a careful setup of optics at injection and along the energy ramp, this combination can eliminate the intrinsic and imperfection depolarizing resonances otherwise encountered during acceleration to maintain a high intensity polarized beam in medium energy synchrotrons. The observation of partial snake resonances of higher than second order will also be described. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. Indiana Univ, Bloomington, IN 47405 USA. RIKEN, Wako, Saitama 3150198, Japan. RP Huang, H (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. NR 13 TC 9 Z9 9 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 12 PY 2007 VL 99 IS 15 AR 154801 DI 10.1103/PhysRevLett.99.154801 PG 4 WC Physics, Multidisciplinary SC Physics GA 220EV UT WOS:000250140600031 PM 17995173 ER PT J AU Jahnke, T Czasch, A Schoffler, M Schossler, S Kasz, M Titze, J Kreidi, K Grisenti, RE Staudte, A Jagutzki, O Schmidt, LPH Weber, T Schmidt-Bocking, H Ueda, K Dorner, R AF Jahnke, T. Czasch, A. Schoeffler, M. Schoessler, S. Kaesz, M. Titze, J. Kreidi, K. Grisenti, R. E. Staudte, A. Jagutzki, O. Schmidt, L. Ph. H. Weber, Th. Schmidt-Boecking, H. Ueda, K. Doerner, R. TI Experimental separation of virtual photon exchange and electron transfer in interatomic coulombic decay of neon dimers SO PHYSICAL REVIEW LETTERS LA English DT Article ID CORRELATION SATELLITES; FRAGMENTATION; CLUSTERS; DISTRIBUTIONS; SPECTROSCOPY; RESOLUTION; SINGLE AB We investigate the interatomic Coulombic decay (ICD) of neon dimers following photoionization with simultaneous excitation of the ionized atom (shakeup) in a multiparticle coincidence experiment. We find that, depending on the parity of the excited state, which determines whether ICD takes place via virtual dipole photon emission or overlap of the wave functions, the decay happens at different internuclear distances, illustrating that nuclear dynamics heavily influence the electronic decay in the neon dimer. C1 Univ Frankfurt, Inst Kernphys, D-60438 Frankfurt, Germany. Natl Res Council Canada, Steacie Inst Mol Sci, Ottawa, ON, Canada. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Tohoku Univ, Inst Multidisciplinary Res Adv Mat, Sendai, Miyagi 9808577, Japan. DESY, D-22607 Hamburg, Germany. RP Jahnke, T (reprint author), Univ Frankfurt, Inst Kernphys, Max Von Laue Str 1, D-60438 Frankfurt, Germany. EM jahnke@atom.uni-frankfurt.de RI Schoeffler, Markus/B-6261-2008; Doerner, Reinhard/A-5340-2008; Weber, Thorsten/K-2586-2013; OI Schoeffler, Markus/0000-0001-9214-6848; Doerner, Reinhard/0000-0002-3728-4268; Weber, Thorsten/0000-0003-3756-2704; Staudte, Andre/0000-0002-8284-3831 NR 23 TC 51 Z9 51 U1 0 U2 6 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 12 PY 2007 VL 99 IS 15 AR 153401 DI 10.1103/PhysRevLett.99.153401 PG 4 WC Physics, Multidisciplinary SC Physics GA 220EV UT WOS:000250140600020 PM 17995162 ER PT J AU Kanigel, A Chatterjee, U Randeria, M Norman, MR Souma, S Shi, M Li, ZZ Raffy, H Campuzano, JC AF Kanigel, A. Chatterjee, U. Randeria, M. Norman, M. R. Souma, S. Shi, M. Li, Z. Z. Raffy, H. Campuzano, J. C. TI Protected nodes and the collapse of Fermi arcs in High-T-c cuprate superconductors SO PHYSICAL REVIEW LETTERS LA English DT Article ID SUPERFLUID DENSITY; DEPENDENCE; PSEUDOGAP; STATE; GAP AB Angle resolved photoemission on underdoped Bi2Sr2CaCu2O8 reveals that the magnitude and d-wave anisotropy of the superconducting state energy gap are independent of temperature all the way up to T-c. This lack of T variation of the entire k-dependent gap is in marked contrast to mean field theory. At T-c the point nodes of the d-wave gap abruptly expand into finite length "Fermi arcs." This change occurs within the width of the resistive transition, and thus the Fermi arcs are not simply thermally broadened nodes but rather a unique signature of the pseudogap phase. C1 Univ Illinois, Dept Phys, Chicago, IL 60607 USA. Ohio State Univ, Dept Phys, Columbus, OH 43210 USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Paul Scherrer Inst, Swiss Light Source, CH-5232 Villigen, Switzerland. Univ Paris 11, Phys Solides Lab, F-91405 Orsay, France. RP Kanigel, A (reprint author), Univ Illinois, Dept Phys, Chicago, IL 60607 USA. RI souma, seigo/A-4858-2010; Norman, Michael/C-3644-2013 NR 21 TC 98 Z9 98 U1 4 U2 14 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 OCT 12 PY 2007 VL 99 IS 15 AR 157001 DI 10.1103/PhysRevLett.99.157001 PG 4 WC Physics, Multidisciplinary SC Physics GA 220EV UT WOS:000250140600062 PM 17995204 ER PT J AU Lee, YR Gray, A Tischler, J Czoschke, P Hong, H Chang, SL Chiang, TC AF Lee, Y.-R. Gray, A. Tischler, J. Czoschke, P. Hong, H. Chang, S.-L. Chiang, T.-C. TI Quantum oscillations and beats in x-ray diffraction during film growth SO PHYSICAL REVIEW LETTERS LA English DT Article ID SCATTERING AB X-ray diffraction from a growing film at an anti-Bragg point should exhibit bilayer oscillations caused by interference. In an experiment of TiN film growth by laser ablation onto sapphire, an unexpected beating envelope function is found to modulate the oscillations. The successive nodes and antinodes are identified with the development of new growth domains separated by one atomic layer in thickness. This effect allows atomic layer counting of the film thickness distribution. The results imply that the growth is not characterized by a continuum stochastic process, as usually assumed. C1 Univ Illinois, Dept Phys, Urbana, IL 61801 USA. Univ Illinois, Frederick Seitz Mat Res Lab, Urbana, IL 61801 USA. Natl Tsing Hua Univ, Hsinchu 30013, Taiwan. Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. Seagate Technol, Bloomington, MN 55435 USA. RP Chiang, TC (reprint author), Univ Illinois, Dept Phys, 1110 W Green St, Urbana, IL 61801 USA. EM Chiang@mrl.uiuc.edu RI Chiang, Tai/H-5528-2011 NR 18 TC 0 Z9 0 U1 1 U2 5 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 12 PY 2007 VL 99 IS 15 AR 156103 DI 10.1103/PhysRevLett.99.156103 PG 4 WC Physics, Multidisciplinary SC Physics GA 220EV UT WOS:000250140600049 PM 17995191 ER PT J AU Majumder, A Wang, E Wang, XN AF Majumder, A. Wang, Enke Wang, Xin-Nian TI Modified dihadron fragmentation functions in hot and nuclear matter SO PHYSICAL REVIEW LETTERS LA English DT Article ID MULTIPLE PARTON SCATTERING; ENERGY-LOSS AB Medium modification of dihadron fragmentation functions due to gluon bremsstrahlung induced by multiple partonic scattering is studied in both deep-inelastic scattering (DIS) off large nuclei and high-energy heavy-ion collisions within the same framework of twist expansion. The modification for dihadrons is found to closely follow that for single hadrons, leading to a weak nuclear suppression of their ratios in DIS experiments. A mild enhancement of the near-side correlation of two high transverse momentum hadrons with increasing centrality is found in heavy-ion collisions due to trigger bias and the rise in parton energy loss with centrality. Successful comparisons between theory and experiment for multihadron observables in both confining and deconfined media offer comprehensive evidence for partonic energy loss as the mechanism of jet modification in dense matter. C1 Duke Univ, Dept Phys, Durham, NC 27708 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Nucl Sci, Berkeley, CA 94720 USA. Huazhong Normal Univ, Inst Particle Phys, Wuhan 430079, Peoples R China. RP Majumder, A (reprint author), Duke Univ, Dept Phys, Durham, NC 27708 USA. OI Wang, Xin-Nian/0000-0002-9734-9967 NR 27 TC 45 Z9 45 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 12 PY 2007 VL 99 IS 15 AR 152301 DI 10.1103/PhysRevLett.99.152301 PG 4 WC Physics, Multidisciplinary SC Physics GA 220EV UT WOS:000250140600017 ER PT J AU Mirlin, AD Polyakov, DG Vinokur, VM AF Mirlin, A. D. Polyakov, D. G. Vinokur, V. M. TI Transport of charge-density waves in the presence of disorder: Classical pinning versus quantum localization SO PHYSICAL REVIEW LETTERS LA English DT Article ID SUPERCONDUCTORS; STATES AB We consider the interplay of the elastic pinning and the Anderson localization in the transport properties of a charge-density wave in one dimension, within the framework of the Luttinger model in the limit of strong repulsion. We address a conceptually important issue of which of the two disorder-induced phenomena limits the mobility more effectively. We argue that the interplay of the classical and quantum effects in transport of a very rigid charge-density wave is quite nontrivial: the quantum localization sets in at a temperature much smaller than the pinning temperature, whereas the quantum localization length is much smaller than the pinning length. C1 Forschungszentrum Karlsruhe, Inst Nanotechnol, D-76021 Karlsruhe, Germany. Univ Karlsruhe, Inst Theor Kondensierten Mat, D-76128 Karlsruhe, Germany. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Petersburg Nucl Phys Inst, St Petersburg 188300, Russia. AF Ioffe Phys Tech Inst, St Petersburg 194021, Russia. RP Mirlin, AD (reprint author), Forschungszentrum Karlsruhe, Inst Nanotechnol, D-76021 Karlsruhe, Germany. NR 24 TC 5 Z9 5 U1 1 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 12 PY 2007 VL 99 IS 15 AR 156405 DI 10.1103/PhysRevLett.99.156405 PG 4 WC Physics, Multidisciplinary SC Physics GA 220EV UT WOS:000250140600054 PM 17995196 ER PT J AU Richard, P Neupane, M Xu, YM Fournier, P Li, S Dai, PC Wang, Z Ding, H AF Richard, P. Neupane, M. Xu, Y.-M. Fournier, P. Li, S. Dai, Pengcheng Wang, Z. Ding, H. TI Competition between antiferromagnetism and superconductivity in the electron-doped cuprates triggered by oxygen reduction SO PHYSICAL REVIEW LETTERS LA English DT Article ID INSULATOR TRANSITION; RESISTANCE AB We have performed a systematic angle-resolved photoemission study of as-grown and oxygen-reduced Pr2-xCexCuO4 and Pr1-xLaCexCuO4 electron-doped cuprates. In contrast with the common belief, neither the band filling nor the band parameters are significantly affected by the oxygen reduction process. Instead, we show that the main electronic role of the reduction process is to remove an anisotropic leading edge gap around the Fermi surface. While the nodal leading edge gap is induced by long-range antiferomagnetic order, the origin of the antinodal one remains unclear. C1 Boston Coll, Dept Phys, Chestnut Hill, MA 02467 USA. Univ Sherbrooke, Dept Phys, Sherbrooke, PQ J1K 2R1, Canada. Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. RP Richard, P (reprint author), Boston Coll, Dept Phys, Chestnut Hill, MA 02467 USA. EM richarpi@bc.edu RI Li, Shiliang/B-9379-2009; Richard, Pierre/F-7652-2010; Dai, Pengcheng /C-9171-2012; Xu, Yiming/B-3966-2011 OI Richard, Pierre/0000-0003-0544-4551; Dai, Pengcheng /0000-0002-6088-3170; NR 21 TC 18 Z9 18 U1 1 U2 10 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 12 PY 2007 VL 99 IS 15 AR 157002 DI 10.1103/PhysRevLett.99.157002 PG 4 WC Physics, Multidisciplinary SC Physics GA 220EV UT WOS:000250140600063 PM 17995205 ER PT J AU Ye, F Fernandez-Baca, JA Fishman, RS Ren, Y Kang, HJ Qiu, Y Kimura, T AF Ye, F. Fernandez-Baca, J. A. Fishman, R. S. Ren, Y. Kang, H. J. Qiu, Y. Kimura, T. TI Magnetic interactions in the geometrically frustrated triangular lattice antiferromagnet CuFeO2 SO PHYSICAL REVIEW LETTERS LA English DT Article ID PHASE; FIELD; POLARIZATION AB The spin-wave excitations of the geometrically frustrated triangular lattice antiferromagnet CuFeO2 have been measured using high resolution inelastic neutron scattering. Antiferromagnetic interactions up to third nearest neighbors in the ab plane (J(1), J(2), J(3), with J(2)/J(1)approximate to 0.44 and J(3)/J(1)approximate to 0.57), as well as out-of-plane coupling (J(z), with J(z)/J(1)approximate to 0.29) are required to describe the spin-wave dispersion relations, indicating a three-dimensional character of the magnetic interactions. Two energy dips in the spin-wave dispersion occur at the incommensurate wave vectors associated with multiferroic phase and can be interpreted as dynamic precursors to the magnetoelectric behavior in this system. C1 Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. Argonne Natl Lab, Expt Facil Div, Argonne, IL 60439 USA. Natl Inst Stand & Technol, NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. Univ Maryland, Dept Mat Sci & Engn, College Pk, MD 20742 USA. Osaka Univ, Grad Sch Engn Sci, Div Mat Phys, Osaka 5608531, Japan. RP Ye, F (reprint author), Oak Ridge Natl Lab, Neutron Scattering Sci Div, Oak Ridge, TN 37831 USA. RI Ye, Feng/B-3210-2010; Fishman, Randy/C-8639-2013; Fernandez-Baca, Jaime/C-3984-2014 OI Ye, Feng/0000-0001-7477-4648; Fernandez-Baca, Jaime/0000-0001-9080-5096 NR 20 TC 56 Z9 57 U1 7 U2 28 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 12 PY 2007 VL 99 IS 15 AR 157201 DI 10.1103/PhysRevLett.99.157201 PG 4 WC Physics, Multidisciplinary SC Physics GA 220EV UT WOS:000250140600064 PM 17995206 ER PT J AU Zhou, JS Goodenough, JB Yan, JQ Ren, Y AF Zhou, J.-S. Goodenough, J. B. Yan, J.-Q. Ren, Y. TI Superexchange interaction in orbitally fluctuating RVO3 SO PHYSICAL REVIEW LETTERS LA English DT Article ID EXCHANGE INTERACTION; MAGNETIC TRANSITION AB Changes in pressure and magnetic field in the orbital and magnetic ordering temperatures of RVO3 perovskites are reported; they reveal a competition between two magnetic orbitally ordered phases that have opposite preferences for the e-orbital component in the localized T-3(1g) ground state of the V3+ ion. This competition is shown to be biased by the VO6/2 site distortion intrinsic to the orthorhombic structure. A remarkable enhancement of T-N with pressure is found where the competition leads to enhanced orbital critical fluctuations. C1 Univ Texas, Texas Mat Inst, Austin, TX 78712 USA. Iowa State Univ Sci & Technol, Ames Lab, Ames, IA 50011 USA. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Zhou, JS (reprint author), Univ Texas, Texas Mat Inst, Austin, TX 78712 USA. OI Goodenough, John Bannister/0000-0001-9350-3034 NR 19 TC 42 Z9 42 U1 1 U2 12 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 12 PY 2007 VL 99 IS 15 AR 156401 DI 10.1103/PhysRevLett.99.156401 PG 4 WC Physics, Multidisciplinary SC Physics GA 220EV UT WOS:000250140600050 PM 17995192 ER PT J AU Merchant, SS Prochnik, SE Vallon, O Harris, EH Karpowicz, SJ Witman, GB Terry, A Salamov, A Fritz-Laylin, LK Marechal-Drouard, L Marshall, WF Qu, LH Nelson, DR Sanderfoot, AA Spalding, MH Kapitonov, VV Ren, QH Ferris, P Lindquist, E Shapiro, H Lucas, SM Grimwood, J Schmutz, J Cardol, P Cerutti, H Chanfreau, G Chen, CL Cognat, V Croft, MT Dent, R Dutcher, S Fernandez, E Fukuzawa, H Gonzalez-Ballester, D Gonzalez-Halphen, D Hallmann, A Hanikenne, M Hippler, M Inwood, W Jabbari, K Kalanon, M Kuras, R Lefebvre, PA Lemaire, SD Lobanov, AV Lohr, M Manuell, A Meir, I Mets, L Mittag, M Mittelmeier, T Moroney, JV Moseley, J Napoli, C Nedelcu, AM Niyogi, K Novoselov, SV Paulsen, IT Pazour, G Purton, S Ral, JP Riano-Pachon, DM Riekhof, W Rymarquis, L Schroda, M Stern, D Umen, J Willows, R Wilson, N Zimmer, SL Allmer, J Balk, J Bisova, K Chen, CJ Elias, M Gendler, K Hauser, C Lamb, MR Ledford, H Long, JC Minagawa, J Page, MD Pan, JM Pootakham, W Roje, S Rose, A Stahlberg, E Terauchi, AM Yang, PF Ball, S Bowler, C Dieckmann, CL Gladyshev, VN Green, P Jorgensen, R Mayfield, S Mueller-Roeber, B Rajamani, S Sayre, RT Brokstein, P Dubchak, I Goodstein, D Hornick, L Huang, YW Jhaveri, J Luo, YG Martinez, D Ngau, WCA Otillar, B Poliakov, A Porter, A Szajkowski, L Werner, G Zhou, KM Grigoriev, IV Rokhsar, DS Grossman, AR AF Merchant, Sabeeha S. Prochnik, Simon E. Vallon, Olivier Harris, Elizabeth H. Karpowicz, Steven J. Witman, George B. Terry, Astrid Salamov, Asaf Fritz-Laylin, Lillian K. Marechal-Drouard, Laurence Marshall, Wallace F. Qu, Liang-Hu Nelson, David R. Sanderfoot, Anton A. Spalding, Martin H. Kapitonov, Vladimir V. Ren, Qinghu Ferris, Patrick Lindquist, Erika Shapiro, Harris Lucas, Susan M. Grimwood, Jane Schmutz, Jeremy Cardol, Pierre Cerutti, Heriberto Chanfreau, Guillaume Chen, Chun-Long Cognat, Valerie Croft, Martin T. Dent, Rachel Dutcher, Susan Fernandez, Emilio Fukuzawa, Hideya Gonzalez-Ballester, David Gonzalez-Halphen, Diego Hallmann, Armin Hanikenne, Marc Hippler, Michael Inwood, William Jabbari, Kamel Kalanon, Ming Kuras, Richard Lefebvre, Paul A. Lemaire, Stephane D. Lobanov, Alexey V. Lohr, Martin Manuell, Andrea Meier, Iris Mets, Laurens Mittag, Maria Mittelmeier, Telsa Moroney, James V. Moseley, Jeffrey Napoli, Carolyn Nedelcu, Aurora M. Niyogi, Krishna Novoselov, Sergey V. Paulsen, Ian T. Pazour, Greg Purton, Saul Ral, Jean-Philippe Riano-Pachon, Diego Mauricio Riekhof, Wayne Rymarquis, Linda Schroda, Michael Stern, David Umen, James Willows, Robert Wilson, Nedra Zimmer, Sara Lana Allmer, Jens Balk, Janneke Bisova, Katerina Chen, Chong-Jian Elias, Marek Gendler, Karla Hauser, Charles Lamb, Mary Rose Ledford, Heidi Long, Joanne C. Minagawa, Jun Page, M. Dudley Pan, Junmin Pootakham, Wirulda Roje, Sanja Rose, Annkatrin Stahlberg, Eric Terauchi, Aimee M. Yang, Pinfen Ball, Steven Bowler, Chris Dieckmann, Carol L. Gladyshev, Vadim N. Green, Pamela Jorgensen, Richard Mayfield, Stephen Mueller-Roeber, Bernd Rajamani, Sathish Sayre, Richard T. Brokstein, Peter Dubchak, Inna Goodstein, David Hornick, Leila Huang, Y. Wayne Jhaveri, Jinal Luo, Yigong Martinez, Diego Ngau, Wing Chi Abby Otillar, Bobby Poliakov, Alexander Porter, Aaron Szajkowski, Lukasz Werner, Gregory Zhou, Kemin Grigoriev, Igor V. Rokhsar, Daniel S. Grossman, Arthur R. CA Chlamydomonas Annotation JGI Annotation Team TI The Chlamydomonas genome reveals the evolution of key animal and plant functions SO SCIENCE LA English DT Article ID HEME-BINDING PROTEIN; PHOTOSYNTHETIC EUKARYOTES; INTRAFLAGELLAR TRANSPORT; PROTEOMIC ANALYSIS; FINE-STRUCTURE; HUMAN-DISEASE; REINHARDTII; FLAGELLAR; INSIGHTS; GENES AB Chlamydomonas reinhardtii is a unicellular green alga whose lineage diverged from land plants over 1 billion years ago. It is a model system for studying chloroplast-based photosynthesis, as well as the structure, assembly, and function of eukaryotic flagella (cilia), which were inherited from the common ancestor of plants and animals, but lost in land plants. We sequenced the similar to 120-megabase nuclear genome of Chlamydomonas and performed comparative phylogenomic analyses, identifying genes encoding uncharacterized proteins that are likely associated with the function and biogenesis of chloroplasts or eukaryotic flagella. Analyses of the Chlamydomonas genome advance our understanding of the ancestral eukaryotic cell, reveal previously unknown genes associated with photosynthetic and flagellar functions, and establish links between ciliopathy and the composition and function of flagella. C1 US DOE, Joint Genome Inst, Walnut Creek, CA 94598 USA. Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. Univ Paris 06, CNRS, Inst Biol Physicochim, F-75005 Paris, France. Duke Univ, Dept Biol, Durham, NC 27708 USA. Univ Massachusetts, Sch Med, Dept Cell Biol, Worcester, MA 01655 USA. Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. CNRS, Inst Biol Mol Plantes, F-67084 Strasbourg, France. Univ Calif San Francisco, Dept Biochem & Biophys, San Francisco, CA 94143 USA. Zhongshan Univ, Biotechnol Res Ctr, Guangzhou 510275, Peoples R China. Univ Tennessee, Dept Mol Sci, Memphis, TN 38163 USA. Univ Tennessee, Ctr Excellence Genom & Bioinformat, Memphis, TN 38163 USA. Univ Minnesota, Dept Plant Biol, St Paul, MN 55108 USA. Iowa State Univ, Dept Genet Dev & Cell Biol, Ames, IA 50011 USA. Genet Informat Res Inst, Mountain View, CA 94043 USA. Inst Genom Res, Rockville, MD 20850 USA. Salk Inst Biol Studies, Plant Biol Lab, La Jolla, CA 92037 USA. Stanford Univ, Sch Med, Stanford Human Genome Ctr, Palo Alto, CA 94304 USA. Univ Liege, Inst Plant Biol, Dept Life Sci, B-4000 Liege, Belgium. Univ Nebraska, Sch Biol Sci Plant Sci Initiat, Lincoln, NE 68588 USA. Univ Cambridge, Dept Plant Sci, Cambridge CB2 3EA, England. Univ Calif Berkeley, Dept Plant & Mol Biol, Berkeley, CA 94720 USA. Washington Univ, Sch Med, Dept Genet, St Louis, MO 63110 USA. Univ Cordoba, Fac Ciencias, Dept Bioquim & Biol Mol, E-14071 Cordoba, Argentina. Kyoto Univ, Grad Sch Biostudies, Kyoto 6068502, Japan. Carnegie Inst, Dept Plant Biol, Stanford, CA 94306 USA. Univ Nacl Autonoma Mexico, Inst Fisiol Celular, Dept Genet Mol, Mexico City 04510, DF, Mexico. Univ Bielefeld, Dept Celluar & Dev Biol Plants, D-33615 Bielefeld, Germany. Univ Munster, Inst Plant Biochem & Biotechnol, Dept Biol, D-48143 Munster, Germany. Ecole Normale Super, CNRS, UMR 8186, Dept Biol, F-75230 Paris, France. Univ Melbourne, Sch Bot, Plant Cell Biol Res Ctr, Melbourne, Vic 3010, Australia. Univ Paris 11, Inst Biotechnol Plantes, CNRS, UMR 8618, Orsay, France. Univ Nebraska, N151 Beadle Ctr, Dept Biochem, Lincoln, NE 68588 USA. Johannes Gutenberg Univ Mainz, Inst Allgemeine Bot, D-55099 Mainz, Germany. Scripps Clin & Res Inst, Dept Cell Biol, La Jolla, CA 92037 USA. Scripps Clin & Res Inst, Skaggs Inst Chem Biol, La Jolla, CA 92037 USA. Ohio State Univ, PCMB & Plant Biotechnol Ctr, Columbus, OH 43210 USA. Univ Chicago, Chicago, IL 60637 USA. Univ Jena, Inst Allgemeine Bot & Pflanzenphysiol, D-07743 Jena, Germany. Univ Arizona, Dept Mol & Cellular Biol, Tucson, AZ 85721 USA. Louisiana State Univ, Dept Biol Sci, Baton Rouge, LA 70803 USA. Univ Arizona, Dept Plant Sci, Tucson, AZ 85721 USA. Univ New Brunswick, Dept Biol, Fredericton, NB E3B 6E1, Canada. Univ Massachusetts, Sch Med, Dept Physiol, Worcester, MA 01605 USA. UCL, Dept Biol, London WC1E 6BT, England. Univ Sci & Technol Lille, IFR 118, CNRS, UMR 8576,Unite Glycobiol Struct & Fonctionnelle, Lille, France. Univ Potsdam, Inst Biochem & Biol, D-14476 Golm, Germany. Natl Jewish Med & Res Ctr, Dept Med, Denver, CO 80206 USA. Univ Delaware, Delaware Biotechnol Inst, Newark, DE 19711 USA. Inst Biol 2 Plant Biochem, D-79104 Freiburg, Germany. Cornell Univ, Boyce Thompson Inst Plant Res, Ithaca, NY 14853 USA. Macquarie Univ, Dept Chem & Biomol Sci, Sydney, NSW 2109, Australia. Oklahoma State Univ, Ctr Hlth Sci, Dept Anat & Cell Biol, Tulsa, OK 74107 USA. Izmir Univ Econ, TR-35330 Izmir, Turkey. Acad Sci Czech Republic, Inst Microbiol, Prague, Czech Republic. Charles Univ Prague, Fac Sci, Dept Plant Physiol, CS-12844 Prague, Czech Republic. St Edwards Univ, Bioinformat Program, Austin, TX 78704 USA. Univ Puget Sound, Dept Biol, Tacoma, WA 98407 USA. Hokkaido Univ, Inst Low Temp Sci, Sapporo, Hokkaido 0600819, Japan. Tsinghua Univ, Dept Biol, Beijing 100084, Peoples R China. Washington State Univ, Inst Biol Chem, Pullman, WA 99164 USA. Appalachian State Univ, Boone, NC 28608 USA. Marquette Univ, Dept Biol, Milwaukee, WI 53233 USA. CNRS, Biol Chem Lab, UMR 8576, F-59655 Villeneuve Dascq, France. Stn Zool, Cell Signal Lab, I-80121 Naples, Italy. Ohio State Univ, Grad Program Biophys, Columbus, OH 43210 USA. RP Rokhsar, DS (reprint author), US DOE, Joint Genome Inst, Walnut Creek, CA 94598 USA. EM dsrokhsar@lbl.gov; arthurg@stanford.edu RI Gladyshev, Vadim/A-9894-2013; Lohr, Martin/A-1214-2009; Riano-Pachon, Diego/A-1755-2010; Drouard, Laurence/D-2385-2010; Chen, Chong-Jian/B-6190-2009; Pootakham, Wirulda/F-2358-2011; Willows, Robert/C-1537-2010; Hallmann, Armin/G-5823-2011; Rajamani, Sathish/H-5732-2011; CHEN, Chunlong/D-7096-2011; Ral, Jean-Philippe/H-5632-2012; Paulsen, Ian/K-3832-2012; Gonzalez-Halphen, Diego/C-2664-2013; Elias, Marek/D-6851-2014; Bisova, Katerina/H-2625-2014; Pan, Junmin/H-2673-2014; Schroda, Michael/A-2651-2015; Lemaire, Stephane/A-3530-2008; Gonzalez-Ballester, David/M-5551-2013; Lefebvre, Philippe/F-2685-2010; Allmer, Jens/E-2335-2016; Umen, James/K-9120-2013; OI Riano-Pachon, Diego/0000-0001-9803-3465; Pootakham, Wirulda/0000-0001-6721-6453; Willows, Robert/0000-0002-0731-2950; Rajamani, Sathish/0000-0002-5277-6578; CHEN, Chunlong/0000-0002-4795-0295; Paulsen, Ian/0000-0001-9015-9418; Gonzalez-Halphen, Diego/0000-0003-0654-655X; Elias, Marek/0000-0003-0066-6542; Bisova, Katerina/0000-0003-1997-0894; Schroda, Michael/0000-0001-6872-0483; Gonzalez-Ballester, David/0000-0003-0024-1886; Lefebvre, Philippe/0000-0002-9366-5129; Allmer, Jens/0000-0002-2164-7335; Umen, James/0000-0003-4094-9045; Purton, Saul/0000-0002-9342-1773; Cardol, Pierre/0000-0001-9799-0546; Fernandez Reyes, Emilio/0000-0001-5957-5392; Sayre, Richard/0000-0002-3153-7084; Pazour, Gregory/0000-0002-6285-8796; Fritz-Laylin, Lillian/0000-0002-9237-9403; Novoselov, Sergey/0000-0003-0104-6492; Nelson, David/0000-0003-0583-5421; Ball, Steven/0000-0003-1629-1650; Stern, David/0000-0001-9278-7303 FU NIGMS NIH HHS [GM07185, GM42143, R01 GM032843, R01 GM042143, R01 GM042143-09, R01 GM060992, R01 GM062915-06, R37 GM030626, R37 GM042143, T32 GM007185] NR 55 TC 1133 Z9 1247 U1 84 U2 402 PU AMER ASSOC ADVANCEMENT SCIENCE PI WASHINGTON PA 1200 NEW YORK AVE, NW, WASHINGTON, DC 20005 USA SN 0036-8075 EI 1095-9203 J9 SCIENCE JI Science PD OCT 12 PY 2007 VL 318 IS 5848 BP 245 EP 251 DI 10.1126/science.1143609 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 219LG UT WOS:000250086100040 PM 17932292 ER PT J AU Fluss, MJ Hobart, DE Allen, PG Jarvinen, GD AF Fluss, Michael J. Hobart, David E. Allen, Patrick G. Jarvinen, Gordon D. TI Proceedings of the Plutonium Futures - The science 2006 conference Pacific Grove, California, USA, 9-13 July 2006 SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Editorial Material C1 Lawrence Livermore Natl Lab, Livermore, CA 94577 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Fluss, MJ (reprint author), Lawrence Livermore Natl Lab, 808 E Ave, Livermore, CA 94577 USA. EM fluss1@llnl.gov NR 0 TC 2 Z9 2 U1 2 U2 5 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 1 EP 3 DI 10.1016/j.jallcom.2007.07.080 PG 3 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400001 ER PT J AU Schwartz, AJ AF Schwartz, A. J. TI Plutonium metallurgy: The materials science challenges bridging condensed-matter physics and chemistry SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE actinide alloys and compounds; phase diagrams; phase transitions; solid-state reactions; thermodynamic properties ID PU-GA ALLOYS; MARTENSITIC-TRANSFORMATION; PHASE-STABILITY; LOW-TEMPERATURE; GALLIUM ALLOYS; SELF-IRRADIATION; DELTA-PLUTONIUM; GAMMA-CE; LATTICE; CRYSTALLOGRAPHY AB Although there exists evidence of metallurgical practices dating back over 6000 years, studies of Pu and Pu alloys have been conducted for barely 60 years. During the time of the Manhattan Project and extending for some time afterward, the priority to produce the metal took precedence over the fundamental understanding of the metallurgical principals. In the past decade or so, there has been a resurgence in the basic metallurgy, condensedmatter physics, and chemistry of Pu and Pu alloys. These communities have made substantial progress, both experimentally and theoretically in many areas; however, many challenges still remain. The intent of this brief overview is to highlight a number important challenges that we face in the metallurgy of Pu including phase transformations and phase stability, aging, and the connection between electronic structure and metallurgy. (c) 2006 Elsevier B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Schwartz, AJ (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM schwartz6@llnl.gov NR 63 TC 14 Z9 15 U1 2 U2 14 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 4 EP 10 DI 10.1016/j.jallcom.2006.11.108 PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400002 ER PT J AU Clark, DL Choppin, GR Dayton, CS Janecky, DR Lane, LJ Paton, I AF Clark, David L. Choppin, Gregory R. Dayton, Christine S. Janecky, David R. Lane, Leonard J. Paton, Ian TI Rocky Flats closure: The role of models in facilitating scientific communication with stakeholder groups SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE environmental remediation; geostatistical models; sediment transport; colloid ID PLUTONIUM-239+240; COLORADO; AM-241; SOIL AB The Rocky Flats Environmental Technology Site (RFETS) was a U.S. Department of Energy (DOE) environmental cleanup site for a previous manufacturing plant that made components for the U.S. nuclear weapons arsenal. The facility was shut down in 1989 to address environmental and safety concerns, and left behind a legacy of contaminated facilities, soils, surface and ground water. In 1995, the Site contractor established the Actinide Migration Evaluation (AME) advisory group to provide advice and technical expertise on issues of actinide behavior and mobility in the air, surface water, groundwater, and soil. Through a combination of expert judgment supported by state-of-the-art scientific measurements, it was shown that under environmental conditions at Rocky Flats, plutonium and americium form insoluble oxides that adhere to small soil, organic, and mineral particles and colloids, or are colloidal materials themselves. A series of models ranging from conceptual, geostatistial, and large-scale wind and surface water erosion models were used to guide stakeholder interactions. The nature of these models, and their use in public communication is described. (c) 2007 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Florida State Univ, Tallahassee, FL 32306 USA. Integrated Hydro Syst, Arvada, CO 80007 USA. LJ Lane Consulting, Tucson, AZ 85704 USA. Wright Water Engn Ins, Denver, CO 80211 USA. RP Clark, DL (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM dlclark@lanl.gov RI Clark, David/A-9729-2011; OI Janecky, David/0000-0001-9072-8326 NR 21 TC 4 Z9 4 U1 0 U2 7 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 11 EP 18 DI 10.1016/j.jallcom.2007.02.121 PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400003 ER PT J AU Thompson, JD Curro, NJ Park, T Bauer, ED Sarrao, JL AF Thompson, J. D. Curro, N. J. Park, Tuson Bauer, E. D. Sarrao, J. L. TI PuCoGa5 and related materials SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE superconductivity; heavy fermions; spin dynamics ID UNCONVENTIONAL SUPERCONDUCTIVITY; IN-115 NQR; PRESSURE; CERHIN5; TRANSITION AB Temperature dependencies of the nuclear spin-relaxation rate and specific heat of PuCoGa5 and isostructural PuRbGa5 are consistent with their superconductivity being unconventional. A simple model of hybridization between localized f-electrons and itinerant conduction-band electrons gives a framework for interpreting basic similarities and differences between these Pu-based superconductors and their Ce-based analogs. This model also provides a rationale for the correlation between T, and a characteristic spin-energy scale in these materials. (c) 2006 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Thompson, JD (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM jdt@lanl.gov RI Bauer, Eric/D-7212-2011; Park, Tuson/A-1520-2012; Curro, Nicholas/D-3413-2009 OI Curro, Nicholas/0000-0001-7829-0237 NR 29 TC 6 Z9 6 U1 0 U2 10 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 19 EP 22 DI 10.1016/j.jallcom.2006.09.046 PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400004 ER PT J AU Turchi, PEA Kaufman, L Zhou, SH Liu, ZK AF Turchi, P. E. A. Kaufman, L. Zhou, Shihuai Liu, Zi-Kui TI Thermostatics and kinetics of transformations in Pu-based alloys SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE actinide alloys and compounds; thermodynamic properties; thermodynamic modeling; phase diagrams; diffusion ID DELTA-PLUTONIUM; SELF-DIFFUSION; THERMO-CALC; SYSTEM; THERMODYNAMICS; TEMPERATURE; SIMULATION; STABILITY; GALLIUM; SCIENCE AB CALPHAD assessment of the thermodynamic properties of a series of Pu-based alloys is briefly presented together with some results on the kinetics of phase formation and transformations in Pu-Ga alloys. (c) 2006 Elsevier B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Penn State Univ, Dept Mat Sci & Engn, University Pk, PA USA. RP Turchi, PEA (reprint author), Iowa State Univ, Ames Lab, Mat & Engn Phys Program, USDOE, Ames, IA 50011 USA. EM turchil@llnl.gov RI Liu, Zi-Kui/A-8196-2009 OI Liu, Zi-Kui/0000-0003-3346-3696 NR 43 TC 22 Z9 22 U1 1 U2 11 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 28 EP 35 DI 10.1016/j.jallcom.2006.10.046 PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400006 ER PT J AU Haire, RG AF Haire, R. G. TI Insights into the bonding and electronic nature of heavy element materials SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE actinide metals; alloys and compounds; structure and bonding ID PRESSURE; METAL; THERMOCHROMATOGRAPHY; SUPERCONDUCTIVITY; VAPORIZATION; ACTINIDES; AMERICIUM; GPA AB A long standing issue in heavy element science is what role electrons, especially the f-electrons, play in chemical and physical behaviors. This interest prevails not only for changes found between the two f-electron series and for the different elements in one series, but also for comparing a particular element's behavior in its elemental and combined states. Different types of experimental approaches over the years have been employed to probe and evaluate the nature of bonding and electronic configurations in these materials. In some instances the conclusions arrived from experiment and theory have differed, but theory and experiment have recently become more encompassing, sophisticated and in better accord with one another. Interpretations about the electronic interactions and bonding at ambient or elevated temperatures in the f-elements have been employed for many years and have generated important and guidelines Structural behaviors under pressure and the associated correlations with bonding via experimental methods have become especially enlightening in this regard. These experimental findings also generated increased theoretical efforts to probe these changes and offer new insights. Selected aspects of results obtained to date for f-electron materials using different experimental approaches and conditions will be examined and discussed here with regard to electronic configurations and the potential changes that occur in bonding. A useful approach in this regard is to employ correlations to establish trends as a function of electronic nature and configurations. Findings using this approach will be discussed here and compared to computational results for several materials. Published by Elsevier B.V. C1 Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Haire, RG (reprint author), Oak Ridge Natl Lab, Div Chem Sci, POB 2008, Oak Ridge, TN 37831 USA. EM hairerg@orn1.gov NR 37 TC 7 Z9 7 U1 0 U2 8 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 63 EP 71 DI 10.1016/j.jallcom.2007.01.103 PG 9 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400011 ER PT J AU Wolfer, WG Kubota, A Soderlind, P Landa, AI Oudot, B Sadigh, B Sturgeon, JB Surh, MP AF Wolfer, Wilhelm G. Kubota, Alison Soederlind, Per Landa, Alexander I. Oudot, Benoit Sadigh, Babak Sturgeon, Jess B. Surh, Michael P. TI Density changes in Ga-stabilized delta-Pu, and what they mean SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE metals; intermetallics; precipitation; point defects; x-ray diffraction ID COPPER-ALLOYS; PLUTONIUM; HELIUM AB Ga-stabilized delta-Pu undergoes small changes in density with time. These have been associated with four different causes: an initial reversible expansion that saturates after a short time; a continuous change that can be attributed to the in-growth of helium and actinide daughter products from the radioactive decay of plutonium; possible void swelling; and phase instability. We review our present understanding of these processes and evaluate their contributions to density changes. It is shown that the initial transient expansion is intimately connected with the metastability of the delta-phase at ambient temperature. Published by Elsevier B.V. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Wolfer, WG (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM wolferl@llnl.gov NR 17 TC 14 Z9 15 U1 0 U2 8 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 72 EP 79 DI 10.1016/j.jallcom.2006.10.045 PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400012 ER PT J AU Heffner, RH Ohishi, K Fluss, MJ Morris, GD MacLaughlin, DE Shu, L Chung, BW McCall, SK Bauer, ED Sarrao, JL Ito, TU Higemoto, W AF Heffner, R. H. Ohishi, K. Fluss, M. J. Morris, G. D. MacLaughlin, D. E. Shu, L. Chung, B. W. McCall, S. K. Bauer, E. D. Sarrao, J. L. Ito, T. U. Higemoto, W. TI The search for magnetic order in delta-Pu metal using muon spin relaxation SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE actinide alloys and compounds; muon spectroscopies ID GALLIUM ALLOYS; PLUTONIUM; PHASE; ANTIFERROMAGNETICS; SUPERCONDUCTIVITY; IMPURITIES; ELECTRONS; STATE AB We review results from previous muon spin relaxation (mu SR) measurements in applied fields of H-0 = 0 and 0.25 T which established an upper limit for the ordered or disordered frozen spin moment above T = 4 K in delta-Pu (4.3 at.% Ga) of mu(ord) <= 10(-3) mu(B). In addition, we present new data in H-0 = 0.25 and 2 T applied field on a highly annealed delta-Pu (4.3 at.% Ga) sample. Neither the muon Knight shift (H-0 = 2 T) nor the inhomogeneous linewidths in the new sample show appreciable temperature dependence below about T = 60 K, also consistent with no spin freezing. Recent theoretical arguments advanced to explain these results are mentioned. (C) 2006 Elsevier B.V. All rights reserved. C1 Japan Atom Energy Agcy, Naka, Ibaraki 31911, Japan. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. TRIUMF, Vancouver, BC V6T 2A3, Canada. Univ Calif Riverside, Dept Phys, Riverside, CA 92521 USA. Tokyo Inst Technol, Dept Phys, Meguro Ku, Tokyo 152, Japan. RP Heffner, RH (reprint author), Japan Atom Energy Agcy, Naka, Ibaraki 31911, Japan. EM robert.heffner@jaea.go.jp RI Ohishi, Kazuki/E-9592-2010; McCall, Scott/G-1733-2014; Bauer, Eric/D-7212-2011; Shu, Lei/E-7524-2012; Chung, Brandon/G-2929-2012 OI Ohishi, Kazuki/0000-0003-1494-6502; McCall, Scott/0000-0002-7979-4944; Ito, Takashi/0000-0003-1971-4313; Bauer, Eric/0000-0003-0017-1937; NR 25 TC 7 Z9 7 U1 0 U2 5 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 80 EP 83 DI 10.1016/j.jallcom.2006.12.026 PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400013 ER PT J AU Griveau, JC Rebizant, J Haire, RG Kotliar, G Lander, GH AF Griveau, J.-C. Rebizant, J. Haire, R. G. Kotliar, G. Lander, G. H. TI Americium under pressure SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE resistivity; pressure; critical field ID SUPERCONDUCTIVITY; DELOCALIZATION; TEMPERATURE; RESISTIVITY; PHASE; METAL AB Electrical resistivity measurements of Americium metal under pressure in the normal and in the superconducting state are reported up to 27 GPa and down to temperatures of 0.4 K under magnetic field (<0.6 T). Resistivity under pressure indicates that superconducting transition temperature T, rapidly increased with pressures in the 5 GPa range. The pressure dependence of the upper critical field is surprising, with mu H-0(c)(0) increasing rapidly with pressure (estimated to 1 T at the maximum of T-c). Contrary to expectations, the 5f electrons play probably an important role in this material even at low pressures. We do not observe any sign of an ordered state in this material, as judged by an anomaly in the resistivity, in contrast to the predictions, but possible weak "localisation" features deduced from normalised electrical resistivity curves. (C) 2007 Published by Elsevier B.V. C1 European Communities Joint Res Ctr Inst, Inst Transuranium Elements, D-76125 Karlsruhe, Germany. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. Rutgers State Univ, Ctr Mat Theory, Dept Phys & Astron, Piscataway, NJ 08854 USA. RP Griveau, JC (reprint author), European Communities Joint Res Ctr Inst, Inst Transuranium Elements, Postfach 2340, D-76125 Karlsruhe, Germany. EM jean-christophe.griveau@ec.europa.eu NR 26 TC 1 Z9 1 U1 0 U2 3 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 84 EP 87 DI 10.1016/j.jallcom.2007.05.110 PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400014 ER PT J AU Soderlind, P AF Soederlind, Per TI Cancellation of spin and orbital magnetic moments in delta-Pu: Theory SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE delta-Pu; electronic structure; density functional theory ID ELECTRONIC CONFIGURATION; PLUTONIUM; STATE AB Density functional theory (DFT), in conjunction with the fixed-spin-moment (FSM) method, spin-orbit coupling (SO), and orbital polarization (OP), is shown to retain key features of the conventional DFT treatment of delta-Pu while at the same time not producing the substantial net magnetic moments commonly predicted by this theory. It is shown that when a small adjustment of the spin moment (less than 20%) is allowed, a complete spin- and orbital-moment cancellation occurs which results in a zero net magnetic moment in delta-Pu. This minor modification, accomplished by the FSM method, is shown to have a very small effect on the calculated total energy as well as the electron density-of-states (DOS). The photoemission spectra (PES), obtained from the DOS of the present model, compares equal or better to measured spectra, than that of two other recent non-magnetic models for delta-Pu. (C) 2006 Elsevier B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Soderlind, P (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94550 USA. EM soderlind@llnl.gov NR 19 TC 12 Z9 12 U1 0 U2 2 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 93 EP 97 DI 10.1016/j.jallcom.2006.10.084 PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400016 ER PT J AU Massalski, TB Schwartz, AJ AF Massalski, T. B. Schwartz, A. J. TI Connections between the Pu-Ga phase diagram in the Pu-rich region and the low temperature phase transformations SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE actinide alloys and compounds; phase diagrams; phase transitions; solid-state reactions; thermodynamic properties ID BINARY-SYSTEMS; DELTA-PHASE; ALLOYS; STABILITY; PLUTONIUM; THERMODYNAMICS AB Significant progress has been made in recent years regarding the equilibrium phase diagram of the Pu-Ga system. For decades, researchers outside of the former Soviet Union considered the delta phase in Pu-Ga alloys to be in the state of thermodynamic equilibrium down to low temperatures. Recently, decades of experimental work in Russia have been published that indicate the existence of a eutectoid decomposition of the metastable delta phase to alpha phase and Pu3Ga. Phase diagram calculations by a number of researchers have predicted this eutectoid transformation as well. In this work, we review the experimental and calculated phase diagrams and also comment on the expected consequences of the IIIrd law of thermodynamics with respect to the form of the delta phase held. Assembled data from the literature on the martensite start (M-S) and reversion (R-S) temperatures for the delta -> alpha' transformation as a function of Ga content are used to consider the possible trend of the To line describing the equivalence of the free energies of the alpha and delta phases in the phase diagram. It is suggested that in order to reconcile the need for the existence of a driving force for both the compositionally variant eutectoid reaction, as well as a compositionally invariant martensitic transformation in a Pu-2 at. % Ga alloy, the actual To line may lie higher than that indicated by the present thermodynamical modeling. (C) 2006 Elsevier B.V. All rights reserved. C1 Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA. Lawrence Livermore Natl Lab, Phys & Adv Technol Directorate, Livermore, CA 94550 USA. RP Schwartz, AJ (reprint author), Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA. EM schwartz6@llnl.gov NR 19 TC 7 Z9 8 U1 0 U2 6 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 98 EP 103 DI 10.1016/j.jallcom.2006.09.132 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400017 ER PT J AU Booth, CH Daniel, M Wilson, RE Bauer, ED Mitchell, JN Moreno, NO Morales, LA Sarrao, JL Allen, PG AF Booth, C. H. Daniel, M. Wilson, R. E. Bauer, E. D. Mitchell, J. N. Moreno, N. O. Morales, L. A. Sarrao, J. L. Allen, P. G. TI Self-irradiation damage and 5f localization in PuCoGa5 SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE actinide alloys and materials; superconductors; crystal structure; radiation effects; EXAFS; NEXAFS; SEXAFS ID X-RAY-ABSORPTION; FINE-STRUCTURE; URANIUM-COMPOUNDS; SPECTROSCOPY; TEMPERATURE; BEHAVIOR; SPECTRA AB Understanding superconductivity in PuCoGa5 Presents several challenges due to the presence of local moments and self-irradiation damage. We present X-ray absorption fine-structure measurements that further establish the presence of local 5f-electrons. Moreover, these data indicate even stronger localization after the PuCoGa5 sample has aged, indicating a possible mixed valent ground state of the Pu atoms. Local structure measurements on this aged sample show an astonishing amount of damage, approximately 40% of the material after about 2 years. This amount of damage indicates that distortions around the Frenkel defects extend beyond the nearest-neighbor, and is qualitatively consistent with a percolation model for the destruction of the superconducting state after sufficient damage has accumulated. (C) 2006 Elsevier B.V. All rights reserved. C1 Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. Los Alamos Natl Lab, Div Mat Sci, Los Alamos, NM 87545 USA. Lawrence Livermore Natl Lab, Mat Sci & Technol Div, Livermore, CA 94550 USA. RP Booth, CH (reprint author), Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM chbooth@lbl.gov RI Booth, Corwin/A-7877-2008; Bauer, Eric/D-7212-2011; Wilson, Richard/H-1763-2011; Moreno, Nelson/H-1708-2012; Mitchell, Jeremy/E-2875-2010; OI Wilson, Richard/0000-0001-8618-5680; Moreno, Nelson/0000-0002-1672-4340; Mitchell, Jeremy/0000-0001-7109-3505; Bauer, Eric/0000-0003-0017-1937 NR 22 TC 8 Z9 8 U1 0 U2 11 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 119 EP 123 DI 10.1016/j.jallcom.2006.09.135 PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400021 ER PT J AU Manley, ME Yethiraj, M Sinn, H Volz, HM Alatas, A Lashley, JC Hults, WL Lander, GH Thoma, DJ Smith, JL AF Manley, M. E. Yethiraj, M. Sinn, H. Volz, H. M. Alatas, A. Lashley, J. C. Hults, W. L. Lander, G. H. Thoma, D. J. Smith, J. L. TI Intrinsically localized vibrations and the mechanical properties of alpha-uranium SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co ID THERMAL-EXPANSION; PLUTONIUM AB Recent experiments have indicated that the high-temperature properties of alpha-uranium may be strongly influenced by the formation of randomly distributed intrinsically localized vibrational modes, just a few atoms across in size. One observation was a loss of mechanical ductility that coincided with the formation of the intrinsically localized mode (ILM). Here, we consider this observation in more detail. In particular, we use the anisotropic thermal expansion behaviour to estimate the strains associated with each ILM and consider the implications for the forces between ILMs and the defects responsible for mechanical deformation. In the process we also suggest that an unusual transition from positive to negative thermal expansion along the [0 1 0] direction may be caused by the formation of ILMs. (C) 2007 Published by Elsevier B.V. C1 Univ Calif Davis, Dept Chem Engn & Mat Sci, Davis, CA 95616 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Argonne Natl Lab, Argonne, IL 60439 USA. European Commiss, Joint Res Ctr, Inst Transuranium Elements, D-76125 Karlsruhe, Germany. RP Manley, ME (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI Manley, Michael/N-4334-2015 NR 22 TC 3 Z9 3 U1 0 U2 4 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 129 EP 132 DI 10.1016/j.jallcom.2006.09.137 PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400023 ER PT J AU Migliori, A Mihut, I Betts, JB Ramos, M Mielke, C Pantea, C Miller, D AF Migliori, Albert Mihut, I. Betts, J. B. Ramos, M. Mielke, C. Pantea, C. Miller, D. TI Temperature and time-dependence of the elastic moduli of Pu and Pu-Ga alloys SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE plutonium; elasticity; ultrasound AB In previous work, on cooling from 300 K to 10 K the elastic moduli for both alpha- and delta-Pu dropped 30%. This large change may reflect effects of 5f-electron localization. In this work, the elastic moduli at ambient temperature of several Pu-Ga alloys were measured using resonant ultrasound spectroscopy (RUS). The strong temperature dependence of the bulk and shear modulus and the temperature independence of Poisson's ratio was confirmed and the upper temperature limit for alpha-Pu was extended to 360 K. Measurements of the time dependence of the shear moduli of Pu and Pu-2.36 at.% Ga were determined with high precision as a function of time and temperature. Using a model for time dependence of point defects, we determined the exponential time constant at ambient temperature for such variations. The low temperature results are consistent with Fluss [1]. (C) 2007 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Los Alamos, NM USA. RP Mihut, I (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM USA. EM izabela@lanl.gov RI Pantea, Cristian/D-4108-2009; Stroe, Izabela/B-3790-2010; Mielke, Charles/S-6827-2016; OI Mielke, Charles/0000-0002-2096-5411; Pantea, Cristian/0000-0002-0805-8923 NR 14 TC 21 Z9 21 U1 0 U2 10 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 133 EP 137 DI 10.1016/j.jallcom.2006.11.157 PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400024 ER PT J AU Heathman, S Haire, RG Le Bihan, T Ahuja, R Li, S Luo, W Johansson, B AF Heathman, S. Haire, R. G. Le Bihan, T. Ahuja, R. Li, S. Luo, W. Johansson, B. TI The unique high-pressure behavior of curium probed further using alloys SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE actinides; high-pressure structures; high-pressure behaviors ID PHASE-TRANSITIONS; 5F ELECTRONS AB The changing role of the 5f electrons across the actinide series has been of prime interest for many years. The remarkable behavior of americium's 5f electrons under pressure was determined experimentally a few years ago and it precipitated a strong interest in the heavy element community. Theoretical treatments of americium's behavior under pressure followed and continue today. Experimental and theoretical findings regarding curium's behavior under pressure have shown that the pressure behavior of curium was not a mirror image of that for americium. Rather, one of the five crystallographic phases observed with curium (versus four for americium) was a unique monoclinic structure whose existence is due to a spin stabilization effect by curium's 5f(7) electronic configuration and its half-filled 5f-shell. We review briefly the behavior of pure curium under pressure but focus on the pressure behaviors of three curium alloys with the intent of comparing them with pure curium. An important experimental finding confirmed by theoretical computations, is that dilution of curium with its near neighbors is sufficient to prevent the formation of the unique C2/c phase that appears in pure Cm metal under pressure. As this unique C2/c phase is very sensitive to having a 5f7 configuration to maximize the magnetic spin polarization, dilution of this state with adjacent actinide neighbors reduces its stability. (C) 2007 Elsevier B.V. All rights reserved. C1 European Commiss, Joint Res Ctr, ITU, D-76125 Karlsruhe, Germany. Oak Ridge Natl Lab, Oak Ridge, TN USA. Ctr Valduc, CEA, F-21120 Issur Tille, France. Uppsala Univ, Dept Phys, S-75121 Uppsala, Sweden. Virginia Commonwealth Univ, Dept Phys, Richmond, VA 23284 USA. Royal Inst Technol, SE-10044 Stockholm, Sweden. RP Haire, RG (reprint author), European Commiss, Joint Res Ctr, ITU, Postfach 2340, D-76125 Karlsruhe, Germany. EM hairerg@ornl.gov RI LE BIHAN, Tristan/I-5063-2013 NR 10 TC 3 Z9 3 U1 0 U2 3 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 138 EP 141 DI 10.1016/j.jallcom.2006.12.031 PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400025 ER PT J AU Chapline, G Fluss, M McCall, S AF Chapline, G. Fluss, M. McCall, S. TI Plutonium and quantum criticality SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE high T-c superconductors; heavy fermions; electron-phonon interactions ID ALPHA-GAMMA-TRANSITION; METALS; SUPERCONDUCTIVITY; CERIUM AB The unusual properties of the elemental plutonium have long been a puzzle. It has been suggested that these properties may be related to quantum criticality [G. Chapline, J.L. Smith, LA Sci. 26 (2000) 1]. In this talk we will describe some experimental observations on rare earth and actinide 14 materials which suggest that there are pairing correlations in all f-electron metals, and that the anomalous properties of the actinides in the vicinity of Np/Pu/Am, even at elevated temperatures, is associated with a critical point in the variation of the pair condensate order parameter with atomic number. (C) 2006 Published by Elsevier B.V. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Chapline, G (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM chapline1@llnl.gov RI McCall, Scott/G-1733-2014 OI McCall, Scott/0000-0002-7979-4944 NR 22 TC 6 Z9 6 U1 0 U2 4 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 142 EP 144 DI 10.1016/j.jallcom.2006.10.165 PG 3 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400026 ER PT J AU Tobin, JG AF Tobin, J. G. TI Beyond spin-orbit: Probing electron correlation in the Pu 5f states using spin-resolved photoelectron spectroscopy SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE metals; electronic states (localized); electronic band structure; photoelectron spectroscopies; synchrotron radiation; NEXAFS ID DELTA-PLUTONIUM; PHOTOEMISSION; ORIENTATION AB Experiments planned to address the issue of electron correlation in the Pu 5f states are described herein. The key is the utilization of the Fano effect: the observation of spin polarization in nonmagnetic systems, using chiral excitation such as circularly polarized X-rays. (c) 2006 Elsevier B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Tobin, JG (reprint author), Lawrence Livermore Natl Lab, CMS 7000 E Ave,L-356, Livermore, CA 94550 USA. RI Tobin, James/O-6953-2015 NR 30 TC 6 Z9 6 U1 0 U2 2 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 154 EP 161 DI 10.1016/j.jallcom.2006.10.107 PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400029 ER PT J AU McCall, SK Fluss, MJ Chung, BW McElfresh, MW Chapline, GF Jackson, DD Haire, RG AF McCall, S. K. Fluss, M. J. Chung, B. W. McElfresh, M. W. Chapline, G. F. Jackson, D. D. Haire, R. G. TI Isochronal annealing studies in Pu and Pu alloys using magnetic susceptibility SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE magnetic measurements; metals and alloys; vacancy information ID ACTINIDE ELEMENTS; PLUTONIUM; BEHAVIOR AB The isochronal annealing of the low temperature accumulated damage from the radioactive decay of plutonium in alpha-Pu, delta-Pu1-xGax (x = 0.043) and delta-Pu1-xAmx(x = 0.224) was characterized using magnetic susceptibility. In each specimen, thermal annealing, as tracked by magnetic susceptibility, only commenced when T > 33 K and the magnetic susceptibility changes due to defects were fully annealed at T similar to 300 K. The (alpha-Pu magnetic susceptibility isochronal annealing data is similar to earlier measurements of resistivity characterized isochronal annealing. However, the delta-Pu1-xGax = 0.043) magnetic susceptibility isochronal annealing data, when compared with similar resistivity data, indicates that for this alloy magnetic susceptibility studies are more sensitive to vacancies than to the interstitials accumulated at low temperatures. The Pu1-xAmx (x = 0.224) alloy shows a remarkable change in properties, over a limited temperature range beginning where. interstitial defects are first mobile, and characterized by an induced effective moment of order 1.1 mu(B)/Pu. This transient behavior may be evidence for a disorder driven low temperature phase transition, perhaps indicative of a compositional and structural proximity to a state possessing significant magnetic moments. (c) 2007 Elsevier B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP McCall, SK (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM mccall10@llnl.gov RI Chung, Brandon/G-2929-2012; McCall, Scott/G-1733-2014 OI McCall, Scott/0000-0002-7979-4944 NR 19 TC 5 Z9 5 U1 4 U2 15 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 EI 1873-4669 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 168 EP 173 DI 10.1016/j.jallcom.2006.12.090 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400031 ER PT J AU Volz, HM Hackenberg, RE Kelly, AM Hults, WL Lawson, AC Field, RD Teter, DF Thoma, DJ AF Volz, H. M. Hackenberg, R. E. Kelly, A. M. Hults, W. L. Lawson, A. C. Field, R. D. Teter, D. F. Thoma, D. J. TI X-ray diffraction analyses of aged U-Nb alloys SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE uranium; alloy; diffraction; lattice parameter changes ID URANIUM; PHASES; MODEL AB An aging study of compositionally homogeneous U-5.6Nb and U-7.7Nb (wt.%) was undertaken to improve the understanding of the decomposition of metastable martensitic phases in the U-Nb system. Artificially aging these depleted (U-238) uranium alloys at 373, 473, 523 and 573 K for times up to 70 days resulted in significant age hardening. However, the microstructural changes giving rise to this hardening are subtle and elude standard light optical and electron microscopy techniques; this subtlety motivated the present study of aging-related changes by X-ray diffraction. A sealed tube X-ray diffractometer was used to record powder diffraction patterns from these aged polycrystalline U-Nb samples along with a CeO2 standard. Data were analyzed using GSAS for full-pattern Rietveld refinements. Planar defects as well as strain broadening appear to have caused unusual peak profiles, which makes data interpretation challenging. Lattice parameter and unit cell volume trends are presented. U-5.6Nb experienced a reversal in the b lattice parameter and unit cell volume during aging, which has both similarities and differences to aging in dilute U-Ti and U-Mo alloys. The longest-time aging unit cell volume trends of U-5.6Nb indicate Nb depletion of the matrix phase, while the corresponding behavior at all aging times in U-7.7Nb is indicative of Nb enrichment in its matrix phase. (C) 2006 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Volz, HM (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM hvolz@lanl.gov OI Hackenberg, Robert/0000-0002-0380-5723 NR 16 TC 16 Z9 18 U1 2 U2 25 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 217 EP 225 DI 10.1016/j.jallcom.2006.11.089 PG 9 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400040 ER PT J AU Oudot, B Blobaum, K Wall, MA Schwartz, AJ AF Oudot, B. Blobaum, K. J. M. Wall, M. A. Schwartz, A. J. TI Supporting evidence for double-C curve kinetics in the isothermal delta ->alpha phase transformation in a Pu-Ga alloy SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE actinide alloys and compounds; metals and alloys; solid state reactions; phase transitions; calorimetry ID DELTA-PHASE; TRANSFORMATION; RESISTIVITY; NUCLEATION; STABILITY AB Time-temperature-transformation (TTT) diagrams for the delta -> alpha' transformation in a number of Pu-Ga alloys were first reported in 1975 by Orme et al. Unlike typical single-C curve kinetics observed in most isothermal martensitic transformations, the Pu-1.9 at.% Ga alloy exhibits two noses, and thus double-C curve kinetics. The authors attributed the occurrence of the double-C to a difference in mechanism: a massive transformation for the upper C and a martensitic transformation for the lower C. Since that time, the nature, and the existence of the double C have received only limited attention. The results of Deloffre et al. suggest a confirmation of this behavior, but the fundamental origin of the double C remains unknown. Here, we apply differential scanning calorimetry (DSC) as an alternative approach to acquiring the TTT data and our experimental evidence suggests a confirmation of the double-C behavior after 18 h of isothermal hold time. In addition, we report three exothermic peaks corresponding to transformations during cooling at 20 degrees C/min prior to the isothermal holds. These three peaks are reproducible and suggest a number of possibilities for the origin of the unique kinetics: alpha' forms with different morphologies, or from different embryos in the upper and lower C curves; a' forms directly in one C curve and forms via an intermediate phase in the other C curve; the two C curves result from a' forming by two or more distinct mechanisms (e.g., massive and martensitic transformations). F (C) 2006 Elsevier B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Blobaum, K (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM blobaum1@llnl.gov NR 16 TC 18 Z9 18 U1 1 U2 3 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 230 EP 235 DI 10.1016/j.jallcom.2006.10.159 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400042 ER PT J AU Bouchet, J Albers, RC Jomard, G AF Bouchet, J. Albers, R. C. Jomard, G. TI GGA and LDA plus U calculations of Pu phases SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE plutonium; correlations; LDA plus U; pseudophase ID PLUTONIUM AB The effect of correlations in Pu are studied using GGA and LDA + U. We have used the simplicity of an approximate a phase structure, which we call a pseudo structure, to understand the main differences between low and high temperatures phases of Pu. Our results show the importance of the local atomic environment. (C) 2006 Elsevier B.V. All rights reserved. C1 CEA DAM, Dept Phys Theor & Appl, Bruyeres Le Chatel, France. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Bouchet, J (reprint author), CEA DAM, Dept Phys Theor & Appl, Bruyeres Le Chatel, France. EM johann.bouchet@cea.fr NR 8 TC 3 Z9 3 U1 0 U2 2 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 246 EP 248 DI 10.1016/j.jallcom.2006.10.094 PG 3 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400045 ER PT J AU Harbur, DR AF Harbur, D. R. TI The effect of pressure on phase-stability in the Pu-Ga alloy system SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE amorphous material; X-ray diffraction; electronic band structure; strain high-pressure; disordered system AB In examining and analyzing over three decades of research on the transformations involved in Pu-Ga alloys, it is clear that many incongruities and contradictions exist. New analysis shows that under certain processing conditions large amounts of a non-diffracting disordered state exists in Pu-Ga alloys, which I call the amorphous state. The amorphous state is certainly not an equilibrium state, but it can be formed under certain pressure conditions, and more surprisingly once formed can persist for extended times and temperatures. It is believed that the emergence of the amorphous state is closely linked to the 5f-electrons going into a bonding mode. Being a physical state, the amorphous state has distinct physical properties, meta-stabilities, and sensitivities to Ga content. The existence of an amorphous state requires innovative new tools for identification and analysis. The density and compressibility data presented in this paper is one such tool for analyzing the amorphous state, but it requires other knowledge of the materials for proper analysis. Many studies point to radiation damage producing amorphous regions. New computer modeling studies show the existence of amorphous regions and Pu-rich interstitial defects in Pu-Ga alloys. Published by Elsevier B.V. C1 Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Harbur, DR (reprint author), Los Alamos Natl Lab, MST 8,83 Mesa Verde Dr, Los Alamos, NM 87544 USA. EM dharbur@lanl.gov NR 16 TC 9 Z9 10 U1 1 U2 6 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 249 EP 256 DI 10.1016/j.jallcom.2006.12.144 PG 8 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400046 ER PT J AU Graf, MJ AF Graf, Matthias J. TI The Debye-Waller factor of stabilized delta-Pu SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE metals; neutron scattering; diffraction ID PLUTONIUM AB The Debye-Waller factor has been calculated for stabilized delta-phase plutonium with 5% aluminum. A quasi-harmonic Born-von Karman force model with temperature dependent phonon frequencies was used to calculate the mean-square thermal atomic displacement from absolute 0 to OF 800 K. Implementation of the observed anomalous softening of the long wavelength phonons with increasing temperature cannot account for the softening of the measured thermal parameter at high temperatures nor for its rather high value at low temperatures. The implications for diffraction measurements on delta-phase stabilized plutonium alloys are discussed. (c) 2006 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87544 USA. RP Graf, MJ (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87544 USA. EM graf@lanl.gov NR 15 TC 1 Z9 1 U1 0 U2 2 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 268 EP 270 DI 10.1016/j.jallcom.2006.10.031 PG 3 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400050 ER PT J AU Lawson, AC Lashley, JC Riseborough, PS AF Lawson, A. C. Lashley, J. C. Riseborough, Peter S. TI Cerium isomorphism and the delta-alpha transformation in plutonium SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE metals; thermodynamic properties; phase diagrams; phase transitions ID TRANSITION; CRYSTAL AB We use the thermodynamic model introduced by Aptekar' and Ponyatovskiy for the gamma-alpha transformation in cerium metal to study the properties of plutonium metal. The model describes the delta-alpha transformation in Pu and explains the minimum in the melting versus pressure curves for both materials. Ga stabilization of the delta-phase of Pu is explained in terms of a first order transition between the two phases. The model parameters found for Pu are similar to those found earlier for Ce. (c) 2006 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Temple Univ, Dept Phys, Philadelphia, PA 19122 USA. RP Lawson, AC (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM aclawson@vla.com RI Riseborough, Peter/D-4689-2011 NR 18 TC 3 Z9 3 U1 0 U2 2 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 274 EP 277 DI 10.1016/j.jallcom.2006.09.082 PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400052 ER PT J AU Julien, JP Albers, RC Bouchet, J AF Julien, J. P. Albers, R. C. Bouchet, J. TI Effect of spin-orbit coupling on an ab initio Gutzwiller approach for Pu SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE plutonium; correlated electronic structure; ab initio Gutzwiller method ID DELTA-PU; INFINITE DIMENSIONS; BAND THEORY; PLUTONIUM; SYSTEMS AB We present an improved version of our recently proposed ab initio Gutzwiller method to study solids with strong local Coulomb interactions as a correction to first principles DFT-LDA (density functional theory in the local density approximation). The variational (Rayleigh-Ritz) parameters are the probabilities of atomic configurations. The quasiparticle spectrum is obtained from the eigenvalues of an effective Hamiltonian with renormalized hopping and on-site terms. Our method includes both an ab initio, parameter free, realistic description of the energy bands, as well as strong correlation aspects of the coherent part of the spectrum. It can be considered as an improvement to the LDA + U method, which has the same starting Hamiltonian but where the interactions are calculated only at the mean-field level. Application to delta-plutonium is presented, with particular attention to possible scenarios to discriminate between localized and less localized states due to spin-orbit coupling. This provides new insight into the still controversial electronic structure of this element. (c) 2007 Published by Elsevier B.V. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. CEA, DAM, Dept Phys Theor & Appl, Bruyeres Le Chatel, France. RP Julien, JP (reprint author), CNRS, Inst Neel, BP 166, F-38042 Grenoble 6, France. EM jpjulien@grenoble.cnrs.fr NR 20 TC 1 Z9 1 U1 0 U2 0 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 EI 1873-4669 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 285 EP 287 DI 10.1016/j.jallcom.2007.06.075 PG 3 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400055 ER PT J AU Landa, A Soderlind, P Vitos, L AF Landa, Alex Soederlind, Per Vitos, Levente TI Density-functional calculations of alpha-Pu-Ga(Al) alloys SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE actinide alloys and compounds; crystal structure; computer simulations ID PLUTONIUM; SYSTEMS AB First-principles methods are employed to study the ground-state atomic volumes of alpha-Pu-Ga(Al) alloys. It is shown that a random distribution of Ga(Al) atoms in the monoclinic lattice of alpha-Pu results in a maximum expansion of this lattice and creation of the so-called alpha'-Pu phase. Any kind of ordering of Ga(Al) atoms on the monoclinic lattice results in a shrinking of the lattice constant while the ordered alpha(8)-(Pu-Ga(Al)) configuration yields the smallest lattice constant which is very close to that of pure alpha-Pu. In addition, energetics of the ordered (unrelaxed and relaxed) and disordered configurations is discussed. (c) 2006 Elsevier B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Phys & Adv Technol Directorate, Livermore, CA 94550 USA. Royal Inst Technol, Dept Mat Sci & Engn, SE-10044 Stockholm, Sweden. Res Inst Solid State Phys & Opt, H-1525 Budapest, Hungary. RP Landa, A (reprint author), Lawrence Livermore Natl Lab, Phys & Adv Technol Directorate, POB 808, Livermore, CA 94550 USA. EM landal@llnl.gov NR 17 TC 1 Z9 1 U1 1 U2 3 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 296 EP 299 DI 10.1016/j.jallcom.2006.08.338 PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400058 ER PT J AU Baclet, N Oudot, B Grynszpan, R Jolly, L Ravat, B Faure, P Berlu, L Jomard, G AF Baclet, N. Oudot, B. Grynszpan, R. Jolly, L. Ravat, B. Faure, P. Berlu, L. Jomard, G. TI Self-irradiation effects in plutonium alloys SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE actinide alloys and compounds; radiation effects; crystal structure; positron spectroscopies; molecular dynamics simulation AB The plutonium a-decay leads to the formation of numerous defects, which affect physical properties. This work presents swelling measured both at the macroscopic and microscopic scales on delta-Pu alloys, together with a characterization of defects by positron annihilation spectroscopy (PAS). Swelling seems to depend on deltagen element and/or on alpha-decay rate, and differences are observed between macroscopic and microscopic swelling. PAS results suggest that the concentration of vacancy clusters increases at the early stages of aging. Simulation of displacement cascades performed by molecular dynamics revealed a very long time (a couple of nanoseconds) to reach thermalization, contrary to what is observed in other fee metals. (c) 2006 Elsevier B.V. All rights reserved. C1 CEA, Ctr Valduc, F-21120 Is Sur Tille, France. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. ITG, F-75008 Paris, France. CEA, Ctr Ile France, F-91680 Bruyeres Le Chatel, France. RP Baclet, N (reprint author), CEA, Ctr Valduc, F-21120 Is Sur Tille, France. EM nathalie.baclet@cea.fr NR 14 TC 17 Z9 18 U1 2 U2 7 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 EI 1873-4669 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 305 EP 309 DI 10.1016/j.jallcom.2006.10.156 PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400060 ER PT J AU Uberuaga, BP Valone, SM Baskes, MI AF Uberuaga, Blas Pedro Valone, Steven M. Baskes, M. I. TI Accelerated dynamics study of vacancy mobility in delta-plutonium SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE diffusion; point defects; kinetics; nuclear reactor materials; computer simulations ID EMBEDDED-ATOM POTENTIALS; MINIMUM ENERGY PATHS; ELASTIC BAND METHOD; INFREQUENT EVENTS; SADDLE-POINTS; SIMULATION AB Using parallel-replica dynamics and temperature accelerated dynamics, we extract the rates for mono- and di-vacancy diffusion in delta-plutonium (Pu) using two parameterizations of the modified embedded atom method (MEAM). We find that mono-vacancy diffusion is faster in "pure" Pu than in delta-stabilized Pu. Also, at higher temperatures, the rate of double jumps is nearly the same as single jumps in pure Pu. Since these double jumps contribute four times as much as single jumps to the diffusion constant, models incorporating mono-vacancy diffusion must account for this mechanism to predict mass transport in Pu. While di-vacancies are energetically only slightly preferred compared to mono-vacancies, they are C significantly more mobile. Surprisingly, this enhanced mobility is due to the prefactor; the migration barrier is essentially identical. The di-vacancy dissociates at a rate similar to the mono-vacancy hop rate. (c) 2006 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Uberuaga, BP (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Mail Stop G755, Los Alamos, NM 87545 USA. EM blas@lanl.gov NR 19 TC 19 Z9 19 U1 0 U2 13 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 314 EP 319 DI 10.1016/j.jallcom.2006.10.083 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400062 ER PT J AU Freibert, FJ Dooley, DE Miller, DA AF Freibert, F. J. Dooley, D. E. Miller, D. A. TI Formation and recovery of irradiation and mechanical damage in stabilized delta-plutonium alloys SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE metals; casting; point defects; thermal analysis; anharmonicity ID TEMPERATURE; ALUMINUM; PHASE AB Based on the results of thermal expansion measurements of aged delta-phase Pu-Ga alloys and comparisons with historical bulk density, thermal expansion, and X-ray diffraction data of delta-phase Pu-Al and Pu-Ga alloys, it is being proposed that Pu-solute atom mixed (10 0) dumbbell interstitials, generated by damage processes, induce volumetric swelling and impede delta -> alpha' Martensitic transformation in these alloys. Damage induced volumetric swelling in delta-phase Pu-Al and Pu-Ga alloys is distinct from swelling induced by He bubble formation in that it appears to saturate as a function of damage eventually reaching a constant value which is linearly dependent on solute element atomic concentration. Based on arguments offered in this work, each Pu-solute atom mixed < 100 > dumbbell interstitial creates a strain field of approximately 4.8 times the Pu atomic volume over some 20 A in extent. As the interstitial concentration increases with damage, so does the volumetric swelling up to the point of saturation with a concentration of 1% of the solute atomic concentration. These interstitials appear to anneal out at temperatures of 150 to 200 degrees C. This relatively high thermal stability is possibly due to an altered local bonding environment for the Pu-solute atom interstitial pair and first-nearest neighbors in response to reduced coordination number and lattice strain field. Published by Elsevier B.V. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Freibert, FJ (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM freibert@lanl.gov OI Freibert, Franz/0000-0003-4434-3446 NR 29 TC 11 Z9 12 U1 1 U2 12 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 320 EP 324 DI 10.1016/j.jallcom.2006.10.051 PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400063 ER PT J AU Chung, BW Saw, CK Thompson, SR Quick, TM Woods, CH Hopkins, DJ Ebbinghaus, BB AF Chung, Brandon W. Saw, Cheng K. Thompson, Stephen R. Quick, Terrence M. Woods, Conrad H. Hopkins, David J. Ebbinghaus, Bartley B. TI Analysis of density changes in plutonium observed from accelerated aging using Pu-238 enrichment SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE delta-Pu(Ga); Pu-238-enriched alloys; plutonium aging; dilatometry AB We present dimensional and density changes in an aging plutonium alloy enriched with 7.3 at.% of Pu-238 and reference alloys of various ages. After 45 equivalent years of aging, the enriched alloys at 35 degrees C have swelled in length by 0.048-0.052% and now exhibit a near linear dimensional increase, without void swelling. Based on X-ray diffraction measurements, the lattice expansion by self-irradiation appears to be the primary cause for dimensional changes during the initial 2-3 years of aging. Following the initial transient, the density change is primarily cause by a constant helium in-growth rate as a result of a-particle decay. Published by Elsevier B.V. C1 Lawrence Livermore Natl Lab, MSTD, CMS, Livermore, CA 94551 USA. RP Chung, BW (reprint author), Lawrence Livermore Natl Lab, MSTD, CMS, 7000 East Ave,POB 808, Livermore, CA 94551 USA. EM chung7@llnl.gov RI Chung, Brandon/G-2929-2012 NR 6 TC 7 Z9 7 U1 2 U2 6 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 329 EP 332 DI 10.1016/j.jallcom.2006.10.017 PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400065 ER PT J AU Shilov, VP Yusov, AB Peretrukhin, VF Delegard, CH Gogolev, AV Fedosseev, AM Kazansky, LP AF Shilov, V. P. Yusov, A. B. Peretrukhin, V. F. Delegard, C. H. Gogolev, A. V. Fedosseev, A. M. Kazansky, L. P. TI Oxidation of U(IV) by atmospheric oxygen in pH 1.5-7.4 aqueous solutions SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE U(IV); oxidation; U(VI) ID URANIUM(V); SOLUBILITY; HYDROLYSIS; CONSTANTS AB U(IV) oxidation by oxygen in weakly acidic and neutral solutions at pH 1.5-7.4 has been found to proceed by a pseudo-first order reaction with an induction period dependent on the accumulation of U(VI). The presence or the addition of U(VI) accelerates U(IV) oxidation. The rate constants of U(IV) oxidation by air have been determined. The oxidation mechanism involves the interaction of hydrolyzed U(OH)(2)(2+) species with O-2, HO2, H2O2, and OH center dot, the formation of U(V), and the reaction of U(V) with the listed oxidants. After the accumulation of sufficient U(VI), the reaction U(VI) + U(IV) reversible arrow 2 U(V) becomes rate-controlling. The formation of colloidal polymer solution has been observed at pH 1.5-4 during the oxidation of U(IV) by air, during photochemical reduction of U(VI), or by mixing of U(VI) and U(IV) solutions. The colloidal polymer solution has been found to be stable at 20-100 degrees C under anaerobic conditions. The polymer was isolated from the solution by centrifugation at 5500 x g. Chemical and X-ray photoelectron spectroscopy studies have shown the polymer to be a sparingly soluble mixed U(VI)-U(IV) hydroxide. (c) 2007 Elsevier B.V. All rights reserved. C1 AN Frumkins Inst Phys Chem & Electrochem, Moscow 119991, Russia. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Peretrukhin, VF (reprint author), AN Frumkins Inst Phys Chem & Electrochem, 31 Leninsky Prospect, Moscow 119991, Russia. EM vperet@ipc.rssi.ru OI Delegard, Calvin/0000-0001-6503-9502 NR 23 TC 6 Z9 6 U1 1 U2 8 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 333 EP 338 DI 10.1016/j.jallcom.2007.02.082 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400066 ER PT J AU Mookerji, B Stratman, M Wall, M Siekhaus, WJ AF Mookerji, Bhaskar Stratman, Martin Wall, Mark Siekhaus, Wigbert J. TI The optical constants of gallium stabilized delta-plutonium metal between 0.7 and 4.3 eV measured by spectroscopic ellipsometry using a double-windowed experimental chamber SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE plutonium; uranium; optical constants; n; k; ellipsometry AB A double-windowed vacuum-tight experimental chamber was developed, and calibrated on the spectroscopic ellipsometer over the energy range from 0.7 to 4.5 eV using a silicon wafer with an oxide layer of approximately 25 nm to remove the multiple-window effects from measurements. The plutonium sample (3 mm diameter, 0.1 mm thick) was electro-polished and mounted into the sample chamber in a glove box having a nitrogen atmosphere with less than 100 ppm moisture and oxygen content. The index of refraction n and the extinction coefficient k decrease from 3.7 to 1 and 5.5 to 1.1, respectively as the photon energy increases from 0.7 to 4.3 eV (c) 2007 Elsevier B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Siekhaus, WJ (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM Siekhaus1@llnl.gov NR 8 TC 3 Z9 3 U1 0 U2 3 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 EI 1873-4669 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 339 EP 341 DI 10.1016/j.jallcom.2007.01.165 PG 3 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400067 ER PT J AU Maslennikova, A Bessonov, A Peretroukhine, V Budanova, N Gedgovd, K Bulatov, G Tsivadze, A Delegard, C AF Maslennikova, A. Bessonov, A. Peretroukhine, V. Budanova, N. Gedgovd, K. Bulatov, G. Tsivadze, A. Delegard, C. TI Uranium and U-Zr and U-Ru alloy corrosion rates in the transpassive state SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE uranium; alloys; corrosion; electrochemical AB Electrochemical studies of reactor-grade uranium metal and its alloys with Zr and Ru in neutral electrolyte (0.1 M NaClO4, pH 3.0-9.0) in the potential region close to uranium's transpassivation threshold were performed. Transpassivation potentials from 320 mV/Ag/AgCl (U-1.3 at.% Zr) to 470 mV (U-10.5 at.% Ru) were found to be weakly affected by added alloying element concentration and electrolyte pH. Comparison of I-t curves registered on U metal, U-1.3 at.% Zr, and -1.2 at.% Ru electrodes indicate that the electrochemical oxidation rate of alloyed uranium was lower than that of pure U metal. The difference of the electrochemical oxidation rates was dependent on electrolyte pH. The calculated corrosion rates of uranium metal and alloy increased from 0.89 mg cm(-2) h(-1) (U-1.3 at.% Zr, E = 300 mV/Ag/AgCl) to 40.4 mg cm(-2) h(-1) (U metal, E=600mV/Ag/AgCl) and were found to be independent of alloy addition and electrolyte pH. The contribution of spallation of non-oxidized uranium species from the electrode C1 Russian Acad Sci, Inst Phys Chem & Electrochem, Moscow 119991, Russia. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Peretroukhine, V (reprint author), Russian Acad Sci, Inst Phys Chem & Electrochem, 31 Leninsky Prospect, Moscow 119991, Russia. EM vperet@ipc.rssi.ru RI Tsivadze, Aslan/G-7422-2014; OI Delegard, Calvin/0000-0001-6503-9502 NR 23 TC 1 Z9 1 U1 0 U2 6 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 345 EP 351 DI 10.1016/j.jallcom.2007.06.078 PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400069 ER PT J AU Jantunen, KC Scott, BL Kiplinger, JL AF Jantunen, Kimberly C. Scott, Brian L. Kiplinger, Jaqueline L. TI A comparative study of the reactivity of Zr(IV), Hf(IV) and Th(IV) metallocene complexes: Thorium is not a Group IV metal after all SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE thorium; zirconium; hafnium; group IV metals; Grignard alkylating reagents ID C-H ACTIVATION; RAY CRYSTAL-STRUCTURE; MOLECULAR-STRUCTURE; CARBON-MONOXIDE; HYDRIDE DERIVATIVES; MIGRATORY INSERTION; ALKYLIDENE COMPLEX; BOND ACTIVATION; ZIRCONIUM; HAFNIUM AB Thorium(TV) is often considered to show similar chemistry to Group IV transition metals. However, studies in our laboratory have shown that this generalization is incorrect. This report presents direct comparisons where the Th(IV) metallocene complexes (C5Me5)(2)ThR2 (R = CH3, Ph, CH2Ph) undergo unique chemical reactivity with pyridine, 2-picoline, pyridine N-oxide, 2-picoline N-oxide, and benzonitrile, while the Group IV metal analogues (C5R5)(2)M(CH3)(2) (R = H, CH3; M = Zr, Hf) do not. We also report revised high-yield syntheses for the zirconium and hafnium starting materials, (C5H)(2)MR2 (M = Zr, Hf; R = CH3, Ph, CH2Ph), using Grignard reagents for alkylation in addition to the X-ray crystal structures Of (C5H5)(2)Hf(Ph)(2) and (C5H5)(2)Hf(CH2Ph)(2) (c) 2007 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Kiplinger, JL (reprint author), Los Alamos Natl Lab, Mail Stop J514, Los Alamos, NM 87545 USA. EM kiplinger@lanl.gov RI Kiplinger, Jaqueline/B-9158-2011; Scott, Brian/D-8995-2017 OI Kiplinger, Jaqueline/0000-0003-0512-7062; Scott, Brian/0000-0003-0468-5396 NR 73 TC 18 Z9 18 U1 0 U2 8 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 363 EP 368 DI 10.1016/j.jallcom.2007.03.138 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400072 ER PT J AU Ingram, KIM Kaltsoyannis, N Gaunt, AJ Neu, MP AF Ingram, Kieran I. M. Kaltsoyannis, Nikolas Gaunt, Andrew J. Neu, Mary P. TI Covalency in the f-element-chalcogen bond computational studies of [M(N(EPH2)(2))(3)] (M = La, U, Pu; E = O, S, Se, Te) SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE actinide molecules; DFT; electronic structure; covalency; separation ID MOLECULAR-ORBITAL METHODS; TRANSITION-STATE METHOD; TRIVALENT ACTINIDE; COMPLEXES; ENERGIES AB The geometric and electronic structures of the title complexes have been studied using gradient corrected density functional theory. Excellent agreement is observed between computed r(M-E) and experimental values in analogous Pr-i complexes. Natural charge analysis indicates that the M-E bond becomes less ionic in the order O > S > S > Te, and that this decrease is largest for U and smallest for La. Natural and Mulliken overlap populations suggest increasing M-E covalency as group 16 is descended, and also in the order La < Pu < U for a given chalcogen. Increased covalency down group 16 arises from increased metal d (and s) participation in the bonding, while that from La to Pu and U stems from larger 5f orbital involvement compared with 4f. (c) 2007 Elsevier B.V. All rights reserved. C1 UCL, Dept Chem, London WC1H 0AJ, England. Los Alamos Natl Lab, Div Chem, C IIAC, Los Alamos, NM 87545 USA. RP Kaltsoyannis, N (reprint author), UCL, Dept Chem, 20 Gordon St, London WC1H 0AJ, England. EM n.kaltsoyannis@ucl.ac.uk OI Kaltsoyannis, Nikolas/0000-0003-0293-5742; Gaunt, Andrew/0000-0001-9679-6020 NR 26 TC 32 Z9 32 U1 3 U2 9 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 369 EP 375 DI 10.1016/j.jallcom.2007.03.048 PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400073 ER PT J AU Reed, DT Pepper, SE Richmann, MK Smith, G Deo, R Rittmann, BE AF Reed, Donald T. Pepper, Sarah E. Richmann, Michael K. Smith, Geof Deo, Randhir Rittmann, Bruce E. TI Subsurface bio-mediated reduction of higher-valent uranium and plutonium SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE actinide alloys and compounds ID PRECIPITATION; IRON; BIOREMEDIATION; SPECIATION; BACTERIA; ACTINIDE; KINETICS; FE(III) AB Bio-mediated reduction of multivalent actinide contaminants plays an important role in their fate and transport in the subsurface. To initiate the process of extending recent progress in uranium biogeochemistry to plutonium, a side-by-side comparison of the bioreduction of uranyl and plutonyl species was conducted with Shewanella alga BrY, a facultative metal-reducing bacterium that is known to enzymatically reduce uranyl. Uranyl was reduced in our system, consistent with literature reports, but we have noted a strong coupling between abiotic and biotic processes and observe that non-reductive pathways to precipitation typically exist. Additionally, a key role of biogenic Fe2+, which is known to reduce uranyl at low pH, is suggested. In contrast, residual organics, present in biologically active systems, reduce Pu(VI) species to Pu(V) species at near-neutral pH. The predominance of relatively weak complexes Of PuO2+ is an important difference in how the uranyl and plutonyl species interacted with S. alga. Pu(V) also led to increased toxicity towards S. alga and is also more easily reduced by microbial activity. Biogenic Fe2+, produced by S. alga when Fe(III) is present as an electron acceptor, also played a key role in understanding redox controls and pathways in this system. Overall, the bioreduction of plutonyl is observed under anaerobic conditions, which favors its immobilization in the subsurface. Understanding the mechanism by which redox control is established in biologically active systems is a key aspect of remediation and immobilization strategies for actinides when they are present as subsurface contaminants. (c) 2007 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Div Earth & Environm Sci, Carlsbad, NM 88220 USA. New Mexico State Univ, Dept Biol, Las Cruces, NM 88003 USA. Arizona State Univ, Ctr Environm Biotechnol, Tempe, AZ 85287 USA. RP Reed, DT (reprint author), Los Alamos Natl Lab, Div Earth & Environm Sci, Carlsbad, NM 88220 USA. EM dreed@lanl.gov NR 25 TC 14 Z9 14 U1 3 U2 11 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 376 EP 382 DI 10.1016/j.jallcom.2007.06.015 PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400074 ER PT J AU Stan, M Ramirez, JC Cristea, P Hu, SY Deo, C Uberuaga, BP Srivilliputhur, S Rudin, SP Wills, JM AF Stan, M. Ramirez, J. C. Cristea, P. Hu, S. Y. Deo, C. Uberuaga, B. P. Srivilliputhur, S. Rudin, S. P. Wills, J. M. TI Models and simulations of nuclear fuel materials properties SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE actinide alloys and compounds; nuclear reactor materials; oxide materials; microstructure; point defects; thermodynamic properties; thermochemistry; computer simulations; molecular dynamics simulations; thermodynamic modeling ID INITIO MOLECULAR-DYNAMICS; OXYGEN SELF-DIFFUSION; PHASE-FIELD MODEL; URANIUM-DIOXIDE; NEUTRON-DIFFRACTION; PHONON DISPERSIONS; FORCE-CONSTANTS; SYSTEMS; METALS; OXIDES AB To address the complexity of the phenomena that occur in a nuclear fuel element, a multi-scale method was developed. The method incorporates theory-based atomistic and continuum models into finite element simulations to predict heat transport phenomena. By relating micro and nanoscale models to the macroscopic equilibrium and non-equilibrium simulations, the predictive character of the method is improved. The multi-scale approach was applied to calculations of point defect concentration, helium bubbles formation, oxygen diffusivity, and simulations of heat and mass transport in UO2+x. (c) 2007 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Bucharest, Fac Phys, Bucharest, Romania. RP Stan, M (reprint author), Los Alamos Natl Lab, PO Box 1663, Los Alamos, NM 87545 USA. EM mastan@lanl.gov OI HU, Shenyang/0000-0002-7187-3082 NR 43 TC 29 Z9 29 U1 2 U2 20 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 EI 1873-4669 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 415 EP 423 DI 10.1016/j.jallcom.2007.01.102 PG 9 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400081 ER PT J AU Chang, GS AF Chang, Gray S. TI Weapons-grade MOX fuel burnup characteristics in advanced test reactor irradiation SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE weapons-grade mixed oxide fuel; MCNP; MCWO; ORIGEN-2 AB Mixed Oxide (MOX) test capsules prepared with weapons-derived plutonium have been irradiated to a burnup of 50 GWd/t. The MOX fuel was fabricated at Los Alamos National Laboratory (LANL) by a master-mix process and has been irradiated in the Advanced Test Reactor (ATR) at the Idaho National Laboratory (INL). Previous withdrawals of the same fuel have occurred at 9, 21, 30, 40, and 50 GWd/t. Oak Ridge National Laboratory (ORNL) manages this test series for the Department of Energy's Fissile Materials Disposition Program (FMDP). A UNIX BASH (Bourne Again SHell) script CMO has been written and validated at the INL to couple the Monte Carlo transport code MCNP with the depletion and buildup code ORIGEN-2 (CMO). The new Monte Carlo burnup analysis methodology in this paper consists of MCNP coupling through CMO with ORIGEN-2 (MCWO). MCWO is a fully automated tool that links the Monte Carlo transport code MCNP with the radioactive decay and burnup code ORIGEN-2. The fuel burnup analyses presented in this study were performed using MCWO. MCWO analysis yields time-dependent and neutron-spectrum-dependent minor actinide and Pu concentrations for the ATR small I-irradiation test position. The purpose of this paper is to validate both the Weapons-Grade Mixed Oxide (WG-MOX) test assembly model and the new fuel burnup analysis methodology by comparing the computed results against the neutron monitor measurements and the irradiated WG-MOX post-irradiation examination (PIE) data. Published by Elsevier B.V. C1 Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Chang, GS (reprint author), Idaho Natl Lab, PO Box 1625, Idaho Falls, ID 83415 USA. EM gray.chang@inl.gov NR 12 TC 2 Z9 2 U1 1 U2 3 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 434 EP 437 DI 10.1016/j.jallcom.2007.02.158 PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400084 ER PT J AU Fillaux, C Den Amer, C Guillaumont, D Shuh, DK Tyliszczak, T AF Fillaux, Clara Den Amer, Christophe Guillaumont, Dominique Shuh, David K. Tyliszczak, Tolek TI Investigation of actinide compounds by coupling X-ray absorption spectroscopy and quantum chemistry SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE actinides; XANES spectroscopy; quantum chemistry ID L-III; URANYL; EDGES AB X-ray absorption near edge structure (XANES) is a sensitive probe of the electronic structure, and can provide information about the valency, the unoccupied electronic states and the effective charge of the absorbing atom. In this work, XANES spectra are reported at the uranium L-3, M-5 thresholds and used to determined structural and electronic properties of actinide compounds. In addition, ligand K-edge spectra are analysed in order to better characterize the nature of the actinide-ligand bond. Experimental data analysis by simulating the absorption edge allows to compare the coordination polyhedrons, identify the electronic transitions and calculate the density of states associated with the absorption spectra. Moreover, a comparison between simulations of the experimental spectra and quantum chemical calculations is performed, in order to improve the model describing the final states and better understand the bonding properties of the cation with the ligand. (c) 2007 Elsevier B.V. All rights reserved. C1 CEA Marcoule, DEN, DRPC, SCPS, F-30207 Bagnols Sur Ceze, France. Lawrence Berkeley Natl Lab, Berkeley, CA USA. RP Fillaux, C (reprint author), CEA Marcoule, DEN, DRPC, SCPS, F-30207 Bagnols Sur Ceze, France. EM clara.fillaux@cea.fr RI Guillaumont, Dominique/H-2508-2015 OI Guillaumont, Dominique/0000-0002-9329-5623 NR 10 TC 12 Z9 12 U1 0 U2 13 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 443 EP 446 DI 10.1016/j.jallcom.2007.04.021 PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400086 ER PT J AU Balasubramanian, K Felter, TE Anklam, T Trelenberg, TW McLean, W AF Balasubramanian, K. Felter, Thomas E. Anklam, Thomas Trelenberg, Thomas W. McLean, William, II TI Atomistic level relativistic quantum modelling of plutonium hydrogen reaction SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE plutonium hydride; relativistic quantum modelling; PuH2; PuH3; PuH4 ID POTENTIAL-ENERGY SURFACES; URANIUM HYDRIDE MOLECULES; MATRIX INFRARED-SPECTRA; ELECTRONIC-STRUCTURE; SOLID ARGON; IR-SPECTRA; KINETICS; METAL; ATOMS; PRODUCTS AB We have computed the electronic structural and spectroscopic properties for the low-lying electronic states of plutonium hydrides, PuHn (n = 2-4) and their ions which provide significant insight into plutonium hydriding reactions. We have employed a relativistic quantum technique that uses relativistic effective core potentials on Pu. Our computations show that whereas PuH2 and PuH3 form stable C-2v and C-3v structures which exhibit Pu-H direct chemical bonds, PuH4 becomes a complex of PuH2 with a partially dissociated H-2. Our computations show that the H-2 dissociation is assisted by PuH2. Electron density contour maps including Laplacians of charge densities support that the Pu site of the hydrided species is depleted substantially in charge thereby causing catalysis of further hydriding. The IR spectra show that the H-2 sorbed on PuH2 is partially dissociated. We have also provided comparison of our results with corresponding computations on uranium hydrides. (c) 2006 Elsevier B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. RP Balasubramanian, K (reprint author), Lawrence Livermore Natl Lab, Chem & Mat Sci Directorate, Livermore, CA 94550 USA. EM balu@llnl.gov NR 52 TC 9 Z9 9 U1 1 U2 15 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 447 EP 452 DI 10.1016/j.jallcom.2006.11.068 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400087 ER PT J AU Zhang, ZC Bottenus, B Clark, SB Tian, GX Zanonato, P Rao, LF AF Zhang, Zhicheng Bottenus, Brienne Clark, Sue B. Tian, Guoxin Zanonato, PierLuigi Rao, Linfeng TI Complexation of gluconic acid with Nd(III) in acidic solutions: A thermodynamic study SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE gluconic acid; neodymium; complexation; stability constant; enthalpy ID DEGREES-C; HYDROLYSIS; PRASEODYMIUM(III); URANIUM(VI); PROTONATION; EQUILIBRIA; CONSTANTS; WATER AB Thermodynamic properties of gluconic acid (HGH(4)(aq)) complexation with Nd(III) have been studied in acidic solutions at 25 degrees C and 1.0M NaClO4 by potentiometry, spectrophotometry and calorimetry. Three Nd(III)/gluconate complexes were identified in solutions of pC(H) 2.5-4.5. The formation constants and the complexation enthalpies are: log beta(1) =2.55 +/- 0.05 and Delta H-1 degrees = -(8.22 +/- 0.23) kJ mol(-1) for Nd(GH(4))(2+), log beta(2)=4.45 +/- 0.05and Delta H-2 degrees = -(15.3 +/- 0.4) kJ mol(-1) for Nd(GH(4))(2)(+), and log beta(3) = 5.60 +/- 0.15 and Delta H-3 degrees = -(24.6 +/- 0.6) kJ mol(-1) for Nd(GH(4))(3)(aq). The thermodynamic parameters indicate that gluconic acid, like other alpha-hydroxycarboxylic acids, forms stronger complexes with Nd(III) than simple monocarboxylic acids, likely by the participation of the alpha-hydroxyl group during complexation. The same type of binding appears to occur with Ca2+ and NpO2+ as the 1:1 stability constants are linearly correlated with the effective cationic charges of the metal cations. (c) 2007 Elsevier B.V. All rights reserved. C1 Washington State Univ, Pullman, WA 99164 USA. Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Univ Padua, Dipartimento Sci Chim, I-35131 Padua, Italy. RP Zhang, ZC (reprint author), Washington State Univ, Pullman, WA 99164 USA. EM lxzhang@wsu.edu RI Zhang, Zhicheng/B-3887-2010 NR 28 TC 6 Z9 6 U1 3 U2 22 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 470 EP 476 DI 10.1016/j.jallcom.2007.01.034 PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400091 ER PT J AU Kiplinger, JL Scott, BL Schelter, EJ Tournear, JAPD AF Kiplinger, Jaqueline L. Scott, Brian L. Schelter, Eric J. Tournear, Jaime A. Pool Davis TI sp(3) versus sp(2) C-H bond activation chemistry of 2-picoline by Th(IV) and U(IV) metallocene complexes SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE thorium; uranium; sp(2) and sp(3) C-H bond activation; 2-picoline; organometallic ID TUNGSTEN ALKYLIDENE COMPLEXES; BIS(KETIMIDO) COMPLEXES; ELECTRONIC-STRUCTURE; EXCITED-STATES; ARYL BONDS; THORIUM(IV); URANIUM(IV); REACTIVITY; PRODUCTS; ETA(2)-PYRIDYL AB The thorium alkyl complex (C5Me5)(2)Th(CH3)(2) and 2-picoline react to give preferential sp(3) C-H bond activation in the presence of a more reactive Sp(2) C-H bond, while the analogous uranium complex, (C5Me5)(2)U(CH3)(2), reacts with only the ortho 2-picoline sp(2) C-H bond, as originally expected. Herein, we describe this competitive Sp(3) versus Sp(2) C-H bond activation chemistry with 2-picoline and (C5Me5)(2)An(CH3)(2) (An = Th, U) and provide experimental observations that suggest different mechanistic reaction pathways are operative for the uranium and thorium complexes. We also report the X-ray crystal structures for the thorium picolyl complex, (C5Me5)(2)Th(CH3)[eta(2)-(N,C)-2-CH2-NC5H3], and the eta(2)-pyridyl complexes (C5Me5)(2)Th(CH3)[eta(2)-(N,C)-6-CH3-NC5H3] and (C5Me5)(2)U(CH3)[eta(2)-(N,C-6-CH3-NC(5)H3]. (c) 2007 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Kiplinger, JL (reprint author), Los Alamos Natl Lab, Mail Stop J514, Los Alamos, NM 87545 USA. EM kiplinger@lanl.gov RI Kiplinger, Jaqueline/B-9158-2011; Schelter, Eric/E-2962-2013; Scott, Brian/D-8995-2017 OI Kiplinger, Jaqueline/0000-0003-0512-7062; Scott, Brian/0000-0003-0468-5396 NR 45 TC 25 Z9 25 U1 0 U2 8 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 477 EP 482 DI 10.1016/j.jallcom.2007.04.272 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400092 ER PT J AU Francis, AJ AF Francis, A. J. TI Microbial mobilization and immobilization of plutonium SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE plutonium; bacteria; oxidation; reduction; mobilization; immobilization ID TEST-SITE; BACTERIA; WATER; SOIL; BIOREMEDIATION; MICROORGANISMS; SOLUBILIZATION; RADIONUCLIDES; SIDEROPHORES; DISSOLUTION AB Microorganisms present in transuranic (TRU)- and mixed-wastes and in contaminated soils can bring about the transformation of plutonium (Pu) and affect its stability and mobility. Microbial dissolution of Pit is due to the production of sequestering agents, enzymatic oxidation of Pu(IV) to Pu(V) and Pu(VI) under aerobic conditions, or reduction of Pu(IV) to Pu(III) under anaerobic conditions. Immobilization is due to reduction of Pu(VI) or Pu(V) to Pu(IV), bioaccumulation extracellularly or intracellularly, and bioprecipitation. Disproportionation reactions of Pu(V) can also generate soluble Pu(VI) and insoluble Pu(IV) species. Plutonium is transported predominantly as colloids but microbes under appropriate conditions can affect the formation or destabilization of colloids. In this paper, the abundance of microbes in Pu contaminated soils and radioactive wastes and the mechanisms microbial dissolution and immobilization of Pu are reviewed. (c) 2007 Elsevier B.V. All rights reserved. C1 Dept Environm Sci, Brookhaven Natl Lab, Upton, NY 11973 USA. RP Francis, AJ (reprint author), Dept Environm Sci, Brookhaven Natl Lab, Upton, NY 11973 USA. EM francis1@bnl.gov NR 37 TC 20 Z9 20 U1 1 U2 14 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 500 EP 505 DI 10.1016/j.jallcom.2007.01.132 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400097 ER PT J AU Lucchini, JF Borkowski, M Richmann, MK Ballard, S Reed, DT AF Lucchini, Jean-Francois Borkowski, Marian Richmann, Michael K. Ballard, Sally Reed, Donald T. TI Solubility of Nd3+ and UO22+ in WIPP brine as oxidation-state invariant analogs for plutonium SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE actinide alloys and compounds ID HYDROLYSIS REACTIONS; AM(III) AB A general status of the Waste Isolation Pilot Plant (WIPP), as it relates to plutonium chemistry and inventory, is given. We also report on the results of two redox-invariant studies, Nd3+ and UO22+, that are being investigated as analogs for Pu(III) and Pu(VI) chemistry under WIPP-relevant conditions. The WIPP repository is the only working repository for TRU waste in the world and continues to perform above expectations. Recertification of the WIPP was recently received in April 2006 and plutonium research to support these ongoing recertification activities continues. As oxidation-state analogs for plutonium, the solubility of uranium(VI) and neodymium(III) were established in long-term experiments as a function Of pC(H+) for two WIPP simulated brines that bracket the range in brine composition expected. The solubility of uranium(VI) measured at high pC(H+) in the absence of carbonate was similar to 2 x 10(-7) M in ERDA-6 brine. This is almost 100 times lower than the uranium solubility published in the literature for carbon dioxide-free systems and is almost four orders of magnitude lower than current assumptions in the WIPP Performance Assessment (PA). The Nd3+ solubility determined was similar to 1 x 10(-7) M. There was essentially no significant effect of carbonate on the solubility measured for Nd3+. Taking into consideration experimental errors in our data, the neodymium solubilities determined in the present work are in good agreement with the solubilities calculated by WIPP PA. (c) 2007 Elsevier B.V. All rights reserved. C1 Div Earth & Environm Sci, Los Alamos Natl Lab, Carlsbad, NM 88220 USA. New Mexico State Univ, Carlsbad Environm Monitoring & Res Ctr, Carlsbad, NM 88220 USA. RP Borkowski, M (reprint author), Div Earth & Environm Sci, Los Alamos Natl Lab, Carlsbad, NM 88220 USA. EM marian@lanl.gov NR 16 TC 8 Z9 8 U1 0 U2 10 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 506 EP 511 DI 10.1016/j.jallcom.2007.01.128 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400098 ER PT J AU Banik, NL Buda, RA Burger, S Kratz, JV Trautmann, N AF Banik, N. L. Buda, R. A. Buerger, S. Kratz, J. V. Trautmann, N. TI Speciation and interactions of plutonium with humic substances and kaolinite in aquifer systems SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE plutonium; speciation; humic substances; kaolinite ID COMPLEXATION; ACID; GROUNDWATER; MODEL; ION AB The speciation of plutonium (Pu) in contact with humic substances (HS) and kaolinite has been performed in aquifer systems. Mainly the redox behavior, complexation, and sorption of plutonium are discussed here. The redox behavior of Pu(VI) in contact with HS was studied and it was found that Pu(VI) is reduced to Pu(Ill) and Pu(IV) within a couple of weeks. The complexation constants (log beta(LC)) of Pu(III) and Pu(IV) with HS have been determined by means of the ultrafiltration method. Furthermore, the sorption of Pu(III) and Pu(IV) onto kaolinite has been investigated as a function of pH by batch experiments under aerobic and anaerobic conditions. (c) 2007 Elsevier B.V. All rights reserved. C1 Univ Mainz, Inst Kernchem, D-55099 Mainz, Germany. Oak Ridge Natl Lab, Transuraium Res Inst, Chem & Isotope Mass Spectrometry Grp, Oak Ridge, TN 37831 USA. RP Banik, NL (reprint author), Univ Mainz, Inst Kernchem, D-55099 Mainz, Germany. EM banik@uni-mainz.de; JVKratz@uni-mainz.de NR 20 TC 13 Z9 13 U1 1 U2 11 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 522 EP 525 DI 10.1016/j.allcom.2006.12.048 PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400101 ER PT J AU Farr, JD Neu, MP Schulze, RK Honeyman, BD AF Farr, John Douglas Neu, Mary P. Schulze, Roland K. Honeyman, Bruce D. TI Plutonium uptake by brucite and hydroxylated periclase SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE actinide compounds; surfaces and interfaces; liquid-solid reactions; XPS; RBS ID SOLID-SOLUTION; SORPTION; SURFACE; SOLUBILITY; CALCITE; DISSOLUTION; ADSORPTION; OXIDATION; PU; MODEL AB Batch adsorption experiments and spectroscopic investigations consistently show that aqueous Pu(IV) is quickly removed from solution and becomes incorporated in a brucite or hydroxylated MgO surface to a depth of at least 50 mu, primarily as Pu([V) within a pH range of 8.5-12.5, and is unaffected by the presence of the organic ligand, citrate. X-ray photoelectron spectroscopy (XPS), X-ray absorption fine structure (XAFS) and Rutherford backscattering spectroscopy (RBS) were used to estimate Pu penetration depth and provide information about its chemical state. (C) 2006 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Los Alamos, NM 87544 USA. Colorado Sch Mines, Golden, CO 80401 USA. RP Farr, JD (reprint author), Los Alamos Natl Lab, MST-16,MS G721, Los Alamos, NM 87544 USA. EM d.farr@lanl.gov OI Schulze, Roland/0000-0002-6601-817X NR 26 TC 11 Z9 11 U1 1 U2 8 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 533 EP 539 DI 10.1016/j.jallcom.2006.11.176 PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400104 ER PT J AU LoPresti, V Conradson, SD Clark, DL AF LoPresti, V. Conradson, S. D. Clark, D. L. TI XANES identification of plutonium speciation in RFETS samples SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE actinide alloys and compounds; oxide materials; atomic scale structure; electronic properties; EXAFS ID PUO2+X; WATER AB Using primarily X-ray absorption near edge spectroscopy (XANES) with standards run in tandem with samples, probable plutonium speciation was determined for 13 samples from contaminated soil, acid-splash or fire-deposition building interior surfaces, or asphalt pads from the Rocky Flats Environmental Technology Site (RFETS). Save for extreme oxidizing situations, all other samples were found to be of Pu(lV) speciation, supporting the supposition that such contamination is less likely to show mobility off site. EXAFS analysis conducted on two of the 13 samples supported the validity of the XANES features employed as determinants of the plutonium valence. Published by Elsevier B.V. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP LoPresti, V (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM vcl@lanl.gov RI Clark, David/A-9729-2011 NR 9 TC 7 Z9 7 U1 1 U2 10 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 540 EP 543 DI 10.1016/j.jallcom.2006.10.101 PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400105 ER PT J AU Westphal, BR Price, JC Vaden, D Benedict, RW AF Westphal, B. R. Price, J. C. Vaden, D. Benedict, R. W. TI Engineering-scale distillation of cadmium for actinide recovery SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE actinide alloys; vapor deposition ID SPENT NUCLEAR-FUEL; URANIUM AB During the recovery of actinide products from spent nuclear fuel, cadmium is separated from the actinide products by a distillation process. Distillation occurs in an induction-heated furnace called a cathode processor capable of processing kilogram quantities of cadmium. Operating parameters have been established for sufficient recovery of the cadmium based on mass balance and product purity. A cadmium distillation rate similar to previous investigators has also been determined. The development of cadmium distillation for spent fuel treatment enhances the capabilities for actinide recovery processes. (C) 2007 Elsevier B.V. All rights reserved. C1 Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Westphal, BR (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM brian.westphal@inl.gov NR 14 TC 12 Z9 12 U1 0 U2 3 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 561 EP 564 DI 10.1016/j.jallcom.2007.02.072 PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400110 ER PT J AU Alwin, JL Coriz, F Danis, JA Bluhm, BK Wayne, DW Gray, DW Ramsey, KB Costa, DA Bluhm, EA Nixon, AE Garcia, DJ Roybal, JD Saba, MT Valdez, JA Martinez, D Martinez, JR Martinez, CM Martinez, YA Martinez, CM AF Alwin, Jennifer Louise Coriz, Fawn Danis, Jan A. Bluhm, Brian K. Wayne, David W. Gray, Devin W. Ramsey, Kevin B. Costa, David A. Bluhm, Elizabeth A. Nixon, Archie E. Garcia, Daniel J. Roybal, Judy D. Saba, Mark T. Valdez, Jose A. Martinez, David Martinez, Joe R. Martinez, Cathy M. Martinez, Yvonne A. Martinez, Carl M. TI Plutonium oxide polishing for MOX fuel fabrication SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE anion exchange; plutonium purification; precipitation; oxalate; calcination; MOX fuel AB Los Alamos National Laboratory (LANL) successfully polished 120 kg of plutonium from surplus nuclear weapons for the European Mixed Oxide (MOX) Lead Test Assembly (LTA), managed by Duke, COGEMA, and Stone & Webster (DCS). The purified oxide was fabricated into fuel pellets, which comprised the LTAs. The LTAs have been inserted into the Catawba (SC, USA) nuclear reactor, where they are presently being used to generate electricity. The material used in the MOX LTA represents the first plutonium oxide from LANL to be polished under the quality requirements set forth by the Nuclear Regulatory Commission (NRC). In addition, the MOX project has been hailed as the "largest single nonproliferation project in history" by US Ambassador Linton Brooks (23/9/04). The process flow for PuO2 purification was based on aqueous recovery that included various unit operations (dissolution, ion exchange, oxalate precipitation, and calcination). Data from a variety of chemical and physical analyses demonstrate product quality and process consistency. Further process optimization experiments will be performed prior to polishing an additional 330 kg of PuO2 for the Mixed Oxide Fuel Fabrication Facility (MFFF) at Savannah River Site. During LTA production in 2004, approximately 500 L of 7 M nitric acid was used for washing impurities from the plutonium in order to meet product purity specifications. The majority of this acid was sent to the LANL Radioactive Liquid Waste Treatment Facility (TA-50) as effluent. Optimization experiments during 2006 and 2007 will investigate the use of recycled HNO3 for PuO washing and ion exchange. If successful, aqueous polishing processes will re-use almost all of the nitric acid that would otherwise have been sent to TA-50. In addition, an overall reduction in the volume of nitric acid used during ion exchange will be tested. The use of new Inconel calcination boats will also be verified. Additional process optimization activities will be conducted to validate the use of 100% quaternized Reillex ion exchange resin. Qualification exercises will include a series of process runs, followed by chemical analyses to assess product oxide impurity levels. Once the optimized processes have been qualified, the production phase of the project will begin. (C) 2007 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Alwin, JL (reprint author), Los Alamos Natl Lab, Box 1663 MS E 511, Los Alamos, NM 87545 USA. EM jalwin@lanl.gov NR 6 TC 2 Z9 2 U1 1 U2 8 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 565 EP 568 DI 10.1016/j.jallcom.2007.04.271 PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400111 ER PT J AU Crawford, CL Marra, JC Bibler, NE AF Crawford, C. L. Marra, J. C. Bibler, N. E. TI Glass fabrication and product consistency testing of lanthanide borosilicate glass for plutonium disposition SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE plutonium disposition; lanthanide borosilicate glass; leach testing AB The Department of Energy Office of Environmental Management (DOE/EM) plans to conduct the Plutonium Disposition Project at the Savannah River Site (SRS) in Aiken, SC, to disposition excess weapons-usable plutonium. A plutonium glass waste form is a leading candidate for immobilization of the plutonium for subsequent disposition in a geologic repository. The objectives of this present task were to fabricate plutonium-loaded lanthanide borosilicate (LaBS) Frit B glass and perform testing to provide near-term data that will increase confidence that LaBS glass product is suitable for disposal in the proposed Federal Repository. Specifically, testing was conducted in an effort to provide data to Yucca Mountain Project (YMP) personnel for use in performance assessment calculations. Plutonium-containing LaBS glass with the Frit B composition with a 9.5 wt% PuO2 loading was prepared for testing. Glass was prepared to support glass durability testing via the ASTM product consistency testing (PCT) at Savannah River National Laboratory (SRNL). The glass was characterized with X-ray diffraction (XRD) and scanning electron microscopy coupled with energy dispersive spectroscopy (SEM/EDS) prior to performance testing. This characterization revealed some crystalline PuO2 inclusions with disk-like morphology present in the as-fabricated, quench-cooled glass. A series of PCTs was conducted at SRNL with varying exposed surface area and test durations. Filtered leachates from these tests were analyzed to determine the dissolved concentrations of key elements. The leachate solutions were also ultrafiltered to quantify colloid formation. Leached solids from select PCTs were examined in an attempt to evaluate the Pu and neutron absorber release behavior from the glass and to investigate formation of alteration phases on the glass surface. A series of PCTs was conducted at 90 degrees C in ASTM Type I water to compare the Pu LaBS Frit B glass durability to current requirements for high level waste (HLW) glass in a geologic repository. The PCT (7-day static test with powdered glass) results on the Pu-containing LaBS Frit B glass at SA/V of approximate to 2000 m(-1) showed that the glass was very durable with an average normalized elemental release value for boron of 0.013 g/m(2). This boron release value is approximate to 640x lower than normalized boron release from current environmental assessment (EA) glass used for repository acceptance. The PCT-B (7-, 14-, 28- and 56-day, static test with powdered glass) normalized elemental releases were similar to the normalized elemental release values from PCT-A testing, indicating that the LaBS Frit B glass is very durable as measured by the PCT. Normalized plutonium releases were essentially the same within the analytical uncertainty of the lCP-MS methods used to quantify plutonium in the 0.45 mu m-filtered leachates and ultra-filtered leachates, indicating that colloidal plutonium species do not form under the PCT conditions used in this study. Published by Elsevier B.V. C1 Savannah River Natl Lab, Aiken, SC 29808 USA. RP Crawford, CL (reprint author), Savannah River Natl Lab, Aiken, SC 29808 USA. EM charles.crawford@srs.gov NR 18 TC 16 Z9 18 U1 0 U2 11 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 569 EP 579 DI 10.1016/j.jallcom.2007.02.164 PG 11 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400112 ER PT J AU Kopyrin, AA Afonin, MA Todd, T AF Kopyrin, A. A. Afonin, M. A. Todd, T. TI Separation of similar elements and isotopes separation in non-stationary conditions SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE rare earth; kinetics; isotope separation ID EXTRACTION AB The new separation extraction method was created based on oscillatory extraction/stripping process in two extractors coupled by bulk liquid membrane (LM). The experimental set-up to investigate the kinetics of non-stationary processes was built in Saint Petersburg State Institute of Technology at Rare Earth Department. To induce the oscillatory extraction-stripping process the cyclic Belousov-Zhabotinsky (BZ) reaction or cyclic electrochemical oxidation-reduction was used. The experimental evidences of cerium and neodymium isotopes separation were obtained. The separation of (142)Cc and Ce-142 isotopes between aqueous phases of two extractors coupled by bulk LM in the experiments with cyclic chemical oxidation/reduction with enrichment factor about 2.5% was observed. In the same conditions the separation of the Nd isotopes (heavy isotopes of Nd: Nd-144, Nd-145, Nd-146, Nd-148 and Nd-150 from the light isotope: Nd-143) in the same experiment with enrichment factor about 0.7-1.4% was observed. (C) 2007 Elsevier B.V. All rights reserved. C1 St Petersburg Inst Technol, St Petersburg 190013, Russia. Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Afonin, MA (reprint author), St Petersburg Inst Technol, 26 Moskovsky Av, St Petersburg 190013, Russia. EM afonin1@lti-gti.ru RI Afonin, Mikhail/E-5962-2014 OI Afonin, Mikhail/0000-0001-7993-9528 NR 5 TC 0 Z9 0 U1 0 U2 3 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 614 EP 617 DI 10.1016/j.jallcom.2007.04.226 PG 4 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400121 ER PT J AU Wilkerson, MP Arrington, CA Berg, JM Scott, BL AF Wilkerson, Marianne P. Arrington, Caleb A. Berg, John M. Scott, Brian L. TI Crystal structure and spectroscopic measurements of room temperature intra-5f fluorescence of Cs2Np(VI)O2Cl4 SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE neptunium; chemical synthesis; crystal structure; luminescence; time-resolved optical spectroscopy ID ELECTRONIC-STRUCTURE; MOLECULAR-STRUCTURES; ACTINYL IONS; NEPTUNYL; URANIUM; COMPLEX; TRANSITIONS; CS2NPO2CL4; SPECIATION; PLUTONIUM AB Intra-5f fluorescence from crystalline needles of Cs2Np(VI)O2Cl4 has been observed in the near-infrared at room temperature following continuous wave excitation at 633 nm. Characterization of the molecular structure of CS2Np(VI)O2Cl4 by single-crystal X-ray diffraction analysis is reported. The observed emission originates from an excited state approximately 6889 cm(-1) above the ground state. The vibrome structure in the emission spectrum is assigned based on comparison with the analyses of liquid helium absorption spectra of Cs2U(Np)O2Cl4 published by Denning et al. and room temperature fluorescence data of Cs2U(Np)O2Cl4 reported by Wilkerson et al. The room temperature fluorescence lifetime of the observed origin Of CS2NpO2Cl4 is compared with lifetime data from the doped system, Cs2U(Np)O2Cl4. Published by Elsevier B.V. C1 Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. Wofford Coll, Spartanburg, SC 29303 USA. Los Alamos Natl Lab, Plutonium Mfg & Technol Div, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Mat Phys & Appl Div, Los Alamos, NM 87545 USA. RP Wilkerson, MP (reprint author), Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. EM mpw@lanl.gov; ArringtonCA@Wofford.edu; jberg@lanl.gov; bscott@lanl.gov RI Scott, Brian/D-8995-2017 OI Scott, Brian/0000-0003-0468-5396 NR 36 TC 19 Z9 19 U1 0 U2 10 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 634 EP 639 DI 10.1016/j.jallcom.2006.12.011 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400124 ER PT J AU Burger, S Riciputi, LR Turgeon, S Bostick, D Mcbay, E Lavelle, M AF Buerger, S. Riciputi, L. R. Turgeon, S. Bostick, D. McBay, E. Lavelle, M. TI A high efficiency cavity ion source using TIMS for nuclear forensic analysis SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE high efficiency cavity; thermal ionization mass spectrometry; nuclear forensic; nuclear safeguard ID IONIZATION MASS-SPECTROMETRY; PLUTONIUM; ISOTOPES; ORIGIN AB Using a high efficiency cavity interfaced to a ThermoFinnigan 'Triton' multi-collector TIMS, a total efficiency (atoms loaded to ions detected) of up to 10% for plutonium, strontium, and neodymium, loaded on resin beads introduced into a rhenium cavity are feasible. A quantification limit well below 100 attograms of plutonium (10(4) atoms (239-242+244)Pu) can be reported. Furthermore, the achieved accuracy and precision are suitable to gain crucial geolocation information at sub-nanogram concentration for elements like strontium. The use of a high efficiency cavity in combination with a multi-collector TIMS appears to be a promising analytical tool to gain crucial (nuclear) forensic information. (c) 2006 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, Transuran Res Inst, Chem & Isotope Mass Spectrometry Grp, Oak Ridge, TN 37831 USA. RP Burger, S (reprint author), Oak Ridge Natl Lab, Transuran Res Inst, Chem & Isotope Mass Spectrometry Grp, POB 2008, Oak Ridge, TN 37831 USA. EM buergers@ornl.gov; riciputilr@ornl.gov NR 15 TC 17 Z9 18 U1 0 U2 7 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 660 EP 662 DI 10.1016/j.jallcom.2006.11.019 PG 3 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400130 ER PT J AU Tananaev, IG Nikonov, MV Myasoedov, BF Clark, DL AF Tananaev, Ivan G. Nikonov, Mikhail V. Myasoedov, Boris F. Clark, David L. TI Plutonium in higher oxidation states in alkaline media SO JOURNAL OF ALLOYS AND COMPOUNDS LA English DT Article; Proceedings Paper CT 4th Topical Conference on Plutonium and Actinides/Plutonium Futures - The Science 2006 CY JUL 09-13, 2006 CL Pacific Grove, CA SP Lawrence Livermore Natl Lab, Los Alamos Natl Lab, Amer Nucl Soc, Quantum Design Co, FEI Co DE actinides elements; plutonium; oxidation states; stabilization AB Experimental chemical and electrochemical properties of plutonium in strong alkaline solution are described. Using different chemical and electrochemical methods to determine plutonium oxidation state speciation, we suggest that during oxidation of Pu(VI) in alkaline media Pu(VIII) is produced in a mixture with Pu(VII). Probable values of molar extinction coefficient of Pu(VIII) at 635 nm, and Pu(VII) at 500-550 nm, were estimated as similar to 2600 +/- 400 and similar to 100 M-1 cm(-1), respectively. The yield of presumed Pu(VIII) in the experimental solution was estimated to be similar to(15 +/- 5)%. From electrochemical calculations we estimate that the values of the reduction potential of Pu(VIII)/Pu(VII) and Pu(VII)/Pu(VI) pairs in 2 M NaOH are greater than 0.90 V, and 0.68 +/- 0.05 V (vs. NHE), respectively. The possible presence of other unknown oxidations (such as Pu(VII) peroxo-compounds) that might give similar results are discussed. For uncontestable proof of existence of Pu(Vlll) in alkaline solutions, advanced spectroscopic techniques should be employed. (c) 2007 Elsevier B.V. All rights reserved. C1 Russian Acad Sci, Vernadsky Inst Geochem & Analyt Chem, Moscow 199991, Russia. Los Alamos Natl Lab, Glenn T Seaborg Transactinium Sci, Los Alamos, NM 87545 USA. RP Tananaev, IG (reprint author), Russian Acad Sci, Vernadsky Inst Geochem & Analyt Chem, Moscow 199991, Russia. EM tananaev@geokhi.ru RI Clark, David/A-9729-2011 NR 9 TC 14 Z9 14 U1 3 U2 8 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-8388 J9 J ALLOY COMPD JI J. Alloy. Compd. PD OCT 11 PY 2007 VL 444 BP 668 EP 672 DI 10.1016/j.jallcom.2006.12.104 PG 5 WC Chemistry, Physical; Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Chemistry; Materials Science; Metallurgy & Metallurgical Engineering GA 218DO UT WOS:000249996400132 ER PT J AU Liu, Y Cain, JP Wang, H Laskin, A AF Liu, Y. Cain, J. P. Wang, H. Laskin, A. TI Kinetic study of heterogeneous reaction of deliquesced NaCl particles with gaseous HNO3 using particle-on-substrate stagnation flow reactor approach SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Review ID SEA-SALT PARTICLES; PARTICULATE AIR-POLLUTION; CHLORINE EMISSIONS INVENTORY; MASS ACCOMMODATION COEFFICIENTS; SCANNING-ELECTRON-MICROSCOPY; MARINE BOUNDARY-LAYER; X-RAY-MICROANALYSIS; SODIUM-CHLORIDE; NITRIC-ACID; WATER-INTERFACE AB Heterogeneous reaction kinetics of gaseous nitric acid with deliquesced sodium chloride particles NaCl(aq) + HNO3(g) -> NaNO3(aq) + HCl(g) were investigated with a novel particle-on-substrate stagnation flow reactor (PS-SFR) approach under conditions, including particle size, relative humidity, and reaction time, directly relevant to the atmospheric chemistry of sea salt particles. Particles deposited onto an electron microscopy grid substrate were exposed to the reacting gas at atmospheric pressure and room temperature by impingement via a stagnation flow inside the reactor. The reactor design and choice of flow parameters were guided by computational fluid dynamics to ensure uniformity of the diffusion flux to all particles undergoing reaction. The reaction kinetics was followed by observing chloride depletion in the particles by computer-controlled scanning electron microscopy with energy-dispersive X-ray analysis (CCSEM/EDX). The validity of the current approach was examined first by conducting experiments with median dry particle diameter (D) over bar (P) = 0.82 mu m, 80% relative humidity, particle loading densities 4 x 10(4) <= N-s <= 7 x 10(6) cm(-2) and free stream HNO3 concentrations 2, 7, and 22 ppb. Upon deliquescence the droplet diameter (D) over bar (d) approximately doubles. The apparent, pseudo-first-order rate constant determined in these experiments varied with particle loading and HNO3 concentration in a manner consistent with a diffusion-kinetic analysis reported earlier (Laskin, A.; Wang. H.; Robertson, W. H.; Cowin, J. P.; Ezell, M. J.; Finlayson-Pitts, B. J. J. Phys. Chem. A 2006, 110 10619). The intrinsic, second-order rate constant was obtained as k(II) = 5.7 x 10(-15) cm(3) molecule(-1) s(-1) in the limit of zero particle loading and by assuming that the substrate is inert to HNO3. Under this loading condition the experimental, net reaction uptake coefficient was found to be gamma(net),,, = 0. 11 with an uncertainty factor of 3. Additional experiments examined the variations of HNO3 uptake on pure NaCl, a sea salt-like mixture of NaCl and MgCl2, (Mg-to-Cl molar ratio of 0. 114) and real sea salt particles as a function of relative humidity. Results show behavior of the uptake coefficient to be similar for all three types of salt particles with (D) over bar (P) similar to 0.9 pm over the relative humidity range 20-80%. Gaseous HNO3 uptake coefficient peaks around a relative humidity of 55%, with gamma(net) well over 0.2 for sea salt. Below the efflorescence relative humidity the uptake coefficient declines with decreasing RH for all three sea salt types, and it does so without exhibiting a sudden shutoff of reactivity. The uptake of HNO3 on sea salt particles was more rapid than that on the mixture of NaCl and MgCl2 and uptake on both sea salt and sea salt-like mixture was faster than on pure NaCl. The uptake of HNO3 on deliquesced, pure NaCl particles was also examined over the particle size range of 0.57 <= (D) over bar (p) <= 1.7 mu m (1.1 <= (D) over bar (d) <= 3.4 mu m) under a constant relative humidity of 80%. The uptake coefficient decreases monotonically with an increase in particle size. Application of a resistance model of reaction kinetics and reactant diffusion over a single particle suggests that, over the range of paticle size studied, the uptake is largely controlled by gaseous reactant diffusion from the free stream to the particle surface. In addition, a combined consideration of uptake coefficients obtained in the present study and those previously reported for substantially smaller droplets ((D) over bar (d) similar to 0.1 mu m) (Saul, T. D.; Tolocka, M. P.; Johnston, M. V. J. Phys. Chem. A 2006, 110, 7614) suggests that the peak reactivity occurs at a droplet diameter of similar to 0.7 mu m, which is immediately below the size at which sea salt aerosols begin to notably contribute to light scattering. C1 Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. Univ So Calif, Dept Aerosp & Mech Engn, Los Angeles, CA 90089 USA. RP Wang, H (reprint author), Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, PO Box 999,MSIN K8-88, Richland, WA 99352 USA. EM haiw@usc.edu; Alexander.Laskin@pnl.gov RI Wang, Hai/A-1292-2009; liu, yong/F-6736-2012; Laskin, Alexander/I-2574-2012 OI Wang, Hai/0000-0001-6507-5503; Laskin, Alexander/0000-0002-7836-8417 NR 123 TC 41 Z9 42 U1 4 U2 45 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 OCT 11 PY 2007 VL 111 IS 40 BP 10026 EP 10043 DI 10.1021/jp072005p PG 18 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 217ZZ UT WOS:000249987100003 PM 17850118 ER PT J AU Belau, L Wilson, KR Leone, SR Ahmed, M AF Belau, Leonid Wilson, Kevin R. Leone, Stephen R. Ahmed, Musahid TI Vacuum ultraviolet (VUV) photoionization of small water clusters SO JOURNAL OF PHYSICAL CHEMISTRY A LA English DT Article ID VIBRATIONAL PREDISSOCIATION SPECTROSCOPY; HYDROGEN-BOND NETWORK; FREE JET EXPANSION; X-RAY-DIFFRACTION; LIQUID WATER; GAS-PHASE; SYNCHROTRON-RADIATION; PROTON AFFINITIES; MASS-SPECTROMETRY; EXCESS ELECTRON AB Tunable vacuum ultraviolet (VUV) photoionization studies of water clusters are performed using 10- 14 eV synchrotron radiation and analyzed by reflectron time-of-flight (TOF) mass spectrometry. Photoionization efficiency (PIE) curves for protonated water clusters (H2O)(n)H+ are measured with 50 meV energy resolution. The appearance energies of a series of protonated water clusters are determined from the photoionization threshold for clusters composed of up to 79 molecules. These appearance energies represent an upper limit of the adiabatic ionization energy of the corresponding parent neutral water cluster in the supersonic molecular beam. The experimental results show a sharp drop in the appearance energy for the small neutral water clusters (from 12.62 +/- 0.05 to 10.94 +/- 0.06 eV, for H2O and (H2O)(4), respectively), followed by a gradual decrease for clusters up to (H2O)(23) converging to a value of 10.6 eV (+/- 0.2 eV). The dissociation energy to remove a water molecule from the corresponding neutral water cluster is derived through thermodynamic cycles utilizing the dissociation energies of protonated water clusters reported previously in the literature. The experimental results show a gradual decrease of the dissociation energy for removal of one water molecule for small neutral water clusters (3 <= n <= 9). This dissociation energy is discussed within the context of hydrogen bond breaking in a neutral water cluster. C1 Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RP Ahmed, M (reprint author), Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. EM MAhmed@lbl.gov RI Ahmed, Musahid/A-8733-2009 NR 73 TC 83 Z9 83 U1 4 U2 41 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 OCT 11 PY 2007 VL 111 IS 40 BP 10075 EP 10083 DI 10.1021/jp075263v PG 9 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 217ZZ UT WOS:000249987100009 PM 17715907 ER PT J AU Pravica, M Grubor-Urosevic, O Hu, M Chow, P Yulga, B Liermann, P AF Pravica, Michael Grubor-Urosevic, Ognjen Hu, Michael Chow, Paul Yulga, Brian Liermann, Peter TI X-ray Raman spectroscopic study of benzene at high pressure SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Letter ID PHASE-TRANSITIONS; SCATTERING AB We have used X-ray Raman spectroscopy (XRS) to study benzene up to similar to 20 GPa in a diamond anvil cell at ambient temperature. The experiments were performed at the High-Pressure Collaborative Access Team's 16 ID-D undulator beamline at the Advanced Photon Source. Scanned monochromatic X-rays near 10 keV were used to probe the carbon X-ray edge near 284 eV via inelastic scattering. The diamond cell axis was oriented perpendicular to the X-ray beam axis to prevent carbon signal contamination from the diamonds. Beryllium gaskets confined the sample because of their high transmission throughput in this geometry. Spectral alterations with pressure indicate bonding changes that occur with pressure because of phase changes (liquid: phase 1, 11, 111, and III') and possibly due to changes in the hybridization of the bonds. Changes in the XRS spectra were especially evident in the data taken when the sample was in phase III', which may be related to a rate process observed in earlier shock wave studies. C1 Univ Nevada, High Pressure Sci & Engn Ctr, Dept Phys & Astron, Las Vegas, NV 89154 USA. Argonne Natl Lab, Adv Photon Source, Carnegie Inst Washington, High Pressure Collaborat Access Team, Argonne, IL 60439 USA. RP Pravica, M (reprint author), Univ Nevada, High Pressure Sci & Engn Ctr, Dept Phys & Astron, Las Vegas, NV 89154 USA. EM pravica@physics.unlv.edu NR 19 TC 17 Z9 17 U1 1 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 OCT 11 PY 2007 VL 111 IS 40 BP 11635 EP 11637 DI 10.1021/jp074321+ PG 3 WC Chemistry, Physical SC Chemistry GA 217ZX UT WOS:000249986900008 PM 17880198 ER PT J AU Kashtanov, S Zhuang, GRV Augustsson, A Nordgren, J Luo, Y Ross, PN Guo, JH AF Kashtanov, Stepan Zhuang, Guorong V. Augustsson, Andreas Nordgren, Joseph Luo, Y. Ross, Philip N. Guo, Jinghua TI Structural conformation in a poly(ethylene oxide) film determined by X-ray emission spectroscopy SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID BOND-DISSOCIATION ENERGIES; POWDER-DIFFRACTION DATA; CATION-ETHER COMPLEXES; POLYMER ELECTROLYTES; EQUILIBRIUM STRUCTURES; DENSITY; PHASE; BEHAVIOR; CL AB The electronic structure of pol(ethylene oxide) (PEO) in a thin (< 1 mu) film sample was experimentally probed by X-ray emission spectroscopy. Both nonresonant and resonant X-ray emission spectra were simulated by using density functional theory (DFT) applied to four different models representing different conformations in the polymer. Calculated spectra were compared with experimental results for the PEO film. It was found that the best fit was obtained with the polymer conformation in PEO electrolytes from which the salt (LiMF6, M = P, As, or Sb) had been removed. This conformation is different from the crystalline bulk polymer and implies that film casting, commonly used to form electrolytes for Li polymer batteries, induces the same conformation in the polymer not depending upon the presence of salt. C1 Lawrence Berkeley Natl Lab, Adv Light Source Div, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Sci Mat, Berkeley, CA 94720 USA. Uppsala Univ, Dept Phys, S-75121 Uppsala, Sweden. AlbaNova Univ Ctr, Royal Inst Technol, Theoret Chem, S-10691 Stockholm, Sweden. RP Guo, JH (reprint author), Lawrence Berkeley Natl Lab, Adv Light Source Div, Berkeley, CA 94720 USA. EM jguo@lbl.gov RI Luo, Yi/B-1449-2009; OI Luo, Yi/0000-0003-0007-0394; Augustsson, Andreas/0000-0002-9463-3700 NR 30 TC 1 Z9 1 U1 0 U2 3 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 OCT 11 PY 2007 VL 111 IS 40 BP 11658 EP 11661 DI 10.1021/jp072141u PG 4 WC Chemistry, Physical SC Chemistry GA 217ZX UT WOS:000249986900012 PM 17877383 ER PT J AU Shkrob, IA Chemerisov, SD Wishart, JF AF Shkrob, Ilya A. Chemerisov, Sergey D. Wishart, James F. TI The initial stages of radiation damage in ionic liquids and ionic liquid-based extraction systems SO JOURNAL OF PHYSICAL CHEMISTRY B LA English DT Article ID ELECTRON-SPIN-RESONANCE; DENSITY-FUNCTIONAL CALCULATIONS; IRRADIATED SINGLE CRYSTAL; PULSE-RADIOLYSIS; RADICAL CATIONS; METHYLTRIBUTYLAMMONIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE; REACTION-KINETICS; HYPERFINE STRUCTURES; SELECTIVE FORMATION; BRANCHED ALKANES AB Radical intermediates generated in radiolysis and photoionization of ionic liquids (ILs) composed of ammonium, phosphonium, pyrrolidinium, and imidazolium cations and bis(triflyl)amide, dicyanamide, and bis(oxalato)borate anions have been studied using magnetic resonance spectroscopy. Large yields of terminal and penultimate C-centered radicals are observed in the aliphatic chains of the phosphonium, ammonium, and pyrrolidinium cations, but not for imidazolium cation. This pattern is indicative of efficient deprotonation of a hole trapped on the parent cation (the radical dication) that competes with rapid electron transfer from a nearby anion. This charge transfer leads to the formation of stable N- or O-centered radicals; the dissociation of parent anions is a minor pathway. Addition of 10-40 wt % of trialkyl phosphate (a common extraction agent), has relatively little effect on the fragmentation of the ILs. The yield of the alkyl radical fragment generated by dissociative electron attachment to the trialkyl phosphate is < 4% of the yield of the radical fragments derived from the IL solvent. The import of these observations for radiation stability of the prospective nuclear cycle extraction systems based upon the ILs is discussed. C1 Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Shkrob, IA (reprint author), Argonne Natl Lab, Div Chem, 9700 S Cass Ave, Argonne, IL 60439 USA. EM shkrob@ani.gov; wishart@bnl.gov RI Wishart, James/L-6303-2013 OI Wishart, James/0000-0002-0488-7636 NR 89 TC 88 Z9 91 U1 2 U2 35 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 OCT 11 PY 2007 VL 111 IS 40 BP 11786 EP 11793 DI 10.1021/jp073619x PG 8 WC Chemistry, Physical SC Chemistry GA 217ZX UT WOS:000249986900028 PM 17877387 ER PT J AU Dimitrijevic, NM Saponjic, ZV Rabatic, BM Poluektov, OG Rajh, T AF Dimitrijevic, Nada M. Saponjic, Zoran V. Rabatic, Bryan M. Poluektov, Oleg G. Rajh, Tijana TI Effect of size and shape of nanocrystalline TiO2 on photogenerated charges. An EPR study SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Letter ID ELECTRON-PARAMAGNETIC-RESONANCE; SURFACE MODIFICATION; NANOPARTICLES; TEMPERATURE; ANATASE; RES; NANOSTRUCTURES; SEPARATION; TITANATE; COLLOIDS AB The continuous wave and pulsed electron paramagnetic resonance study of the photogenerated charges in differently shaped anatase nano-objects dispersed in aqueous solution is presented. Excitation of TiO2 nano-objects (spherical, faceted, rods, and bricks) at temperatures <80 K results in the formation of paramagnetic species that correspond to electrons trapped at lattice titanium within the bulk, (Ti3+)(latt), and holes trapped at oxygen atoms at the surface of nano-objects, as confirmed by the electron spin echo envelope modulation technique. The distortion of the Ti-O bond, which is a result of reconstruction of the surface of nano-objects, causes variations in g-tensor values and spin relaxation processes of lattice-trapped electrons. On the other hand, size and shape do not affect spin-spin relaxation times of surface-trapped holes as it was found that relaxation is determined by dipolar coupling with H-1 nuclei from surrounding water. C1 Argonne Natl Lab, Ctr Nanoscale Mat, Chem Div, Argonne, IL 60439 USA. RP Dimitrijevic, NM (reprint author), Argonne Natl Lab, Ctr Nanoscale Mat, Chem Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM dimitrijevic@anl.gov NR 32 TC 65 Z9 65 U1 1 U2 36 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD OCT 11 PY 2007 VL 111 IS 40 BP 14597 EP 14601 DI 10.1021/jp0756395 PG 5 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 217ZU UT WOS:000249986600003 ER PT J AU Liu, DJ AF Liu, Da-Jiang TI CO oxidation on Rh(100): Multisite atomistic lattice-gas modeling SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID MONTE-CARLO-SIMULATION; DENSITY-FUNCTIONAL CALCULATIONS; ENERGY-ELECTRON DIFFRACTION; TRANSITION-METAL SURFACES; ADSORPTION-KINETICS; OXYGEN-ADSORPTION; PHASE-TRANSITIONS; PD(100); CHEMISORPTION; COADSORPTION AB A detailed multisite atomistic lattice-gas model is applied for CO oxidation on single-crystal Rh(100) surfaces 14 under low-pressure conditions. Its behavior is analyzed by kinetic Monte Carlo simulation accounting for high adspecies surface mobility. The model input includes binding energies and interactions for CO and oxygen adspecies as well as a prescription of the adsorption-desorption dynamics and of the reaction pathway and energetics. Density functional theory (DFT) provides some guidance as to these energies, but significant uncertainties remain, particularly regarding the CO binding site on Rh(100). Thus, most modeling is performed with a judiciously chosen set of energetics in light of existing experimental evidence. We examine (i) the ordering and temperature-programmed desorption kinetics of the individual reactant adspecies, CO and oxygen, on Rh(100) and (ii) ordering in the mixed reactant adlayer and CO oxidation kinetics as reflected in temperature-programmed reaction spectra. C1 Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. RP Liu, DJ (reprint author), Iowa State Univ, US DOE, Ames Lab, Ames, IA 50011 USA. EM dajiang@fi.ameslab.gov NR 56 TC 26 Z9 26 U1 0 U2 6 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD OCT 11 PY 2007 VL 111 IS 40 BP 14698 EP 14706 DI 10.1021/jp071944e PG 9 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 217ZU UT WOS:000249986600020 ER PT J AU Iddir, H Komanicky, V Ogut, S You, H Zapol, P AF Iddir, Hakim Komanicky, Vladimir Oeguet, Serdar You, Hoydoo Zapol, Peter TI Shape of platinum nanoparticles supported on SrTiO3: Experiment and theory SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID SURFACE FREE-ENERGIES; AUGMENTED-WAVE METHOD; BROKEN-BOND RULE; EPITAXIAL-GROWTH; THIN-FILMS; ADSORPTION; PT(100); METALS; RECONSTRUCTION; TRANSITION AB Platinum nanocrystals of about 30-100 nm size were grown on SrTiO3 substrates in different orientations. Their shapes were investigated using first-principles methods and compared to scanning electron microscope images. Analysis of the results for several different surface orientations shows epitaxial growths, uniform size distributions in regular arrays, partial wetting, and several different shapes. In particular, we observe a bimodal distribution of particle shapes, distinguished by the relative size of the (100) facets. This observation is explained by the changes in the surface energy caused by the surface reconstruction. C1 Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA. Univ Illinois, Dept Phys, Chicago, IL 60607 USA. RP Zapol, P (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM zapol@anl.gov RI Ogut, Serdar/B-1749-2012; Zapol, Peter/G-1810-2012; You, Hoydoo/A-6201-2011 OI Zapol, Peter/0000-0003-0570-9169; You, Hoydoo/0000-0003-2996-9483 NR 50 TC 34 Z9 34 U1 1 U2 25 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD OCT 11 PY 2007 VL 111 IS 40 BP 14782 EP 14789 DI 10.1021/jp073041r PG 8 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 217ZU UT WOS:000249986600029 ER PT J AU Li, YX Roy, A Badami, AS Hill, M Yang, J Dunn, S McGrath, JE AF Li, Yanxiang Roy, Abhishek Badami, Anand S. Hill, Melinda Yang, Juan Dunn, Stuart McGrath, James E. TI Synthesis and characterization of partially fluorinated hydrophobic-hydrophilic multiblock copolymers containing sulfonate groups for proton exchange membrane SO JOURNAL OF POWER SOURCES LA English DT Article; Proceedings Paper CT Fall Annual Symposium on Fuel Cell Chemistry and Operation held at the 232nd National Meeting of the American-Chemical-Society CY SEP 11-14, 2006 CL San Francisco, CA SP Amer Chem Soc DE proton exchange membrane fuel cell; poly(arylene ether ketone); poly(arylene ether sulfone); multiblock copolymer; morphology ID POLY(ARYLENE ETHER SULFONE); RANDOM STATISTICAL COPOLYMERS; FUEL-CELLS; DIRECT POLYMERIZATION; POLYIMIDE COPOLYMERS; PERFORMANCE; SYSTEMS AB A new hydrophobic-hydrophilic multiblock copolymer has been successfully synthesized based on the careful coupling of a fluorine terminated poly(arylene ether ketone) (6FK) hydrophobic oligomer and a phenoxide terminated disulfonated poly(arylene ether sulfone) (BPSH) hydrophilic oligomer. F-19 and H-1 NMR spectra were used to characterize the oligomers' molecular weights and multiblock copolymer's structure. The comparison of the multiblock copolymer C-13 NMR spectrum with that of the random copolymer showed that the tran setherification side reaction was minimized in this synthesis. The morphologies of membranes were investigated by tapping mode atomic force microscopy (AFM), which showed that the multiblock membrane acidified by the high temperature method has sharp phase separation. Membrane properties like protonic conductivity, water uptake, and self-diffusion coefficient of water as a function of temperature and relative humidity (RH) were characterized for the multiblock copolymer and compared with ketone type random copolymers at similar ion exchange capacity value and Nafion(D controls. The multiblock copolymers are promising candidates for proton exchange membranes especially for applications at high temperatures and low relative humidity. (C) 2007 Published by Elsevier B.V. C1 Virginia Polytech Inst & State Univ, Macrmol Sci & Engn & Macromol & Interfaces Inst, Blacksburg, VA 24061 USA. Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP McGrath, JE (reprint author), Virginia Polytech Inst & State Univ, Macrmol Sci & Engn & Macromol & Interfaces Inst, Blacksburg, VA 24061 USA. EM jmcgrath@vt.edu NR 34 TC 61 Z9 62 U1 5 U2 19 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 OCT 11 PY 2007 VL 172 IS 1 SI SI BP 30 EP 38 DI 10.1016/j.jpowsour.2007.04.046 PG 9 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 225AX UT WOS:000250490600005 ER PT J AU Malers, JL Sweikart, MA Horan, JL Turner, JA Herring, AM AF Malers, Jennifer L. Sweikart, Mary-Ann Horan, James L. Turner, John A. Herring, Andrew M. TI Studies of heteropoly acid/polyvinylidenedifluoride-hexafluoroproylene composite membranes and implication for the use of heteropoly acids as the proton conducting component in a fuel cell membrane SO JOURNAL OF POWER SOURCES LA English DT Article; Proceedings Paper CT Fall Annual Symposium on Fuel Cell Chemistry and Operation held at the 232nd National Meeting of the American-Chemical-Society CY SEP 11-14, 2006 CL San Francisco, CA SP Amer Chem Soc DE proton exchange membrane; heteropoly acid; polyvinylidenedifluoride; proton conduction ID 12-TUNGSTOPHOSPHORIC ACID; PHOSPHOTUNGSTIC ACID; ELECTROLYTE; HEXAHYDRATE; H-1-NMR AB Complete polarization curves for a number of heteropoly acids (HPAs), H3PW12O40, alpha-H3P2W18O62, H6P2W21O71, and H6As2W21O69 as the only proton conducting component are presented for the first time. Both thin pellets of HPA and composite membranes of 1:1 (w/w) of HPA and polyvinylidenedifluoride-hexafluoropropylene (PVDF-HFP) are investigated. Although the pellets are somewhat variable, the HPA phase changes can be observed by electrochemistry and these materials show promise for solid acid fuel cell performance at >200 degrees C. The high proton conductivities reported for HPAs at RT are demonstrated in fuel cells using HPA/PVDF-HFP composites with limiting current densities as high as 1.6 A cm(-2) using dry O-2 and H-2. Moderate fuel cell activity is demonstrated for alpha-H3PW18O62 at 120 degrees C and 25%RH. Unfortunately all of the materials studied were somewhat porous and the open circuit potentials observed were somewhat low. We were also able to show that an HPA fuel cell could be shorted by reduction of the HPA to a heteropoly blue under exceptional circumstances. (C) 2007 Elsevier B.V. All rights reserved. C1 Colorado Sch Mines, Dept Chem Engn, Golden, CO 80401 USA. Colorado Sch Mines, Dept Chem & Geochem, Golden, CO 80401 USA. Natl Renewable Energy Lab, Hydrogen Technol & Syst Ctr, Golden, CO 80401 USA. RP Turner, JA (reprint author), Colorado Sch Mines, Dept Chem Engn, Golden, CO 80401 USA. EM john_tumer@NREL.gov; aherring@mines.edu RI Herring, Andy/E-7088-2010; OI Herring, Andrew/0000-0001-7318-5999 NR 27 TC 48 Z9 48 U1 1 U2 12 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 OCT 11 PY 2007 VL 172 IS 1 SI SI BP 83 EP 88 DI 10.1016/j.jpowsour.2007.02.009 PG 6 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 225AX UT WOS:000250490600012 ER PT J AU Garland, NL Kopasz, JP AF Garland, Nancy L. Kopasz, John P. TI The United States Department of Energy's high temperature, low relative humidity membrane program SO JOURNAL OF POWER SOURCES LA English DT Article; Proceedings Paper CT Fall Annual Symposium on Fuel Cell Chemistry and Operation held at the 232nd National Meeting of the American-Chemical-Society CY SEP 11-14, 2006 CL San Francisco, CA SP Amer Chem Soc DE polymer electrolyte fuel cells; membrane; hydrogen fuel cell AB The U.S. Department of Energy (USDOE) Hydrogen Program works with industry, academia, and National Laboratories through research and development to overcome technical barriers of fuel cell and hydrogen production, delivery, and storage technologies. Two of the major challenges in the advancement of fuel cell technology are cost and durability of the polymer electrolyte membranes used for proton conduction in the fuel cell. To address these challenges, DOE initiated new membrane research and development projects to design membranes that meet its 2010 technical targets and will lead to membranes that operate in a fuel cell system that performs as well and costs as little as internal combustion engines. Three strategies are employed in the program: implementation of phase segregation in the membrane to create proton conduction pathways, use of non-aqueous proton conductors for operation under dry conditions, and hydrophilic additives to retain water at low relative humidity. (C) 2007 Elsevier B.V. All rights reserved. C1 US DOE, Washington, DC 20375 USA. Argonne Natl Lab, Argonne, IL 60439 USA. RP Garland, NL (reprint author), US DOE, 1000 Independence Ave SW, Washington, DC 20375 USA. EM nancy.garland@ee.doe.gov NR 21 TC 49 Z9 51 U1 0 U2 4 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 OCT 11 PY 2007 VL 172 IS 1 SI SI BP 94 EP 99 DI 10.1016/j.jpowsour.2007.01.025 PG 6 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 225AX UT WOS:000250490600014 ER PT J AU Milliken, J Joseck, F Wang, M Yuzugullu, E AF Milliken, Joann Joseck, Fred Wang, Michael Yuzugullu, Elvin TI The advanced energy initiative SO JOURNAL OF POWER SOURCES LA English DT Article; Proceedings Paper CT Fall Annual Symposium on Fuel Cell Chemistry and Operation held at the 232nd National Meeting of the American-Chemical-Society CY SEP 11-14, 2006 CL San Francisco, CA SP Amer Chem Soc DE advanced energy initiative; hydrogen; fuel cells; transportation AB The President's Advanced Energy Initiative (AEI), launched in 2006, addresses the challenges of energy supply and demand facing our Nation by supporting research and development of advanced technologies for transportation and stationary power generation. The AEI portfolio includes clean coal, nuclear and renewable energy technologies (solar and wind) for stationary power generation and advanced battery technologies, cellulosic ethanol as a fuel and hydrogen fuel cells for transportation. These research and development programs are underpinned by comprehensive life-cycle analysis efforts using models such as Hydrogen Analysis (H2A) and Greenhouse Gases, Regulated Emissions and Energy Use in Transportation (GREET) to enable a better understanding of the characteristics and trade-offs associated with advanced energy options and to help decision makers choose viable pathways for clean, reliable and affordable energy. (C) 2007 Published by Elsevier B.V. C1 US DOE, Washington, DC 20585 USA. Argonne Natl Lab, Argonne, IL 60439 USA. SENTECH Inc, Bethesda, MD 20814 USA. RP Milliken, J (reprint author), US DOE, 1000 Independence Ave SW, Washington, DC 20585 USA. EM JoAnn.Milliken@ee.doe.gov; Fred.Joseck@ee.doe.gov; mqwang@anl.gov; eyuzugullu@sentech.org NR 32 TC 43 Z9 46 U1 0 U2 7 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 OCT 11 PY 2007 VL 172 IS 1 SI SI BP 121 EP 131 DI 10.1016/j.jpowsour.2007.05.030 PG 11 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 225AX UT WOS:000250490600018 ER PT J AU Saint, JA Doeff, MM Reed, J AF Saint, Juliette A. Doeff, Marca M. Reed, John TI Synthesis and electrochemistry of Li3MnO4: Mn in the +5 oxidation state SO JOURNAL OF POWER SOURCES LA English DT Article DE Li3MnO4; Mn(V); MnO4n-; lithium ion battery ID LITHIUM BATTERIES; LAYERED LIMNO2; STRUCTURAL-CHARACTERIZATION; MANGANESE OXIDES; METAL-OXIDES; AB-INITIO; TRANSFORMATION; INTERCALATION; ELECTRODES; STABILITY AB Computational and experimental work directed at exploring the electrochemical properties of tetrahedrally coordinated Mn in the +5 oxidation state is presented. Specific capacities of nearly 700 mAh g(-1) are predicted for the redox processes of LixMnO4 complexes based on two two-phase reactions. One is topotactic extraction of Li from Li3MnO4 to form LiMnO4 and the second is topotactic insertion of Li into Li3MnO4 to form Li5MnO4. In the experiments, it is found that the redox behavior of Li3MnO4 is complicated by disproportionation of Mn5+ in solution to form Mn4+ and Mn7+ and by other irreversible processes; although an initial capacity of about 275mAh g(-1) in lithium cells was achieved. Strategies based on structural considerations to improve the electrochemical properties of MnO4n- complexes are given. Published by Elsevier B.V. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Lawrence Livermore Natl Lab, Quantum Simultat Grp, Livermore, CA 94550 USA. RP Doeff, MM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM mmdoeff@1bl.gov RI Doeff, Marca/G-6722-2013 OI Doeff, Marca/0000-0002-2148-8047 NR 41 TC 20 Z9 21 U1 6 U2 53 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 OCT 11 PY 2007 VL 172 IS 1 SI SI BP 189 EP 197 DI 10.1016/j.jpowsour.2007.07.027 PG 9 WC Chemistry, Physical; Electrochemistry; Energy & Fuels; Materials Science, Multidisciplinary SC Chemistry; Electrochemistry; Energy & Fuels; Materials Science GA 225AX UT WOS:000250490600025 ER PT J AU Wuosmaa, AH Schiffer, JP Back, BB Lister, CJ Rehm, KE AF Wuosmaa, A. H. Schiffer, J. P. Back, B. B. Lister, C. J. Rehm, K. E. TI A solenoidal spectrometer for reactions in inverse kinematics SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE charged-particle spectrometers; reactions induced by unstable nuclei ID NI-56 AB A new type of spectrometer for the study of reactions in inverse kinematics is proposed, in which the target and detector are placed inside a uniform magnetic field. This device has significant advantages over more conventional approaches to measurements of key reactions. and should prove useful in the study of short-lived nuclei. The technique is directly applicable to existing research programs at present accelerators with secondary beams, and the technique is likely to be important at future radioactive beam facilities. (C) 2007 Elsevier B.V. All rights reserved. C1 Western Michigan Univ, Dept Phys, Kalamazoo, MI 49008 USA. Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Wuosmaa, AH (reprint author), Western Michigan Univ, Dept Phys, Kalamazoo, MI 49008 USA. EM alan.wuosmaa@wmich.edu NR 13 TC 48 Z9 48 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD OCT 11 PY 2007 VL 580 IS 3 BP 1290 EP 1300 DI 10.1016/j.nima.2007.07.029 PG 11 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 229BB UT WOS:000250775200014 ER PT J AU Doxas, I Nieter, C Radford, DC Lagergren, K Cary, JR AF Doxas, I. Nieter, C. Radford, D. C. Lagergren, K. Cary, John R. TI An approximate method for linear signal decomposition in gamma-ray tracking detectors SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE gamma-ray tracking detectors; singular value decomposition; signal decomposition AB An approximate method for signal decomposition in gamma-ray tracking detectors is presented, based on Singular Value Decomposition (SVD). With this algorithm, the CPU time scales linearly with the number of possible interaction sites for any number of interactions per gamma ray. The method is also robust to uncertainty in the signal start time and is applicable to any gamma-ray detectors with highly segmented crystals as well as any inverse problem that can be reduced to a search among a countable set of precalculated forward solutions. (C) 2007 Elsevier B.V. All rights reserved. C1 Tech X Crp, Boulder, CO 80303 USA. Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. Joint Inst Heavy Ion Res, Oak Ridge, TN 37831 USA. RP Doxas, I (reprint author), Tech X Crp, Boulder, CO 80303 USA. EM doxas@txcorp.com RI radford, David/A-3928-2015 NR 7 TC 12 Z9 12 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 OCT 11 PY 2007 VL 580 IS 3 BP 1331 EP 1337 DI 10.1016/j.nima.2007.06.079 PG 7 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 229BB UT WOS:000250775200018 ER PT J AU Jaffe, JE AF Jaffe, J. E. TI Energy and length scales in scintillator nonproportionality SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE nonproportionality; scintillator; radiation detector ID LIQUID-NITROGEN TEMPERATURES; LIGHT YIELD NONPROPORTIONALITY; NON-PROPORTIONALITY; RESOLUTION; RADIATION; CRYSTALS; ROOM AB The causes of energy nonlinearity (nonproportionality) in gamma-ray spectroscopy of scintillators have not been fully explained quantitatively, but are believed to involve the spatial density of thermalized electrons and holes, their transport and interactions, and competition between radiative and nonradiative recombination. Here, we relate electron-hole density to the initial ray's energy through expressions for the stopping power and distance, and then attempt to fit some "plateau-type" (e.g. BaF2, Lu2SiO5, ete.) light curves via competing radiative and nonradiative processes obeying different energy power laws. We find that reasonable power laws and the assumption of a uniform energy density in the excited region lead to a fairly good agreement with many experimental curves. We then show that a simple approximation for averaging over regions of different excitation density leads to improved agreement with experiment, at the expense of making it more difficult to uncover the underlying kinetics from the experimental data. These considerations should carry over to more sophisticated models or simulations of scintillation processes. (C) 2007 Elsevier B.V. All rights reserved. C1 Pacific NW Natl Lab, Fundamental Sci Directorate, Richland, WA 99352 USA. RP Jaffe, JE (reprint author), Pacific NW Natl Lab, Fundamental Sci Directorate, Mailstop K1-83,POB 999, Richland, WA 99352 USA. EM john.jaffe@pnl.gov NR 17 TC 22 Z9 22 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 EI 1872-9576 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD OCT 11 PY 2007 VL 580 IS 3 BP 1378 EP 1382 DI 10.1016/j.nima.2007.07.059 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 229BB UT WOS:000250775200024 ER PT J AU Lee, TH Kim, HD Yoon, JS Lee, SY Swinhoe, M Menlove, HO AF Lee, T. H. Kim, H. D. Yoon, J. S. Lee, S. Y. Swinhoe, M. Menlove, H. O. TI Preliminary calibration of the ACP safeguards neutron counter SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT LA English DT Article DE neutron coincidence counter; calibration curve; MCNPX AB The Advanced Spent Fuel Conditioning Process (ACP), a kind of pyroprocess, has been developed at the Korea Atomic Energy Research Institute (KAERI). Since there is no IAEA safeguards criteria for this process, KAERI has developed a neutron coincidence counter to make it possible to perform a material control and accounting (MC&A) for its ACP materials for the purpose of a transparency in the peaceful uses of nuclear materials at KAERI The test results of the ACP Safeguards Neutron Counter (ASNC) show a satisfactory performance for the Doubles count measurement with a low measurement error for its cylindrical sample cavity. The neutron detection efficiency is about 21 % with an error of +/- 1.32% along the axial direction of the cavity. Using two Cf-252 neutron sources, we obtained various parameters for the Singles and Doubles rates for the ASNC. The Singles, Doubles, and Triples rates for a Cf-252 point source were obtained by using the MCNPX code and the results for the ft8 cap multiplicity tally option with the values of epsilon, f(d), and f(t) measured with a strong source most closely match the measurement results to within a 1% error. A preliminary calibration curve for the ASNC was generated by using the point model equation relationship between Cm-244 and Cf-252 and the calibration coefficient for the non-multiplying sample is 2.78 x 10(5) (Doubles counts/s/g Cm-244). The preliminary calibration curves for the ACP samples were also obtained by using an MCNPX simulation. A neutron multiplication influence on an increase of the Doubles rate for a metal ingot and UO2 powder is clearly observed. These calibration curves will be modified and complemented, when hot calibration samples become available. To verify the validity of this calibration curve, a measurement of spent fuel standards for a known Cm-244 mass will be performed in the near future. (C) 2007 Elsevier B.V. All rights reserved. C1 Korea Atom Energy Res Inst, Taejon 305600, South Korea. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Lee, TH (reprint author), Korea Atom Energy Res Inst, Taejon 305600, South Korea. EM typhoon@kaeri.re.kr OI Swinhoe, Martyn/0000-0002-7620-4654 NR 4 TC 4 Z9 4 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-9002 J9 NUCL INSTRUM METH A JI Nucl. Instrum. Methods Phys. Res. Sect. A-Accel. Spectrom. Dect. Assoc. Equip. PD OCT 11 PY 2007 VL 580 IS 3 BP 1423 EP 1427 DI 10.1016/j.nima.2007.07.142 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Nuclear; Physics, Particles & Fields SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 229BB UT WOS:000250775200031 ER PT J AU Andreotti, M Bagnasco, S Baldini, W Bettoni, D Borreani, G Buzzo, A Calabrese, R Cester, R Cibinetto, G Dalpiaz, P Garzoglio, G Gollwitzer, KE Graham, M Hu, M Joffe, D Kasper, J Lasio, G Lo Vetere, M Luppi, E Macri, M Mandelkern, M Marchetto, F Marinelli, M Menichetti, E Metreveli, Z Mussa, R Negrini, M Obertino, MM Pallavicini, M Pastrone, N Patrignani, C Pordes, S Robutti, E Roethel, W Rosen, J Rumerio, P Rusack, RW Santroni, A Schultz, J Seo, SH Seth, KK Stancari, G Stancari, M Tomaradze, A Uman, I Vidnovic, T Werkema, S Zweber, P AF Andreotti, M. Bagnasco, S. Baldini, W. Bettoni, D. Borreani, G. Buzzo, A. Calabrese, R. Cester, R. Cibinetto, G. Dalpiaz, P. Garzoglio, G. Gollwitzer, K. E. Graham, M. Hu, M. Joffe, D. Kasper, J. Lasio, G. Lo Vetere, M. Luppi, E. Macri, M. Mandelkern, M. Marchetto, F. Marinelli, M. Menichetti, E. Metreveli, Z. Mussa, R. Negrini, M. Obertino, M. M. Pallavicini, M. Pastrone, N. Patrignani, C. Pordes, S. Robutti, E. Roethel, W. Rosen, J. Rumerio, P. Rusack, R. W. Santroni, A. Schultz, J. Seo, S. H. Seth, K. K. Stancari, G. Stancari, M. Tomaradze, A. Uman, I. Vidnovic, T. Werkema, S. Zweber, P. TI Precision measurements of the total and partial widths of the psi(2S) charmonium meson with a new complementary-scan technique in (p)over-barp annihilations SO PHYSICS LETTERS B LA English DT Article ID RESONANCE PARAMETERS; FERMILAB; J/PSI AB We present new precision measurements of the psi (2S) total and partial widths from excitation curves obtained in antiproton-proton annihilations by Fermilab experiment E835 at the Antiproton Accumulator in the year 2000. A new technique of complementary scans was developed to study narrow resonances with stochastically cooled antiproton beams. The technique relies on precise revolution-frequency and orbit-length measurements. while making the analysis of the excitation curve almost independent of machine lattice parameters. We study the psi (2S) meson through the processes pp -> e(+)e(-) and pp -> J/psi + X -> e(+)e(-) + X. We measure the width to be Gamma = 290 +/- 25(sta) +/- 4(sys) keV and the combination of partial widths Gamma(+)(-)(e)(e) - Gamma pp/Gamma = 579 +/- 38(sta) +/- 36(sys) meV, which represent the most precise measurements to date. (C) 2007 Elsevier B.V. All rights reserved. C1 Inst Natl Fis Nucl, I-44100 Ferrara, Italy. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Univ Ferrara, I-44100 Ferrara, Italy. Univ Genoa, I-16146 Genoa, Italy. Inst Nazl Fis Necl, I-16146 Genoa, Italy. Univ Calif Irvine, Irvine, CA 92697 USA. Univ Minnesota, Minneapolis, MN 55455 USA. Northwestern Univ, Evanston, IL 60208 USA. Univ Turin, I-10125 Turin, Italy. Inst Nazl Fis Nucl, I-10125 Turin, Italy. RP Stancari, G (reprint author), Inst Natl Fis Nucl, Via Saragat 1, I-44100 Ferrara, Italy. EM stancari@fe.infn.it RI Graham, Michael/B-7518-2009; Pallavicini, Marco/G-5500-2012; Patrignani, Claudia/C-5223-2009; Luppi, Eleonora/A-4902-2015; Calabrese, Roberto/G-4405-2015; Lo Vetere, Maurizio/J-5049-2012; Bagnasco, Stefano/J-4324-2012; Negrini, Matteo/C-8906-2014 OI Pallavicini, Marco/0000-0001-7309-3023; Patrignani, Claudia/0000-0002-5882-1747; Luppi, Eleonora/0000-0002-1072-5633; Calabrese, Roberto/0000-0002-1354-5400; Lo Vetere, Maurizio/0000-0002-6520-4480; Negrini, Matteo/0000-0003-0101-6963 NR 11 TC 11 Z9 11 U1 0 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 OCT 11 PY 2007 VL 654 IS 3-4 BP 74 EP 79 DI 10.1016/j.physletb.2007.08.044 PG 6 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 222FX UT WOS:000250282600004 ER PT J AU Shimoura, S Ota, S Demichi, K Aoi, N Baba, H Elekes, Z Fukuchi, T Gomi, T Hasegawa, K Ideguchi, E Ishihara, M Iwasa, N Iwasaki, H Kanno, S Kubono, S Kurita, K Kurokawa, M Matsuyama, YU Michimasa, S Miller, K Minemura, T Motobayashi, T Murakami, T Notani, M Odahara, A Saito, A Sakurai, H Takeshita, E Takeuchi, S Tamaki, M Teranishi, T Yamada, K Yanagisawa, Y Hamamoto, I AF Shimoura, S. Ota, S. Demichi, K. Aoi, N. Baba, H. Elekes, Z. Fukuchi, T. Gomi, T. Hasegawa, K. Ideguchi, E. Ishihara, M. Iwasa, N. Iwasaki, H. Kanno, S. Kubono, S. Kurita, K. Kurokawa, M. Matsuyama, Y. U. Michimasa, S. Miller, K. Minemura, T. Motobayashi, T. Murakami, T. Notani, M. Odahara, A. Saito, A. Sakurai, H. Takeshita, E. Takeuchi, S. Tamaki, M. Teranishi, T. Yamada, K. Yanagisawa, Y. Hamamoto, I. TI Lifetime of the isomeric O-2(+) state in Be-12 SO PHYSICS LETTERS B LA English DT Article DE lifetime; reduced matrix elements; radioactive beam experiment ID ELECTRIC MONOPOLE TRANSITIONS; N=8 SHELL CLOSURE; NUCLEI; HALOS AB Mean lifetime tau of the isomeric O-2(+) state in Be-12 has been determined by measuring decay spectra of delayed y-rays from stopped Be-12 2 nuclei produced by the projectile fragmentation of O-18 at 100 A MeV. A consistent value of tau = 331 +/- 12 ns was obtained from the time spectra of the E2 gamma decay to the 2(1)(+) state and the positron annihilation following the E0 decay to the ground state. Based on the observed branching ratio between the E2 and E0 decays, transition strengths of the two decay modes were deduced to be B(E2; O-2(+) -> 2(1)(+)) = 7.0 +/- 0.6 e(2) fm(4) and 2 1 1 (O-2(+) Sigma(i) e(i) r(i)(2) O-1(+)), = 0.87 +/- 0.03 e fM(2), respectively. (C) 2007 Elsevier B.V. All rights reserved. C1 Univ Tokyo, Ctr Nucl Study, Saitama 3510198, Japan. Rikkyo Univ, Dept Phys, Tokyo 1718501, Japan. RIKEN, Inst Phys & Chem Res, Saitama 3510198, Japan. Hungarian Acad Sci, Inst Nucl Res, H-4001 Debrecen, Hungary. Osaka Univ, Dept Phys, Osaka 5600043, Japan. Tohoku Univ, Dept Phys, Sendai, Miyagi 9808578, Japan. Univ Tokyo, Dept Phys, Tokyo 1130033, Japan. Michigan State Univ, NSCL, E Lansing, MI 48824 USA. Kyoto Univ, Dept Phys, Kyoto 6068502, Japan. Argonne Natl Lab, Argonne, IL 60439 USA. Kyushu Univ, Dept Phys, Fukuoka 8128581, Japan. Lund Univ, Lund Inst Technol, Div Math Phys, Lund, Sweden. Niels Bohr Inst, DK-2100 Copenhagen, Denmark. RP Shimoura, S (reprint author), Univ Tokyo, Ctr Nucl Study, Saitama 3510198, Japan. EM shimoura@cns.s.u-tokyo.ac.jp RI Teranishi, Takashi/D-2166-2012; Shimoura, Susumu/E-8692-2012; Elekes, Zoltan/J-4531-2012; SAKURAI, HIROYOSHI/G-5085-2014; U-ID, Kyushu/C-5291-2016; Takeuchi, Satoshi/O-1529-2016; Fukuchi, Tomonori/D-3855-2017; OI Shimoura, Susumu/0000-0003-4741-2865; Fukuchi, Tomonori/0000-0003-3566-9954; Elekes, Zoltan/0000-0003-0571-8719 NR 25 TC 48 Z9 50 U1 0 U2 2 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 OCT 11 PY 2007 VL 654 IS 3-4 BP 87 EP 91 DI 10.1016/j.physletb.2007.08.053 PG 5 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 222FX UT WOS:000250282600006 ER PT J AU Diehl, S Statler, TS AF Diehl, Steven Statler, Thomas S. TI The hot interstellar medium of normal elliptical galaxies. I. A Chandra gas gallery and comparison of X-ray and optical morphology SO ASTROPHYSICAL JOURNAL LA English DT Review DE cooling flows; galaxies : elliptical and lenticular, cD; galaxies : ISM; X-rays : galaxies; X-rays : ISM ID CCD SURFACE PHOTOMETRY; DARK-MATTER HALOES; KINEMATICAL DATA; COOLING FLOWS; FORNAX CLUSTER; VORONOI TESSELLATIONS; STELLAR KINEMATICS; FUNDAMENTAL PLANE; MASS-DISTRIBUTION; INTRINSIC SHAPES AB We present an X-ray analysis of 54 normal elliptical galaxies in the Chandra archive and isolate their hot gas component from the contaminating point-source emission, allowing us to conduct, for the first time, a morphological analysis on the gas alone. A comparison with optical images and photometry shows that the hot gas morphology has surprisingly little in common with the shape of the stellar distribution. We observe no correlation between optical and X-ray ellipticities in the inner regions where stellar mass dominates over dark matter. A shallow correlation would be expected if the gas had settled into hydrostatic equilibrium with the gravitational potential. Instead, observed X-ray ellipticities exceed optical ellipticities in many cases. We exclude rotation as the dominant factor to produce the gas ellipticities. The gas appears disturbed, and hydrostatic equilibrium is the exception rather than the rule. Nearly all hydrostatic models can be ruled out at 99% confidence, based on their inability to reproduce the optical-X-ray correlation and large X-ray ellipticities. Hydrostatic models not excluded are those in which dark matter either dominates over stellar mass inside the inner half-light radius or has a prominently cigar-shaped distribution, both of which can be ruled out on other grounds. We conclude that, even for rather X-ray-faint elliptical galaxies, the gas is at least so far out of equilibrium that it does not retain any information about the shape of the potential, and that X-ray-derived radial mass profiles may be in error by factors of order unity. C1 Ohio Univ, Dept Phys & Astron, Inst Astrophys, Athens, OH 45701 USA. Los Alamos Natl Lab, Theoret Astrophys Grp T 6, Los Alamos, NM 87545 USA. RP Diehl, S (reprint author), Ohio Univ, Dept Phys & Astron, Inst Astrophys, 251B Clippinger Res Labs, Athens, OH 45701 USA. EM diehl@lanl.gov; statler@ohio.edu OI Statler, Thomas/0000-0003-4909-9542 NR 102 TC 65 Z9 66 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 OCT 10 PY 2007 VL 668 IS 1 BP 150 EP 167 DI 10.1086/521009 PN 1 PG 18 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 218JA UT WOS:000250010600013 ER PT J AU Gilbert, AM Graham, JR AF Gilbert, Andrea M. Graham, James R. TI Feedback in the Antennae galaxies (NGC 4038/9). I. High-resolution infrared spectroscopy of winds from super star clusters SO ASTROPHYSICAL JOURNAL LA English DT Review DE galaxies : individual (NGC 4038/9, Antennae); galaxies : ISM; galaxies : starburst; galaxies : star clusters; HII regions; infrared : galaxies ID SPACE-TELESCOPE OBSERVATIONS; INITIAL MASS FUNCTION; SURFACE BRIGHTNESS PROFILES; YOUNG GLOBULAR-CLUSTERS; LARGE-MAGELLANIC-CLOUD; RICH STELLAR CLUSTERS; GIANT HII-REGIONS; WOLF-RAYET STARS; LUMINOSITY FUNCTION; SPIRAL GALAXIES AB We present high-resolution (R similar to 24,600) near-IR spectroscopy of the youngest super star clusters (SSCs) in the prototypical starburst merger, the Antennae galaxies. These SSCs are young (3-7 Myr old) and massive (10(5)-10(7) M-circle dot for a Kroupa initial mass function), and their spectra are characterized by broad, extended Brackett gamma(Br gamma) emission, so we refer to them as emission-line clusters (ELCs) to distinguish them from older SSCs. The Br gamma lines of most ELCs have supersonic widths (60-110 km s(-1) FWHM) and non-Gaussian wings whose velocities exceed the clusters' escape velocities. This high-velocity unbound gas is flowing out in winds that are powered by the clusters' massive O and Wolf-Rayet stars over the course of at least several crossing times. The large sizes of some ELCs relative to those of older SSCs may be due to expansion caused by these outflows; many of the ELCs may not survive as bound stellar systems, but rather dissipate rapidly into the field population. The observed tendency of older ELCs to be more compact than young ones is consistent with the preferential survival of the most concentrated clusters at a given age. C1 Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94550 USA. RP Gilbert, AM (reprint author), Univ Calif Berkeley, Dept Astron, 601 Campbell Hall, Berkeley, CA 94720 USA. EM andreagilbert@post.harvard.edu NR 113 TC 37 Z9 37 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 OCT 10 PY 2007 VL 668 IS 1 BP 168 EP 181 DI 10.1086/520910 PN 1 PG 14 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 218JA UT WOS:000250010600014 ER PT J AU Newberg, HJ Yanny, B Cole, N Beers, TC Fiorentin, PR Schneider, DP Wilhelm, R AF Newberg, Heidi Jo Yanny, Brian Cole, Nate Beers, Timothy C. Fiorentin, Paola Re Schneider, Donald P. Wilhelm, Ron TI The overdensity in Virgo, Sagittarius debris, and the asymmetric spheroid SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies : individual (Sagittarius); Galaxy : halo; Galaxy : structure ID DIGITAL SKY SURVEY; SURVEY PHOTOMETRIC SYSTEM; RR LYRAE SURVEY; MILKY-WAY; GALACTIC HALO; DWARF GALAXY; DATA RELEASE; SURVEY VIEW; TIDAL STREAM; STARS AB We investigate the relationship between several previously identified Galactic halo stellar structures in the direction of Virgo using imaging and spectroscopic observations of F turnoff stars and blue horizontal-branch stars from SDSS and SEGUE. We show that the Sagittarius dwarf leading tidal tail does not pass through the solar neighborhood; it misses the Sun by more than 15 kpc, passing through the Galactic plane outside the solar circle. Nor is it spatially coincident with the large stellar overdensity S297+ 63-20.5 in the Virgo constellation. S297+ 63-20.5 has a distinct turnoff color and kinematics. Faint (g(0) similar to 20.3) turnoff stars in S297+ 63-20.5 have line-of-sight, Galactic standard of rest velocities V-gsr = 130 +/- 10 km s(-1), opposite in sign to infalling Sgr tail stars. The path of the Sgr leading tidal tail is also inconsistent with the positions of some of the nearer stars with which it has been associated and whose velocities have favored models with prolate Milky Way potentials. We also show that the number densities of brighter (g(0) similar to 19.8) F turnoff stars are not symmetric about the Galactic center and that this discrepancy is not primarily due to the S297+ 63-20.5 moving group. Either the spheroid is asymmetric about the Galactic center or there are additional substructures that conspire to be on the same side of the Galaxy as S297+ 63-20.5. The S297+ 63-20.5 overdensity in Virgo is likely associated with two other previously identified Virgo substructures: the Virgo stellar stream (VSS) and the Virgo overdensity (VOD). However, the velocity difference between the VSS and S297+ 63-20.5 and the difference in distance estimates between the VOD and S297+ 63-20.5 must be reconciled. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Michigan State Univ, Dept Phys & Astron, Ctr Study Cosm Evolut, E Lansing, MI 48824 USA. Michigan State Univ, Joint Inst Nucl Astrophys, E Lansing, MI 48824 USA. Max Planck Inst Astron, D-69117 Heidelberg, Germany. Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. Texas Tech Univ, Dept Phys, Lubbock, TX 79409 USA. RP Newberg, HJ (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. EM heidi@rpi.edu; yanny@fnal.gov OI Re Fiorentin, Paola/0000-0002-4995-0475 NR 46 TC 78 Z9 80 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 OCT 10 PY 2007 VL 668 IS 1 BP 221 EP 235 DI 10.1086/521068 PN 1 PG 15 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 218JA UT WOS:000250010600018 ER PT J AU Fragile, PC Blaes, OM Anninos, P Salmonson, JD AF Fragile, P. Chris Blaes, Omer M. Anninos, Peter Salmonson, Jay D. TI Global general relativistic magnetohydrodynamic simulation of a tilted black hole accretion disk SO ASTROPHYSICAL JOURNAL LA English DT Article DE accretion, accretion disks; black hole physics; galaxies : active; MHD; relativity; X-rays : stars ID QUASI-PERIODIC OSCILLATIONS; X-RAY BINARIES; HYDRODYNAMIC SIMULATIONS; JET FORMATION; GRO J1655-40; TORI; PRECESSION; XTE-J1550-564; EVOLUTION; EMISSION AB This paper presents a continuation of our efforts to numerically study accretion disks that are misaligned (tilted) with respect to the rotation axis of a Kerr black hole. Here we present results of a global numerical simulation which fully incorporates the effects of the black hole spacetime as well as magnetorotational turbulence that is the primary source of angular momentum transport in the flow. This simulation shows dramatic differences from comparable simulations of untilted disks. Accretion onto the hole occurs predominantly through two opposing plunging streams that start from high latitudes with respect to both the black hole and disk midplanes. This is due to the aspherical nature of the gravitational spacetime around the rotating black hole. These plunging streams start from a larger radius than would be expected for an untilted disk. In this regard, the tilted black hole effectively acts like an untilted black hole of lesser spin. Throughout the duration of the simulation, the main body of the disk remains tilted with respect to the symmetry plane of the black hole; thus, there is no indication of a Bardeen-Petterson effect in the disk at large. The torque of the black hole instead principally causes a global precession of the main disk body. In this simulation, the precession has a frequency of 3(M circle dot/ M) Hz, a value consistent with many observed low-frequency quasi-periodic oscillations. However, this value is strongly dependent on the size of the disk, so this frequency can be expected to vary over a large range. C1 Coll Charleston, Dept Phys & Astron, Charleston, SC 29424 USA. Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Fragile, PC (reprint author), Coll Charleston, Dept Phys & Astron, Charleston, SC 29424 USA. EM fragilep@cofc.edu NR 49 TC 134 Z9 134 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 OCT 10 PY 2007 VL 668 IS 1 BP 417 EP 429 DI 10.1086/521092 PN 1 PG 13 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 218JA UT WOS:000250010600034 ER PT J AU Wu, W Crawford, M AF Wu, Wenji Crawford, Matt TI Interactivity vs. fairness in networked Linux systems SO COMPUTER NETWORKS LA English DT Article DE Linux; process scheduling; interactivity; fairness; networking AB In general, the Linux 2.6 scheduler can ensure fairness and provide excellent interactive performance at the same time. However, our experiments and mathematical analysis have shown that the current Linux interactivity mechanism tends to incorrectly categorize non-interactive network applications as interactive, which can lead to serious fairness or starvation issues. In the extreme, a single process can unjustifiably obtain up to 95% of the CPU! The root cause is due to the facts that: (1) network packets arrive at the receiver independently and discretely, and the "relatively fast" non-interactive network process might frequently sleep to wait for packet arrival. Though each sleep lasts for a very short period of time, the wait-for-packet sleeps occur so frequently that they lead to interactive status for the process. (2) The current Linux interactivity mechanism provides the possibility that a non-interactive network process could receive a high CPU share, and at the same time be incorrectly categorized as interactive. In this paper, we propose and test a possible solution to address the interactivity vs. fairness problems. Experiment results have proved the effectiveness of the proposed solution. (C) 2007 Elsevier B.V. All rights reserved. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Wu, W (reprint author), Fermilab Natl Accelerator Lab, MS-368, Batavia, IL 60510 USA. EM wenji@fnal.gov; crawdad@fnal.gov NR 25 TC 4 Z9 4 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1389-1286 J9 COMPUT NETW JI Comput. Netw. PD OCT 10 PY 2007 VL 51 IS 14 BP 4050 EP 4069 DI 10.1016/j.comnet.2007.04.012 PG 20 WC Computer Science, Hardware & Architecture; Computer Science, Information Systems; Engineering, Electrical & Electronic; Telecommunications SC Computer Science; Engineering; Telecommunications GA 204XI UT WOS:000249076900006 ER PT J AU Strohmaier, E Shan, HZ AF Strohmaier, Erich Shan, Hongzhang TI APEX-Map: a parameterized scalable memory access probe for high-performance computing systems SO CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE LA English DT Article; Proceedings Paper CT EuroPar 2005 Conference CY AUG, 2005 CL Univ Nova Lisboa, Lisbon, PORTUGAL HO Univ Nova Lisboa DE performance evaluation; benchmarking; workload characterization; high-performance computing; performance modeling; data locality ID MARKETPLACE AB The memory wall between the peak performance of microprocessors and their memory performance has become the prominent performance bottleneck for many scientific application codes. New benchmarks measuring data access speeds locally and globally in a variety of different ways are needed to explore the ever increasing diversity of architectures for high-performance computing. In this paper, we introduce a novel benchmark, APEX-Map, which focuses on global data movement and measures how fast global data can be fed into computational units. APEX-Map is a parameterized, synthetic performance probe and integrates concepts for temporal and spatial locality into its design. Our first parallel implementation in MPI and various results obtained with it are discussed in detail. By measuring the APEX-Map performance with parameter sweeps for a whole range of temporal and spatial localities performance surfaces can be generated. These surfaces are ideally suited to study the characteristics of the computational platforms and are useful for performance comparison. Results on a global-memory vector platform and distributed-memory superscalar platforms clearly reflect the design differences between these different architectures. Published in 2007 by John Wiley & Sons, Ltd. C1 Lawrence Berkeley Lab, Future Technol Grp, Comp Res Div, Berkeley, CA 94720 USA. RP Strohmaier, E (reprint author), Lawrence Berkeley Lab, Future Technol Grp, Comp Res Div, One Cyclon Rd, Berkeley, CA 94720 USA. EM estrohmaier@lbl.gov NR 17 TC 4 Z9 4 U1 0 U2 2 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 1532-0626 J9 CONCURR COMP-PRACT E JI Concurr. Comput.-Pract. Exp. PD OCT 10 PY 2007 VL 19 IS 17 BP 2185 EP 2205 DI 10.1002/cpe.1166 PG 21 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA 232FH UT WOS:000251003200002 ER PT J AU Mohr, B DeRose, L Vetter, J AF Mohr, Bernd DeRose, Luiz Vetter, Jeffrey TI A framework for performance analysis of Co-Array Fortran SO CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE LA English DT Article; Proceedings Paper CT EuroPar 2005 Conference CY AUG, 2005 CL Univ Nova Lisboa, Lisbon, PORTUGAL HO Univ Nova Lisboa DE performance analysis; co-array Fortran ID INTERFACE; OPENMP; TOOL AB Co-Array Fortran (CAF) is a parallel programming extension to Fortran that provides a straightforward mechanism for representing distributed memory communication and, in particular, one-sided communication. Although this integration of communication primitives with the language improves programmer productivity, this new level of abstraction makes the analysis of CAF performance mode difficult. This situation is due, in part, to a lack of tools for the analysis of CAF applications. In this paper, we present an extension to the KOJAK toolkit based on a source-to-source translator that supports performance instrumentation, data collection, trace generation, and performance visualization of CAF applications. We illustrate this approach with a performance visualization of a CAF version of the Halo kernel benchmark using the VAMPIR event trace visualization tool. Copyright (c) 2007 John Wiley & Sons, Ltd. C1 Forschungszentrum Julich, D-52425 Julich, Germany. Cray Inc, Mendota Hts, MN USA. Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Mohr, B (reprint author), Forschungszentrum Julich, D-52425 Julich, Germany. EM b.mohr@fz-juelich.de OI Mohr, Bernd/0000-0001-9960-5867 NR 16 TC 0 Z9 0 U1 1 U2 4 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 1532-0626 J9 CONCURR COMP-PRACT E JI Concurr. Comput.-Pract. Exp. PD OCT 10 PY 2007 VL 19 IS 17 BP 2207 EP 2218 DI 10.1002/epe.1169 PG 12 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA 232FH UT WOS:000251003200003 ER PT J AU Singh, K Ipek, E Mckee, SA de Supinski, BR Schuiz, M Caruana, R AF Singh, Karan Ipek, Engin McKee, Sally A. de Supinski, Bronis R. Schuiz, Martin Caruana, Rich TI Predicting parallel application performance via machine learning approaches SO CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE LA English DT Article; Proceedings Paper CT EuroPar 2005 Conference CY AUG, 2005 CL Univ Nova Lisboa, Lisbon, PORTUGAL HO Univ Nova Lisboa DE high-performance computing; performance modeling; artificial neural networks AB Consistently growing architectural complexity and machine scales make the creation of accurate performance models for large-scale applications increasingly challenging. Traditional analytic models are difficult and time consuming to construct, and are often unable to capture full system and application complexity. To address these challenges, we automatically build models based on execution samples. We use multilayer neural networks, because they can represent arbitrary functions and handle noisy inputs robustly. In this paper we focus on two well-known parallel applications whose variations in execution times are not well understood: SMG 2000, a semicoarsening multigrid solver, and HPL, an open-source implementation of LINPACK. We sparsely sample performance data on two radically different platforms across large, multidimensional parameter spaces and show that our models based on these data can predict performance within 2% to 7% of actual application runtimes. Copyright (c) 2007 John Wiley & Sons, Ltd. C1 Cornell Univ, Comp Syst Lab, Ithaca, NY 14853 USA. Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94551 USA. Cornell Univ, Dept Commun Sci, Ithaca, NY 14853 USA. RP Mckee, SA (reprint author), Cornell Univ, 324 Rhodes Hall, Ithaca, NY 14853 USA. EM sam@csl.comelf.edu NR 16 TC 14 Z9 14 U1 0 U2 2 PU JOHN WILEY & SONS LTD PI CHICHESTER PA THE ATRIUM, SOUTHERN GATE, CHICHESTER PO19 8SQ, W SUSSEX, ENGLAND SN 1532-0626 J9 CONCURR COMP-PRACT E JI Concurr. Comput.-Pract. Exp. PD OCT 10 PY 2007 VL 19 IS 17 BP 2219 EP 2235 DI 10.1002/cpe.1171 PG 17 WC Computer Science, Software Engineering; Computer Science, Theory & Methods SC Computer Science GA 232FH UT WOS:000251003200004 ER PT J AU Halpern, MB AF Halpern, M. B. TI The orbifolds of permutation-type as physical string systems at multiples of c=26 II. The twisted BRST systems of (c)over-cap=52 matter SO INTERNATIONAL JOURNAL OF MODERN PHYSICS A LA English DT Article DE string theory; orbifold theory; conformal field theory ID ALGEBRA; DIMENSIONS; GEOMETRY; MODELS AB This is the second in a series of papers which consider the orbifolds of permutation-type as candidates for new physical string systems at higher central charge. In the first paper, I worked out the extended actions of the twisted sectors of those orbifolds-which exhibit new permutation-twisted worldsheet gravities and correspondingly extended diffeornorphism groups. In this paper I begin the study of these systems as operator string theories, limiting the discussion for simplicity to the strings with (c) over cap= 52 matter (which are those governed by Z(2)-twisted permutation gravity). In particular, I present here a construction of the twisted reparametrization ghosts and new twisted BRST systems of all (c) over cap = 52 strings. The twisted BRST systems also imply new extended physical state conditions, whose analysis for individual (c) over cap = 52 strings is deferred to the next paper of the series. C1 [Halpern, M. B.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Halpern, M. B.] Univ Calif Berkeley, Theoret Phys Grp, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Halpern, MB (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM halpern@physics.berkeley.edu NR 33 TC 3 Z9 3 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 OCT 10 PY 2007 VL 22 IS 25 BP 4587 EP 4602 DI 10.1142/S0217751X07037226 PG 16 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 242GW UT WOS:000251713600002 ER PT J AU Benmore, CJ Mei, Q Siewenie, JE Yarger, JL AF Benmore, C. J. Mei, Q. Siewenie, J. E. Yarger, J. L. TI Comment on 'Microscopic structural evolution during the liquid-liquid transition in triphenyl phosphite' by R Kurita, Y Shinohara, Y Amemiya and H Tanaka J. Phys.: Condens. Matter 19 (2007) 152101 SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Editorial Material AB In the communication by Kurita et al 2007 J. Phys.: Condens. Matter 19 152101, peaks in the liquid diffraction pattern of triphenyl phosphite have been attributed to intermolecular phosphor-phosphor distances. Based on our previous neutron and x-ray diffraction studies we argue that this assignment is incorrect and the peak contributions are likely to be much more complex. C1 Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. Argonne Natl Lab, Intense Pulsed Neutron Source Div, Argonne, IL 60439 USA. Arizona State Univ, Dept Chem & Biochem, Tempe, AZ 85287 USA. RP Benmore, CJ (reprint author), Argonne Natl Lab, Xray Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. RI Yarger, Jeff/L-8748-2014; OI Yarger, Jeff/0000-0002-7385-5400; Benmore, Chris/0000-0001-7007-7749 NR 3 TC 1 Z9 1 U1 0 U2 23 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 OCT 10 PY 2007 VL 19 IS 40 AR 408001 DI 10.1088/0953-8984/19/40/408001 PG 2 WC Physics, Condensed Matter SC Physics GA 216GD UT WOS:000249865600038 PM 22049134 ER PT J AU d'Avezac, M Zunger, A AF d'Avezac, Mayeul Zunger, Alex TI Finding the atomic configuration with a required physical property in multi-atom structures SO JOURNAL OF PHYSICS-CONDENSED MATTER LA English DT Article ID MONTE-CARLO SIMULATIONS; PHASE-DIAGRAMS; NANOPARTICLES; ALLOYS AB In many problems in molecular and solid state structures one seeks to determine the energy- minimizing decoration of sites with different atom types. In other problems, one is interested in finding a decoration with a target physical property ( e. g. alloy band gap) within a certain range. In both cases, the sheer size of the configurational space can be horrendous. We present two approaches which identify either the minimum- energy configuration or configurations with a target property for a fixed underlying Bravais lattice. We compare their efficiency at locating the deepest minimum energy configuration of face centered cubic Au - Pd alloy. We show that a global- search genetic- algorithm approach with diversity- enhancing constraints and reciprocal- space mating can efficiently find the global optimum, whereas the local- search virtual- atom approach presented here is more efficient at finding structures with a target property. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP d'Avezac, M (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. RI Zunger, Alex/A-6733-2013; OI d'Avezac, Mayeul/0000-0002-2615-8397 NR 28 TC 11 Z9 11 U1 0 U2 7 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0953-8984 J9 J PHYS-CONDENS MAT JI J. Phys.-Condes. Matter PD OCT 10 PY 2007 VL 19 IS 40 AR 402201 DI 10.1088/0953-8984/19/40/402201 PG 7 WC Physics, Condensed Matter SC Physics GA 216GD UT WOS:000249865600001 PM 22049098 ER PT J AU Wiench, JW Bronnimann, CE Lin, VSY Pruski, M AF Wiench, Jerzy W. Bronnimann, Charles E. Lin, Victor S. -Y Pruski, Marek TI Chemical shift correlation NMR spectroscopy with indirect detection in fast rotating solids: Studies of organically functionalized mesoporous silicas SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID SENSITIVITY ENHANCEMENT; N-15 NMR; STATE; PROTEINS; CONDENSATION; H-1 AB The first indirectly detected C-13-H-1 solid-state NMR correlation spectra of species bound to a surface are reported. The experiments were performed at 14.1 T under fast (40 kHz) MAS. The sensitivity gain was demonstrated on a mesoporous silica sample containing approximately 300 mu g of covalently bound allyl groups, in the absence of templating molecules and without isotope enrichment. A well-resolved two-dimensional spectrum was acquired in 15 min, which is more than 10 times faster than using direct detection of C-13 nuclei. C1 Iowa State Univ, Dept Chem, Ames Lab, Ames, IA 50011 USA. RP Pruski, M (reprint author), Iowa State Univ, Dept Chem, Ames Lab, Ames, IA 50011 USA. EM mpruski@iastate.edu NR 21 TC 53 Z9 53 U1 0 U2 25 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD OCT 10 PY 2007 VL 129 IS 40 BP 12076 EP + DI 10.1021/ja074746+ PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 217LO UT WOS:000249949600011 PM 17877353 ER PT J AU Rodriguez, BJ Jesse, S Baddorf, AP Zhao, T Chu, YH Ramesh, R Eliseev, EA Morozovska, AN Kalinin, SV AF Rodriguez, Brian J. Jesse, Stephen Baddorf, Arthur P. Zhao, T. Chu, Y. H. Ramesh, R. Eliseev, Eugene A. Morozovska, Anna N. Kalinin, Sergei V. TI Spatially resolved mapping of ferroelectric switching behavior in self-assembled multiferroic nanostructures: strain, size, and interface effects SO NANOTECHNOLOGY LA English DT Article ID EPITAXIAL BIFEO3 FILMS; MAGNETOELECTRIC MULTIFERROICS; POLARIZATION IMPRINT; ELECTRIC-FIELD AB Local ferroelectric polarization switching in multiferroic BiFeO3-CoFe2O4 nanostructures is studied using switching spectroscopy piezoresponse force microscopy (SS-PFM). Dynamic parameters such as the work of switching are found to vary gradually with distance from the heterostructure interfaces, while nucleation and coercive biases are uniform within the ferroelectric phase. We demonstrate that the electrostatic and elastic fields at interfaces do not affect switching and nucleation behavior. Rather, the observed evolution of switching properties is a geometric effect of the heterointerface on the signal generation volume in PFM. This implies that the heterostructures can be successfully used in devices, since interfaces do not act as preferential sites for switching. At the same time, small systematic variations of switching properties within the ferroelectric component can be ascribed to the long-range elastic and electrostatic fields in the heterostructure, which can be visualized in 2D. C1 Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. Ctr Nanophase Mat Sci, Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA USA. Univ Calif Berkeley, Dept Phys, Berkeley, CA USA. Natl Acad Sci Ukraine, Inst Problems Mat Sci, UA-03142 Kiev, Ukraine. Natl Acad Sci Ukraine, V Lashkaryov Inst Semicond Phys, UA-03028 Kiev, Ukraine. RP Kalinin, SV (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM sergei2@ornl.gov RI Kalinin, Sergei/I-9096-2012; Ying-Hao, Chu/A-4204-2008; Rodriguez, Brian/A-6253-2009; Jesse, Stephen/D-3975-2016; Baddorf, Arthur/I-1308-2016 OI Kalinin, Sergei/0000-0001-5354-6152; Ying-Hao, Chu/0000-0002-3435-9084; Rodriguez, Brian/0000-0001-9419-2717; Jesse, Stephen/0000-0002-1168-8483; Baddorf, Arthur/0000-0001-7023-2382 NR 29 TC 36 Z9 36 U1 4 U2 35 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0957-4484 J9 NANOTECHNOLOGY JI Nanotechnology PD OCT 10 PY 2007 VL 18 IS 40 AR 405701 DI 10.1088/0957-4484/18/40/405701 PG 8 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied SC Science & Technology - Other Topics; Materials Science; Physics GA 214KC UT WOS:000249735400018 ER PT J AU Kerrien, S Orchard, S Montecchi-Palazzi, L Aranda, B Quinn, AF Vinod, N Bader, GD Xenarios, I Wojcik, J Sherman, D Tyers, M Salama, JJ Moore, S Ceol, A Chatr-aryamontri, A Oesterheld, M Stumpflen, V Salwinski, L Nerothin, J Cerami, E Cusick, ME Vidal, M Gilson, M Armstrong, J Woollard, P Hogue, C Eisenberg, D Cesareni, G Apweiler, R Hermjakob, H AF Kerrien, Samuel Orchard, Sandra Montecchi-Palazzi, Luisa Aranda, Bruno Quinn, Antony F. Vinod, Nisha Bader, Gary D. Xenarios, Ioannis Wojcik, Jerome Sherman, David Tyers, Mike Salama, John J. Moore, Susan Ceol, Arnaud Chatr-aryamontri, Andrew Oesterheld, Matthias Stuempflen, Volker Salwinski, Lukasz Nerothin, Jason Cerami, Ethan Cusick, Michael E. Vidal, Marc Gilson, Michael Armstrong, John Woollard, Peter Hogue, Christopher Eisenberg, David Cesareni, Gianni Apweiler, Rolf Hermjakob, Henning TI Broadening the horizon - level 2.5 of the HUPO-PSI format for molecular interactions SO BMC BIOLOGY LA English DT Software Review ID DATABASE; RESOURCE; GUIDELINES; UPDATE AB Background: Molecular interaction Information is a key resource in modern biomedical research. Publicly available data have previously been provided in a broad array of diverse formats, making access to this very difficult. The publication and wide implementation of the Human Proteome Organisation Proteomics Standards Initiative Molecular Interactions ( HUPO PSI-MI) format in 2004 was a major step towards the establishment of a single, unified format by which molecular interactions should be presented, but focused purely on protein-protein interactions. Results: The HUPO-PSI has further developed the PSI-MI XML schema to enable the description of interactions between a wider range of molecular types, for example nucleic acids, chemical entities, and molecular complexes. Extensive details about each supported molecular interaction can now be captured, including the biological role of each molecule within that interaction, detailed description of interacting domains, and the kinetic parameters of the interaction. The format is supported by data management and analysis tools and has been adopted by major interaction data providers. Additionally, a simpler, tab-delimited format MITAB2.5 has been developed for the benefit of users who require only minimal information in an easy to access configuration. Conclusion: The PSI-MI XML2.5 and MITAB2.5 formats have been jointly developed by interaction data producers and providers from both the academic and commercial sector, and are already widely implemented and well supported by an active development community. PSI-MI XML2.5 enables the description of highly detailed molecular interaction data and facilitates data exchange between databases and users without loss of information. MITAB2.5 is a simpler format appropriate for fast Perl parsing or loading into Microsoft Excel. C1 [Kerrien, Samuel; Orchard, Sandra; Montecchi-Palazzi, Luisa; Aranda, Bruno; Quinn, Antony F.; Vinod, Nisha; Apweiler, Rolf; Hermjakob, Henning] European Bioinformat Inst, Cambridge, England. [Bader, Gary D.] Univ Toronto, Banting & Best Dept Med Res, Toronto, ON, Canada. [Bader, Gary D.] Univ Toronto, Terrace Donnelly Ctr Cellular & Biomol Res, Toronto, ON, Canada. [Bader, Gary D.; Tyers, Mike] Mt Sinai Hosp, Samuel Lunenfeld Res Inst, Toronto, ON M5G 1X5, Canada. [Xenarios, Ioannis; Wojcik, Jerome] Merck Serono, CH-1211 Geneva, Switzerland. [Sherman, David] ENSI Elect Informat & Radiocomm Bordeaux, Lab Bordelais Rech Informat, Bordeaux, France. [Salama, John J.; Moore, Susan] Blueprint Initiat Mt Sinai Hosp, Toronto, ON M5G 1X5, Canada. [Moore, Susan] Natl Univ Singapore, OLS, Ctr Life Sci, Singapore 117548, Singapore. [Ceol, Arnaud; Chatr-aryamontri, Andrew; Cesareni, Gianni] Univ Roma Tor Vergata, Dept Biol, I-00173 Rome, Italy. [Oesterheld, Matthias; Stuempflen, Volker] GSF Natl Res Ctr Environm & Hlth, Inst Bioinformat, Neuherberg, Germany. [Salwinski, Lukasz; Nerothin, Jason; Eisenberg, David] Univ Calif Los Angeles, UCLA DOE Inst Genom & Proteom, Los Angeles, CA USA. [Cerami, Ethan] Mem Sloan Kettering Canc Ctr, Computat Biol Ctr, New York, NY 10021 USA. [Cusick, Michael E.; Vidal, Marc] Dana Farber Canc Inst, CCSB, Boston, MA 02115 USA. [Cusick, Michael E.; Vidal, Marc] Dana Farber Canc Inst, Dept Canc, Boston, MA 02115 USA. [Cusick, Michael E.; Vidal, Marc] Harvard Univ, Sch Med, Dept Genet, Boston, MA USA. [Gilson, Michael] Univ Maryland, Maryland Biotechnol Inst, Ctr Adv Res Biotechnol, Rockville, MD 20850 USA. [Armstrong, John; Woollard, Peter] Glaxo Smithkline Med Res Ctr, Stevenage, Herts, England. [Hogue, Christopher] Univ Toronto, Dept Biochem, Toronto, ON, Canada. RP Kerrien, S (reprint author), European Bioinformat Inst, Wellcome Trust Genome Campus, Cambridge, England. EM skerrien@ebi.ac.uk; orchard@ebi.ac.uk; luisa@ebi.ac.uk; baranda@ebi.ac.uk; aquinn@ebi.ac.uk; nvinod@ebi.ac.uk; bader@cbio.mskcc.org; ioannis.xenarios@isb-sib.ch; Jerome.Wojcik@serono.com; david.sherman@enseirb.fr; tyers@mshri.on.ca; jjsalama@gmail.com; susanmoore197@hotmail.com; arnaud.ceol@uniroma2.it; aryamontri@hotmail.com; m.oesterheld@gsf.de; v.stuempflen@gsf.de; lukasz@mbi.ucla.edu; jason@mbi.ucla.edu; cerami@cbio.mskcc.org; Michael_cusick@dfci.harvard.edu; marc_vidal@dfci.harvard.edu; gilson@umbi.umd.edu; john.t.armstrong@gsk.com; peter.m.woollard@gsk.com; cwvhogue@gmail.com; david@mbi.ucla.edu; cesareni@uniroma2.it; apweiler@ebi.ac.uk; hhe@ebi.ac.uk RI Bader, Gary/C-1176-2009; Ceol, Arnaud/H-3386-2012; OI Bader, Gary/0000-0003-0185-8861; Ceol, Arnaud/0000-0001-9533-4246; Apweiler, Rolf/0000-0001-7078-200X; Quinn, Antony/0000-0002-0596-7638; Kerrien, Samuel/0000-0002-3013-0469; Orchard, Sandra/0000-0002-8878-3972; Hermjakob, Henning/0000-0001-8479-0262; Xenarios, Ioannis/0000-0002-3413-6841 FU NIGMS NIH HHS [1 R01 GM071909, GM070064, R01 GM070064, R01 GM071909] NR 18 TC 144 Z9 147 U1 0 U2 7 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1741-7007 J9 BMC BIOL JI BMC Biol. PD OCT 9 PY 2007 VL 5 AR 44 DI 10.1186/1741-7007-5-44 PG 11 WC Biology SC Life Sciences & Biomedicine - Other Topics GA 252MA UT WOS:000252449400001 PM 17925023 ER PT J AU Adamska, M Matus, DQ Adamski, M Green, K Rokhsar, DS Martindale, MQ Degnan, BM AF Adamska, Maja Matus, David Q. Adamski, Marcin Green, Kathryn Rokhsar, Daniel S. Martindale, Mark Q. Degnan, Bernard M. TI The evolutionary origin of hedgehog proteins SO CURRENT BIOLOGY LA English DT Letter ID CELL-ADHESION; GENES; COMPLEXITY C1 Univ Queensland, Sch Integrat Biol, Brisbane, Qld 4072, Australia. Univ Hawaii, Pacific Biosci Res Ctr, Kewalo Marine Lab, Honolulu, HI 96813 USA. US DOE, Joint Genome Inst, Walnut Creek, CA 94598 USA. Univ Calif Berkeley, Ctr Integrat Genom, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. RP Adamska, M (reprint author), Univ Queensland, Sch Integrat Biol, Brisbane, Qld 4072, Australia. EM b.degnan@uq.edu.au RI Adamska, Maja/M-4128-2014; Matus, David/E-9972-2010 OI Matus, David/0000-0002-1570-5025 NR 8 TC 66 Z9 68 U1 2 U2 9 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0960-9822 J9 CURR BIOL JI Curr. Biol. PD OCT 9 PY 2007 VL 17 IS 19 BP R836 EP R837 DI 10.1016/j.cub.2007.08.010 PG 2 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 219YX UT WOS:000250125200012 PM 17925209 ER PT J AU Roberts, BJ Mulholland, PJ AF Roberts, Brian J. Mulholland, Patrick J. TI In-stream biotic control on nutrient biogeochemistry in a forested stream, West Fork of Walker Branch SO JOURNAL OF GEOPHYSICAL RESEARCH-BIOGEOSCIENCES LA English DT Article ID MEDITERRANEAN STREAM; HEADWATER STREAMS; NITROGEN EXPORT; NITRATE UPTAKE; DESERT STREAM; RETENTION; AMMONIUM; METABOLISM; SUCCESSION; DYNAMICS AB A growing body of evidence demonstrates the importance of in-stream processing in regulating nutrient export, yet the influence of temporal variability in stream metabolism on net nutrient uptake has not been explicitly addressed. Stream water DIN and SRP concentrations in Walker Branch, a first-order deciduous forest stream in eastern Tennessee, show a repeated pattern of annual maxima in summer and biannual minima in spring and autumn. Temporal variations in catchment hydrologic flow paths result in lower winter and higher summer nutrient concentrations, but do not explain the spring and autumn nutrient minima. Ambient nutrient uptake rates were measured 2-3 times per week over an 18-month period and compared to daily rates of gross primary production (GPP) and ecosystem respiration (ER) to examine the influence of in-stream biotic activity on nutrient export. GPP and ER rates explained 81% of the variation in net DIN retention with high net NO3- uptake ( and lower net NH4+ release) rates occurring during spring and autumn and net DIN release in summer. Diel nutrient concentration patterns were examined several times throughout the year to determine the relative importance of autotrophic and heterotrophic activity on net nutrient uptake. High spring GPP corresponded to daily decreases in NO3- over the illuminated hours resulting in high diel NO3- amplitude which dampened as the canopy closed. GPP explained 91% of the variance in diel NO3- amplitude. In contrast, the autumn nutrient minima was largely explained by heterotrophic respiration since GPP remained low and little diel NO3- variation was observed during the autumn. C1 Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Roberts, BJ (reprint author), Louisiana Univ Marine Consortium, Chauvin, LA 70344 USA. EM roberts@lumcon.edu RI Mulholland, Patrick/C-3142-2012 NR 43 TC 70 Z9 70 U1 0 U2 37 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0148-0227 J9 J GEOPHYS RES-BIOGEO JI J. Geophys. Res.-Biogeosci. PD OCT 9 PY 2007 VL 112 IS G4 AR G04002 DI 10.1029/2007JG000422 PG 11 WC Environmental Sciences; Geosciences, Multidisciplinary SC Environmental Sciences & Ecology; Geology GA 221IC UT WOS:000250219600001 ER PT J AU Saab, MA Abdel-Malak, R Wishart, JF Ghaddar, TH AF Saab, Manal Abi Abdel-Malak, Rouba Wishart, James F. Ghaddar, Tarek H. TI Photocurrent generation in layer-by-layer assembled dendrimers with ruthenium tris-bipyridine peripheral groups and a viologen-like core SO LANGMUIR LA English DT Article ID PHOTOINDUCED ELECTRON-TRANSFER; POLY(ARYL ETHER) DENDRIMERS; TRIPLET ENERGY-TRANSFER; MULTILAYER FILMS; POLY(AMIDOAMINE) DENDRIMER; PORPHYRIN DENDRIMERS; DISTANCE DEPENDENCE; GOLD-DENDRIMER; REDOX-GRADIENT; FLUORESCENCE AB The photophysical and photoelectrochemical properties of first- and second-generation dendrimers with ruthenium tris-bipyridine peripheral groups and a tri-viologen like core (RU(3)A(3) and RU6V3) were investigated in solution and when embedded within assembled films. The stepwise assembly of these dendrimers on quartz and ITO surfaces utilizing the layer-by-layer approach was investigated. The amount of the assembled dendrimers was found to increase on going to the higher generation dendrimer. This dendrimer generation effect was evident from the UV-vis, atomic force microscopy, and electrochemical measurements of the dendrimers in either solution phase or when embedded in films. The anodic and cathodic photocurrent generation was seen upon visible light irradiation, with higher photocurrents for RU6V3 than RU(3)A(3). This observation was attributed to better light-harvesting properties, thicker films, and slower charge recombination processes in RU6V3 when compared to RU(3)A(3). C1 Amer Univ Beirut, Dept Chem, Beirut 110236, Lebanon. Fordham Univ, Dept Nat Sci, New York, NY 10023 USA. Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. RP Ghaddar, TH (reprint author), Amer Univ Beirut, Dept Chem, Beirut 110236, Lebanon. EM tg02@aub.edu.lb RI Wishart, James/L-6303-2013 OI Wishart, James/0000-0002-0488-7636 NR 64 TC 20 Z9 20 U1 0 U2 13 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD OCT 9 PY 2007 VL 23 IS 21 BP 10807 EP 10815 DI 10.1021/1001574j PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 217LF UT WOS:000249948700052 PM 17877379 ER PT J AU Yang, D Piech, M Bell, NS Gust, D Vail, S Garcia, AA Schneider, J Park, CD Hayes, MA Picraux, ST AF Yang, Dongqing Piech, Marcin Bell, Nelson S. Gust, Devens Vail, Sean Garcia, Antonio A. Schneider, John Park, Choong-Do Hayes, Mark A. Picraux, S. T. TI Photon control of liquid motion on reversibly photoresponsive surfaces SO LANGMUIR LA English DT Article ID AZOBENZENE; SPIROPYRANS; MONOLAYERS; SCALES; LAYERS AB The movement of a liquid droplet on a flat surface functionalized with a photochromic azobenzene may be driven by the irradiation of spatially distinct areas of the drop with different UV and visible light fluxes to create a gradient in the surface tension. In order to better understand and control this phenomenon, we have measured the wetting characteristics of these surfaces for a variety of liquids after UV and visible light irradiation. The results are used to approximate the components of the azobenzene surface energy under UV and visible light using the van Oss-Chaudhury-Good equation. These components, in combination with liquid parameters, allow one to estimate the strength of the surface interaction as given by the advancing contact angle for various liquids. The azobenzene monolayers were formed on smooth air-oxidized Si surfaces through 3-aminopropylmethyidiethoxysilane linkages. The experimental advancing and receding contact angles were determined following azobenzene photoisomerization under visible and ultraviolet (UV) light. Reversible light-induced advancing contact-angle changes ranging from 8 to 16 degrees were observed. A large reversible change in contact angle by photoswitching of 12.4 degrees was achieved for water. The millimeter-scale transport of 5 mu L droplets of certain liquids was achieved by creating a spatial gradient in visible/UV light across the droplets. A criterion for light-induced motion of droplets is shown to be consistent with the response of a variety of liquids. The type of light-driven fluid movement observed could have applications in microfluidic devices. C1 Arizona State Univ, Sch Mat, Dept Chem & Biochem, Harrington Dep Bioengn, Tempe, AZ 85287 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. RP Picraux, ST (reprint author), Arizona State Univ, Sch Mat, Dept Chem & Biochem, Harrington Dep Bioengn, Tempe, AZ 85287 USA. EM picraux@lanl.gov NR 35 TC 50 Z9 50 U1 1 U2 33 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0743-7463 J9 LANGMUIR JI Langmuir PD OCT 9 PY 2007 VL 23 IS 21 BP 10864 EP 10872 DI 10.1021/la701507r PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 217LF UT WOS:000249948700059 PM 17803327 ER PT J AU Firestone, RB West, A Kennett, JP Becker, L Bunch, TE Revay, ZS Schultz, PH Belgya, T Kennett, DJ Erlandson, JM Dickenson, OJ Goodyear, AC Harris, RS Howard, GA Kloosterman, JB Lechler, P Mayewski, PA Montgomery, J Poreda, R Darrah, T Hee, SSQ Smitha, AR Stich, A Topping, W Wittke, JH Wolbach, WS AF Firestone, R. B. West, A. Kennett, J. P. Becker, L. Bunch, T. E. Revay, Z. S. Schultz, P. H. Belgya, T. Kennett, D. J. Erlandson, J. M. Dickenson, O. J. Goodyear, A. C. Harris, R. S. Howard, G. A. Kloosterman, J. B. Lechler, P. Mayewski, P. A. Montgomery, J. Poreda, R. Darrah, T. Hee, S. S. Que Smitha, A. R. Stich, A. Topping, W. Wittke, J. H. Wolbach, W. S. TI Evidence for an extraterrestrial impact 12,900 years ago that contributed to the megafaunal extinctions and the Younger Dryas cooling SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE comet; iridium; micrometeorites; nanodiamonds; spheruies ID CRETACEOUS-TERTIARY BOUNDARY; FOLSOM; GREENLAND; WILDFIRES; CAROLINA; OVERKILL; IRIDIUM; CONTEXT; CLOVIS; CARBON AB A carbon-rich black layer, dating to approximate to 12.9 ka, has been previously identified at approximate to 50 Clovis-age sites across North America and appears contemporaneous with the abrupt onset of Younger Dryas (YD) cooling. The in situ bones of extinct Pleistocene megafauna, along with Clovis tool assemblages, occur below this black layer but not within or above it. Causes for the extinctions, YD cooling, and termination of Clovis culture have long been controversial. In this paper, we provide evidence for an extraterrestrial (ET) impact event at congruent to 12.9 ka, which we hypothesize caused abrupt environmental changes that contributed to YID cooling, major ecological reorganization, broad-scale extinctions, and rapid human behavioral shifts at the end of the Clovis Period. Clovis-age sites in North American are overlain by a thin, discrete layer with varying peak abundances of (i) magnetic grains with iridium, (ii) magnetic microspherules, (iii) charcoal, (iv) soot, (v) carbon spherules, (vi) glass-like carbon containing nanodiamonds, and (vii) fullerenes with ET helium, all of which are evidence for an ET impact and associated biomass burning at approximate to 12.9 ka. This layer also extends throughout at least 15 Carolina Bays, which are unique, elliptical depressions, oriented to the northwest across the Atlantic Coastal Plain. We propose that one or more large, low-density ET objects exploded over northern North America, partially destabilizing the Laurentide Ice Sheet and triggering YD cooling. The shock wave, thermal pulse, and event-related environmental effects (e.g., extensive biomass burning and food limitations) contributed to end-Pleistocene megafaunal extinctions and adaptive shifts among PaleoAmericans in North America. C1 Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Geosci Consulting, Dewey, AZ 86327 USA. Univ Calif Santa Barbara, Dept Earth Sci, Santa Barbara, CA 93106 USA. Univ Calif Santa Barbara, Inst Crustal Studies, Santa Barbara, CA 93106 USA. No Arizona Univ, Flagstaff, AZ 86011 USA. Inst Isotopes & Surface Chem, H-1525 Budapest, Hungary. Brown Univ, Dept Geol Sci, Providence, RI 02912 USA. Univ Oregon, Dept Anthropol, Eugene, OR 97403 USA. Univ Oregon, Museum Nat & Cultural Hist, Eugene, OR 97403 USA. Eastern New Mexico Univ, Portales, NM 88130 USA. Univ Nevada, Bur Mines & Geol, Reno, NV 89557 USA. Univ Maine, Climate Change Inst, Orono, ME 04469 USA. Univ Rochester, Rochester, NY 14627 USA. Univ Calif Los Angeles, Dept Environm Hlth Sci, Los Angeles, CA 90095 USA. De Paul Univ, Dept Chem, Chicago, IL 60614 USA. RP Firestone, RB (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM rbfirestone@lbl.gov RI Kennett, Douglas/I-7613-2015; Darrah, Tom/I-2253-2016; OI Kennett, Douglas/0000-0001-5133-9010; Erlandson, Jon/0000-0002-4705-4319; Firestone, Richard/0000-0003-3833-5546 NR 57 TC 236 Z9 248 U1 36 U2 257 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 OCT 9 PY 2007 VL 104 IS 41 BP 16016 EP 16021 DI 10.1073/pnas.0706977104 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 220AH UT WOS:000250128800011 PM 17901202 ER PT J AU Liu, F Duscher, G AF Liu, F. Duscher, G. TI Thermal annealing effect on the interface structure of high-kappa LaScO3 on silicon SO APPLIED PHYSICS LETTERS LA English DT Article ID OXIDES; FILMS AB The thermal stability of LaScO3 on Si was examined by various transmission electron microscopy techniques. The film remained amorphous up to 700 degrees C and became polycrystalline at 800 degrees C. All samples showed an interfacial layer about 3.5 nm thick, except for the 1000 degrees C-annealed sample, which had a thicker interfacial layer containing a thin silicate layer close to the interface with the substrate. Although the chemical composition of the bulk film was stoichiometric, the interfacial layer was oxygen-rich after postannealing. The interfacial layer remained amorphous up to 1000 degrees C, indicating that this interfacial layer itself may be used as a gate dielectric. (C) 2007 American Institute of Physics. C1 N Carolina State Univ, Dept Mat Sci, Raleigh, NC 27606 USA. Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Liu, F (reprint author), Natl Renewable Energy Lab, Nalt Ctr Photovolta, MailStop 3215, Golden, CO 80401 USA. EM fude_liu@nrel.gov RI Liu, Fude/E-9873-2010; Duscher, Gerd/G-1730-2014 OI Duscher, Gerd/0000-0002-2039-548X NR 15 TC 3 Z9 3 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD OCT 8 PY 2007 VL 91 IS 15 AR 152906 DI 10.1063/1.2799177 PG 3 WC Physics, Applied SC Physics GA 220EW UT WOS:000250140700042 ER PT J AU Liu, F Duscher, G AF Liu, F. Duscher, G. TI Chemical composition changes across the interface of amorphous LaScO3 on Si (001) SO APPLIED PHYSICS LETTERS LA English DT Article ID ELECTRONIC-STRUCTURE; METAL-OXIDES; SILICON AB An amorphous, high-dielectric-constant LaScO3 film was deposited directly on Si (001) by molecular-beam deposition at similar to 100 degrees C. Various transmission electron microscopy techniques were applied to study the interface at atomic resolution. We observed an similar to 3.5-nm-thick interfacial layer that was not previously detected with other techniques. The interfacial layer contained defects and its density changes gradually. The interface was not only structurally sharp but also chemically sharp within the detection limit of the experimental methods. The chemical composition of the bulk oxide film was stoichiometric, but the interfacial layer was oxygen poor. (C) 2007 American Institute of Physics. C1 N Carolina State Univ, Dept Mat Sci, Raleigh, NC 27606 USA. Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Liu, F (reprint author), Natl Renewable Energy Lab, Nalt Ctr Photovolta, MailStop 3215, Golden, CO 80401 USA. EM fude_liu@nrel.gov RI Liu, Fude/E-9873-2010; Duscher, Gerd/G-1730-2014 OI Duscher, Gerd/0000-0002-2039-548X NR 16 TC 4 Z9 4 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 OCT 8 PY 2007 VL 91 IS 15 AR 152901 DI 10.1063/1.2798246 PG 3 WC Physics, Applied SC Physics GA 220EW UT WOS:000250140700037 ER PT J AU Ruff, M Takehiro, N Liu, P Norskov, JK Behm, RJ AF Ruff, Martin Takehiro, Naoki Liu, Ping Norskov, Jens K. Behm, R. Juergen TI Size-specific chemistry on bimetallic surfaces: A combined experimental and theoretical study SO CHEMPHYSCHEM LA English DT Article DE adsorption; bimetallic catalysts; density functional calculations; ligand effects; surface chemistry ID CO ADSORPTION; AU/PD(111) SURFACES; ALLOY CATALYSTS; METAL-SURFACES; RU(0001); PD; COVERAGE; BOND C1 Tech Univ Denmark, Dept Phys, Ctr Atom Scale Mat Phys, DK-2800 Lyngby, Denmark. Univ Ulm, Inst Surface Chem & Catalysis, D-89069 Ulm, Germany. RP Behm, RJ (reprint author), Brookhaven Natl Lab, Dept Chem, Bldg 555, Upton, NY 11973 USA. EM norskov@fysik.dtu.dk; juergen.behm@chemie.uni-ulm.de RI Norskov, Jens/D-2539-2017 OI Norskov, Jens/0000-0002-4427-7728 NR 26 TC 44 Z9 44 U1 3 U2 23 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 1439-4235 EI 1439-7641 J9 CHEMPHYSCHEM JI ChemPhysChem PD OCT 8 PY 2007 VL 8 IS 14 BP 2068 EP 2071 DI 10.1002/cphc.200700070 PG 4 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 221UT UT WOS:000250253500004 PM 17806131 ER PT J AU Gorelenkov, NN Berk, HL Fredrickson, E Sharapov, SE AF Gorelenkov, N. N. Berk, H. L. Fredrickson, E. Sharapov, S. E. CA JET EFDA Contributors TI Predictions and observations of low-shear beta-induced shear Alfven-acoustic eigenmodes in toroidal plasmas SO PHYSICS LETTERS A LA English DT Article ID TEMPERATURE-GRADIENT EIGENMODES; DIII-D TOKAMAK; IDEAL MAGNETOHYDRODYNAMICS; KINETIC-THEORY; MODES; SPECTRUM; EXPLANATION; SYSTEMS; WAVES; JET AB New global MHD eigenmode solutions arising in gaps in the low frequency Alfven-acoustic continuum below the geodesic acoustic mode (GAM) frequency have been found numerically and have been used to explain relatively low frequency experimental signals seen in NSTX and JET tokamaks. These global eigenmodes, referred to here as Beta-induced Alfven-Acoustic Eigenmodes (BAAE), exist in the low magnetic safety factor region near the extrema of the Alfven-acoustic continuum. In accordance to the linear dispersion relations, the frequency of these modes shifts as the safety factor, q, decreases. We show that BAAEs can be responsible for observations in JET plasmas at relatively low beta < 2% as well as in NSTX plasmas at relatively high-beta > 20%. In contrast to the mostly electrostatic character of GAMs the new global modes also contain an electromagnetic (magnetic field line bending) component due to the Alfven coupling, leading to wave phase velocities along the field line that are large compared to the sonic speed. Qualitative agreement between theoretical predictions and observations are found. (C) 2007 Elsevier B.V. All rights reserved. C1 Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08544 USA. IFS, Austin, TX USA. UKAEA Euratom Fus Assoc, Culham Sci Ctr, Abingdon, Oxon, England. RP Gorelenkov, NN (reprint author), Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08544 USA. EM ngorelen@pppl.gov NR 25 TC 45 Z9 46 U1 2 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9601 J9 PHYS LETT A JI Phys. Lett. A PD OCT 8 PY 2007 VL 370 IS 1 BP 70 EP 77 DI 10.1016/j.physleta.2007.05.113 PG 8 WC Physics, Multidisciplinary SC Physics GA 228ZG UT WOS:000250770500013 ER PT J AU Tait, KT Trouw, F Zhao, YS Brown, CM Downs, RT AF Tait, Kimberly T. Trouw, Frans Zhao, Yusheng Brown, Craig M. Downs, Robert T. TI Inelastic neutron scattering study of hydrogen in d(8)-THF/D2O ice clathrate SO JOURNAL OF CHEMICAL PHYSICS LA English DT Article ID MOLECULAR-HYDROGEN; HYDRATE; CLUSTERS; H-2 AB In situ neutron inelastic scattering experiments on hydrogen adsorbed into a fully deutrated tetrahydrofuran-water ice clathrate show that the adsorbed hydrogen has three rotational excitations (transitions between J=0 and 1 states) at approximately 14 meV in both energy gain and loss. These transitions could be unequivocally assigned since there was residual orthohydrogen at low temperatures (slow conversion to the ground state) resulting in an observable J=1 -> 0 transition at 5 K (kT=0.48 meV). A doublet in neutron energy loss at approximately 28.5 meV is interpreted as J=1 -> 2 transitions. In addition to the transitions between rotational states, there are a series of peaks that arise from transitions between center-of-mass translational quantum states of the confined hydrogen molecule. A band at approximately 9 meV can be unequivocally interpreted as a transition between translational states, while broad features at 20, 25, 35, and 50-60 meV are also interpreted to as transitions between translational quantum states. A detailed comparison is made with a recent five-dimensional quantum treatment of hydrogen in the smaller dodecahedral cage in the SII ice-clathrate structure. Although there is broad agreement regarding the features such as the splitting of the J=1 degeneracy, the magnitude of the external potential is overestimated. The numerous transitions between translational states predicted by this model are in poor agreement with the experimental data. Comparisons are also made with three simple exactly solved models, namely, a particle in a box, a particle in a sphere, and a particle on the surface of a sphere. Again, there are too many predicted features by the first two models, but there is reasonable agreement with the particle on a sphere model. This is consistent with published quantum chemistry results for hydrogen in the dodecahedral 5(12) cage, where the center of the cage is found to be energetically unfavorable, resulting in a shell-like confinement for the hydrogen molecule wave function. These results demonstrate that translational quantum effects are very significant and a classical treatment of the hydrogen molecule dynamics is inappropriate under such conditions. (c) 2007 American Institute of Physics. C1 Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, Los Alamos, NM 87545 USA. NIST, Ctr Neutron Res, Gaithersburg, MD 20899 USA. Indiana Univ, Cyclotron Facil, Bloomington, IN 47408 USA. Univ Arizona, Dept Geosci, Tucson, AZ 85721 USA. RP Tait, KT (reprint author), Royal Ontario Museum, Dept Nat Hist, Toronto, ON M5S 2C6, Canada. EM ktait@rom.on.ca; trouw@lanl.gov RI Lujan Center, LANL/G-4896-2012; Brown, Craig/B-5430-2009 OI Brown, Craig/0000-0002-9637-9355 NR 13 TC 25 Z9 25 U1 0 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 OCT 7 PY 2007 VL 127 IS 13 AR 134505 DI 10.1063/1.2775927 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 217VB UT WOS:000249974300032 PM 17919035 ER PT J AU Lober, R Mazumder, J AF Lober, R. Mazumder, J. TI Spectroscopic diagnostics of plasma during laser processing of aluminium SO JOURNAL OF PHYSICS D-APPLIED PHYSICS LA English DT Article ID WAVES; AIR AB The role of the plasma in laser-metal interaction is of considerable interest due to its influence in the energy transfer mechanism in industrial laser materials processing. A 10 kW CO2 laser was used to study its interaction with aluminium under an argon environment. The objective was to determine the absorption and refraction of the laser beam through the plasma during the processing of aluminium. Laser processing of aluminium is becoming an important topic for many industries, including the automobile industry. The spectroscopic relative line to continuum method was used to determine the electron temperature distribution within the plasma by investigating the 4158 angstrom Ar I line emission and the continuum adjacent to it. The plasmas are induced in 1.0 atm pure Ar environment over a translating A1 target, using f/7 and 10kW CO2 laser. Spectroscopic data indicated that the plasma composition and behaviour were Ar-dominated. Experimental results indicated the plasma core temperature to be 14 000-15 300K over the incident range of laser powers investigated from 5 to 7 kW. It was found that 7.5-29% of the incident laser power was absorbed by the plasma. Cross-section analysis of the melt pools from the A1 samples revealed the absence of any key-hole formation and confirmed that the energy transfer mechanism in the targets was conduction dominated for the reported range of experimental data. C1 Univ Michigan, Ctr Laser Aided Intelligent Mfg, Ann Arbor, MI 48109 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Mazumder, J (reprint author), Univ Michigan, Ctr Laser Aided Intelligent Mfg, Room 2040,G G Brown Lab,2350 Hayward St, Ann Arbor, MI 48109 USA. EM rrlober@sandia.gov; mazumder@umich.edu NR 9 TC 1 Z9 1 U1 0 U2 2 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 OCT 7 PY 2007 VL 40 IS 19 BP 5917 EP 5923 DI 10.1088/0022-3727/40/19/021 PG 7 WC Physics, Applied SC Physics GA 226QQ UT WOS:000250604000022 ER PT J AU Antal, T Blagoev, KB Trugman, SA Redner, S AF Antal, T. Blagoev, K. B. Trugman, S. A. Redner, S. TI Aging and immortality in a cell proliferation model SO JOURNAL OF THEORETICAL BIOLOGY LA English DT Article DE cell division; telomere dynamics; senescence ID REPLICATIVE SENESCENCE; RECOMBINATION; TELOMERASE; RATES; DNA AB We investigate a model of cell division in which the length of telomeres within a cell regulates its proliferative potential. At each division, telomeres undergo a systematic length decrease as well as a superimposed fluctuation due to exchange of telomere DNA between the two daughter cells. A cell becomes senescent when one or more of its telomeres become shorter than a critical length. We map this telomere dynamics onto a biased branching-diffusion process with an absorbing boundary condition whenever any telomere reaches the critical length. Using first-passage ideas, we find a phase transition between finite lifetime and immortality (infinite proliferation) of the cell population as a function of the influence of telomere shortening, fluctuations, and cell division. (C) 2007 Elsevier Ltd. All rights reserved. C1 Boston Univ, Dept Phys, Ctr Polymer Studies, Boston, MA 02215 USA. Harvard Univ, Program Evolutionary Dynam, Cambridge, MA 02138 USA. Los Alamos Natl Lab, Div Theory, Los Alamos, NM 87545 USA. RP Redner, S (reprint author), Boston Univ, Dept Phys, Ctr Polymer Studies, 590 Commonwealth Ave, Boston, MA 02215 USA. EM redner@bu.edu RI Antal, Tibor/A-4512-2008; OI Trugman, Stuart/0000-0002-6688-7228 FU NIGMS NIH HHS [R01 GM078986, R01 GM078986-01, R01GM078986] NR 29 TC 14 Z9 14 U1 0 U2 5 PU ACADEMIC PRESS LTD ELSEVIER SCIENCE LTD PI LONDON PA 24-28 OVAL RD, LONDON NW1 7DX, ENGLAND SN 0022-5193 J9 J THEOR BIOL JI J. Theor. Biol. PD OCT 7 PY 2007 VL 248 IS 3 BP 411 EP 417 DI 10.1016/j.jtbi.2007.06.009 PG 7 WC Biology; Mathematical & Computational Biology SC Life Sciences & Biomedicine - Other Topics; Mathematical & Computational Biology GA 217LA UT WOS:000249948200002 PM 17631317 ER PT J AU Chen, H Ebner, AD Bockenfeld, D Ritter, JA Kaminski, MD Liu, X Rempfer, D Rosengart, AJ AF Chen, Haitao Ebner, Armin D. Bockenfeld, Danny Ritter, James A. Kaminski, Michael D. Liu, Xianqiao Rempfer, Dietmar Rosengart, Axel J. TI A comprehensive in vitro investigation of a portable magnetic separator device for human blood detoxification SO PHYSICS IN MEDICINE AND BIOLOGY LA English DT Article ID IMMUNOMAGNETIC SEPARATOR; BIOLOGICAL-FLUIDS; CELL-SEPARATION; GENE DELIVERY; FLOW; MICROSPHERES; MODEL; VIVO; MAGNETOLIPOSOMES; MAGNETOFECTION AB A portable magnetic separator device is being developed for a proposed magnetically based detoxification system. In this paper, the performance of this device was evaluated via preliminary in vitro flow experiments using simple fluids and a separator unit consisting of one tube and two metal wires, each at the top and bottom of the tube. The effects of the following factors were observed: mean flow velocity U-o ( 0.14 - 45 cm s(-1)), magnetic field strength mu H-o(o) ( 0.125 - 0.50 T), wire size R-w ( 0.125, 0.250 and 0.500 mm), wire length L-w ( 2, 5 and 10 cm), wire materials ( nickel, stainless steel 304 and 430) and tube size ( outer radius R-o = 0.30 mm and inner radius R-i = 0.25 mm; R-o = 0.50 mm and R-i = 0.375 mm; and R-o = 2.0 mm and R-i = 1.0 mm). Our observations showed that the experimental results fit well with the corresponding theoretical results from the model we previously developed at a low flow velocity area ( for example, U-o <= 20 cm s(-1)), strong external magnetic field ( for example, >= 0.30 T) and long wire length ( for example, L-w = 10 cm). The experimental results also showed that more than 90% capture efficiency is indeed achievable under moderate systemic and operational conditions. Pressure drop measurements revealed that the device could work well under human physiological and clinical conditions, and sphere buildup would not have any considerable effect on the pressure drop of the device. The breakthrough experiments demonstrated that a lower flow rate V, higher applied magnetic field mu H-o(o) and diluted sphere suspension, i. e. lower C-o, would delay the breakthrough. All the results indicate the promise of this portable magnetic separator device to efficiently in vivo sequestrate nano-/ micro-spheres from blood flow in the future magnetically based detoxification system. C1 Univ Chicago, Med Ctr, Dept Neurol, Chicago, IL 60637 USA. IIT, Dept Biomed Engn, Chicago, IL 60616 USA. Univ S Carolina, Dept Chem Engn, Columbia, SC 29208 USA. IIT, Dept Mech Mat & Aerosp Engn, Chicago, IL 60616 USA. Argonne Natl Lab, Div Chem Engn, Argonne, IL 60439 USA. Univ Chicago, Med Ctr, Dept Surg NeuroSurg, Chicago, IL 60637 USA. RP Chen, H (reprint author), Univ Chicago, Med Ctr, Dept Neurol, Chicago, IL 60637 USA. EM arosenga@neurology.bsd.uchicago.edu NR 49 TC 11 Z9 11 U1 3 U2 6 PU IOP PUBLISHING LTD PI BRISTOL PA DIRAC HOUSE, TEMPLE BACK, BRISTOL BS1 6BE, ENGLAND SN 0031-9155 J9 PHYS MED BIOL JI Phys. Med. Biol. PD OCT 7 PY 2007 VL 52 IS 19 BP 6053 EP 6072 DI 10.1088/0031-9155/52/19/023 PG 20 WC Engineering, Biomedical; Radiology, Nuclear Medicine & Medical Imaging SC Engineering; Radiology, Nuclear Medicine & Medical Imaging GA 224JL UT WOS:000250443200023 PM 17881819 ER PT J AU Sun, YG Wang, HH AF Sun, Yugang Wang, H. Hau TI High-performance, flexible hydrogen sensors that use carbon nanotubes decorated with palladium nanoparticles SO ADVANCED MATERIALS LA English DT Article ID THIN-FILM TRANSISTORS; FIELD-EFFECT TRANSISTORS; PT/GAAS SCHOTTKY DIODE; GAS SENSOR; MOLECULAR-HYDROGEN; MESOWIRE ARRAYS; GUIDED GROWTH; NANOWIRES; CONTACT; NANOMATERIALS AB Single-walled carbon nanotubes decorated with Pd nanoparticles on thin Sensors poly(ethylene terephthalate) sheets serve as building blocks for the fabrication of mechanically flexible hydrogen sensors (left frame of the figure) with excellent sensing performance. The sensitivities (i.e., the change of resistance) of the as-fabricated sensors are comparable to (or even higher than) the sensors built on rigid substrates and the responses are reversible (right frame of the figure). C1 Ctr Nanoscale Mat, Argonne Natl Lab, Argonne, IL 60439 USA. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Sun, YG (reprint author), Ctr Nanoscale Mat, Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM ygsun@anl.gov RI Schaff, William/B-5839-2009; Sun, Yugang /A-3683-2010 OI Sun, Yugang /0000-0001-6351-6977 NR 71 TC 168 Z9 169 U1 9 U2 98 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0935-9648 EI 1521-4095 J9 ADV MATER JI Adv. Mater. PD OCT 5 PY 2007 VL 19 IS 19 BP 2818 EP + DI 10.1002/adma.200602975 PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 223TC UT WOS:000250394200010 ER PT J AU Yang, HC Kim, SH Yang, L Yang, SY Park, CE AF Yang, Hoichang Kim, Se Hyun Yang, Lin Yang, Sang Yoon Park, Chan Eon TI Pentacene nanostructures on surface-hydrophobicity-controlled Polymer/SiO2 bilayer gate-dielectrics SO ADVANCED MATERIALS LA English DT Article ID FIELD-EFFECT TRANSISTORS; SELF-ASSEMBLED MONOLAYERS; THIN-FILM TRANSISTORS; SINGLE-CRYSTAL; INTERFACE; ELECTRON AB New evidence of a pentacene "bulk phase", which shows a different layer orientation from the "thin-film phase", was discovered. Thin films prepared on surface-hydrophobicity-controlled polymer/SiO2 dielectrics, were studied by using 2D grazing-incidence X-ray diffraction. C1 Rensselaer Polytech Inst, Rensselaer Nanotechnol Ctr, Troy, NY 12180 USA. Pohang Univ Sci & Technol, Dept Chem Engn, Pohang 790784, South Korea. Brookhaven Natl Lab, Upton, NY 11973 USA. RP Yang, HC (reprint author), Rensselaer Polytech Inst, Rensselaer Nanotechnol Ctr, Troy, NY 12180 USA. EM yangh3@rpi.edu; cep@postech.ac.kr RI Yang, Lin/D-5872-2013 OI Yang, Lin/0000-0003-1057-9194 NR 27 TC 78 Z9 78 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 OCT 5 PY 2007 VL 19 IS 19 BP 2868 EP + DI 10.1002/adma.200700560 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 223TC UT WOS:000250394200019 ER PT J AU Scully, SR Armstrong, PB Edder, C Frechet, JMJ McGehee, MD AF Scully, Shawn R. Armstrong, Paul B. Edder, Carine Frechet, Jean M. J. McGehee, Michael D. TI Long-range resonant energy transfer for enhanced exciton harvesting for organic solar cells SO ADVANCED MATERIALS LA English DT Article ID HETEROJUNCTION PHOTOVOLTAIC CELLS; CONJUGATED POLYMERS; ELECTRON-TRANSFER; MONTE-CARLO; PHOTOLUMINESCENCE; DISSOCIATION; EXCITATION; EFFICIENCY; FILMS; HETEROSTRUCTURES AB We present theory and experiment demonstrating a scheme to harvest singlet excitons over 25 nm away from a donor-acceptor interface using resonant energy transfer. Improvement in materials choice could yield effective diffusion lengths as large as 40 nm using long-range transfer, while minimizing the energy loss to less than 0.1 eV making this a promising approach for developing highly efficient organic photovoltaics. C1 Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP McGehee, MD (reprint author), Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. EM mmcgehee@stanford.edu OI Frechet, Jean /0000-0001-6419-0163 NR 48 TC 70 Z9 70 U1 1 U2 33 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA POSTFACH 101161, 69451 WEINHEIM, GERMANY SN 0935-9648 EI 1521-4095 J9 ADV MATER JI Adv. Mater. PD OCT 5 PY 2007 VL 19 IS 19 BP 2961 EP + DI 10.1002/adma.200700917 PG 7 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 223TC UT WOS:000250394200037 ER PT J AU Fardy, M Hochbaum, AI Goldberger, J Zhang, MM Yang, PD AF Fardy, Melissa Hochbaum, Allon I. Goldberger, Joshua Zhang, Minjuan M. Yang, Peidong TI Synthesis and thermoelectrical characterization of lead chalcogenide nanowires SO ADVANCED MATERIALS LA English DT Article ID PBSE NANOWIRES; THERMAL-CONDUCTIVITY; NANOSTRUCTURES; NANOCRYSTALS; DEVICES; ROUTE AB Single-crystalline arrays of PbS, PbSe, and PbTe nanowires (Figure: PbS) with diameters ranging from 40-200 nm and lengths up to 100 pm have been synthesized by a chemical vapor transport approach. Electrical and thermal characterization was performed to investigate their potential as thermoelectric materials. Compared to bulk, the nanowires exhibit reduced thermal conductivity below 100 K by up to 3 orders of magnitude, suggesting that they may be promising thermoelectric materials. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. Toyota Motor Engn & Mfg N Amer Inc, Toyota Tech Ctr, Dept Mat Res, Ann Arbor, MI 48105 USA. RP Yang, PD (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM p_yang@berkeley.edu RI Goldberger, Joshua/F-5484-2011; Goldberger, Joshua/N-8963-2016 OI Goldberger, Joshua/0000-0003-4284-604X; Goldberger, Joshua/0000-0003-4284-604X NR 24 TC 110 Z9 113 U1 5 U2 76 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 OCT 5 PY 2007 VL 19 IS 19 BP 3047 EP + DI 10.1002/adma.200602674 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 223TC UT WOS:000250394200054 ER PT J AU Krumpe, LR Schumacher, KM McMahon, JB Makowski, L Mori, T AF Krumpe, Lauren Rh Schumacher, Kathryn M. McMahon, James B. Makowski, Lee Mori, Toshiyuki TI Trinucleotide cassettes increase diversity of T7 phage-displayed peptide library SO BMC BIOTECHNOLOGY LA English DT Article ID SEQUENCE; PROTEIN; PHOSPHORAMIDITES AB Background: Amino acid sequence diversity is introduced into a phage-displayed peptide library by randomizing library oligonucleotide DNA. We recently evaluated the diversity of peptide libraries displayed on T7 lytic phage and M13 filamentous phage and showed that T7 phage can display a more diverse amino acid sequence repertoire due to differing processes of viral morphogenesis. Methods: In this study, we evaluated and compared the diversity of a 12-mer T7 phage-displayed peptide library randomized using codon-corrected trinucleotide cassettes with a T7 and an M13 12-mer phage-displayed peptide library constructed using the degenerate codon randomization method. Conclusion: The combination of T7 phage display and trinucleotide cassette randomization resulted in a novel resource for the potential isolation of binding peptides for new and previously studied molecular targets. C1 [Krumpe, Lauren Rh; Schumacher, Kathryn M.; McMahon, James B.; Mori, Toshiyuki] NCI, Canc Res Ctr, Mol Targets Dev Program, Frederick, MD 21702 USA. [Krumpe, Lauren Rh] NCI, SAIC Frederick Inc, Frederick, MD 21702 USA. [Schumacher, Kathryn M.] NCI, Werner H Kirsten Student Internship Program, Frederick, MD 21702 USA. [Makowski, Lee] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. RP Mori, T (reprint author), NCI, Canc Res Ctr, Mol Targets Dev Program, Frederick, MD 21702 USA. EM lhaugh@ncifcrf.gov; kschu@mit.edu; mcmahon@ncifcrf.gov; imakowski@anl.gov; Mori_Toshiyuki2@takeda.co.jp FU NCI NIH HHS [N01CO12400, N01-CO-12400] NR 17 TC 17 Z9 17 U1 0 U2 7 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1472-6750 J9 BMC BIOTECHNOL JI BMC Biotechnol. PD OCT 5 PY 2007 VL 7 AR 65 DI 10.1186/1472-6750-7-65 PG 8 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 252LR UT WOS:000252448500001 PM 17919322 ER PT J AU Hanley, T Sutton, D Karatchevtseva, I Cookson, D Burford, R Knott, R AF Hanley, Tracey Sutton, David Karatchevtseva, Inna Cookson, David Burford, Robert Knott, Robert TI Effects of selected process parameters on the morphology of poly(ethylene terephthalate) preforms and bottles SO JOURNAL OF APPLIED POLYMER SCIENCE LA English DT Article DE orientation; polyesters; SAXS ID X-RAY-SCATTERING; TRANSMISSION ELECTRON-MICROSCOPY; CRYSTALLIZED POLY(ETHYLENE-TEREPHTHALATE); SECONDARY CRYSTALLIZATION; MECHANICAL STRENGTH; LAMELLAR THICKNESS; PET BOTTLES; POLYPROPYLENE; ORIENTATION; EVOLUTION AB Small-angle X-ray scattering (SAXS) studies and polarized optical microscopy were undertaken to explore possible morphological explanations for the poor mechanical strength in the petaloid bases of poly(ethylene terephthalate) bottles. With a standard commercial production line, one set of injection-molded preforms was over-packed by 1.1 wt % to investigate the effect on the molecular morphology with respect to a set of control samples. Both sets of preforms showed highly crystalline and oriented areas corresponding to the injection gate region. The main body of the control preform was amorphous, and although the overpacked preform was essentially amorphous, there was some evidence for weak crystallinity. The SAXS patterns of the bottle petaloid base blown from the corresponding preforms produced similar SAXS patterns for overpacked and control bottle bases, indicating that the commercial process is robust at least to this degree of overpacking. Optical microscopy showed detailed crystalline features around the gate region and thin crystalline layers sandwiched between a quenched skin layer in direct contact with the cold mold walls and the main flow of material into the mold. (c) 2007 Wiley Periodicals, Inc. C1 Australian Nucl Sci & Technol Org, Menai, NSW 2234, Australia. Cooperat Res Ctr Polymers, Notting Hill, Vic 3168, Australia. ChemMatCARS, Adv Photon Source, Argonne, IL 60439 USA. Univ New S Wales, Sch Chem Sci & Engn, Sydney, NSW 2052, Australia. RP Hanley, T (reprint author), Australian Nucl Sci & Technol Org, Private Mail Bag 1, Menai, NSW 2234, Australia. EM tracey.hanley@ansto.gov.au RI Hanley, Tracey/B-4556-2010 NR 30 TC 0 Z9 0 U1 1 U2 8 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0021-8995 J9 J APPL POLYM SCI JI J. Appl. Polym. Sci. PD OCT 5 PY 2007 VL 106 IS 1 BP 238 EP 247 DI 10.1002/app.26472 PG 10 WC Polymer Science SC Polymer Science GA 198EN UT WOS:000248609900031 ER PT J AU Wilson, TS Bearinger, JP Herberg, JL Marion, JE Wright, WJ Evans, CL Maitland, DJ AF Wilson, T. S. Bearinger, J. P. Herberg, J. L. Marion, J. E., III Wright, W. J. Evans, C. L. Maitland, D. J. TI Shape memory polymers based on uniform aliphatic urethane networks SO JOURNAL OF APPLIED POLYMER SCIENCE LA English DT Article DE amorphous; glass-transition; networks; polyurethanes; stimuli-responsive polymer ID POLYETHER-BASED POLYURETHANES; BEHAVIOR; COPOLYMERS; RECOVERY; NMR AB Aliphatic urethane polymers have been synthesized and characterized, using monomers with high molecular symmetry, to form amorphous networks with very uniform supermolecular structures, which can be used as photo-thermally actuable shape memory polymers (SMPs). The monomers used include hexamethylene diisocyanate (HDI), trimethylhexamethylenediamine (TMHDI), N,N,N',N'-tetrakis(hydroxypropyl)ethylenediamine (HPED), triethanolamine (TEA), and 1,3-butanediol (BD). The new polymers were characterized by solvent extraction, NMR, XPS, UV/VIS, DSC, DMTA, and tensile testing. The resulting polymers were found to be single phase amorphous networks with very high gel fraction, excellent optical clarity, and extremely sharp single glass transitions in the range of 34-153 degrees C. Thermomechanical testing of these materials confirms their excellent shape memory behavior, high recovery force, and low mechanical hysteresis (especially on multiple cycles), effectively behaving as ideal elastomers above T-g We believe these materials represent a new and potentially important class of SMPs, and should be especially useful in applications such as biomedical microdevices. (C) 2007 Wiley Periodicals, Inc. C1 Lawrence Livermore Natl Lab, Med Phys & Biophys Div, Livermore, CA 94551 USA. LLNL, CMLS, Livermore, CA 94551 USA. Santa Clara Univ, Dept Mech Engn, Santa Clara, CA 95053 USA. RP Wilson, TS (reprint author), Lawrence Livermore Natl Lab, Med Phys & Biophys Div, Livermore, CA 94551 USA. EM wilson97@llnl.gov OI Wright, Wendelin/0000-0001-6493-6025 NR 40 TC 48 Z9 49 U1 10 U2 32 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0021-8995 EI 1097-4628 J9 J APPL POLYM SCI JI J. Appl. Polym. Sci. PD OCT 5 PY 2007 VL 106 IS 1 BP 540 EP 551 DI 10.1002/app.26593 PG 12 WC Polymer Science SC Polymer Science GA 198EN UT WOS:000248609900070 ER PT J AU Winske, D Gary, SP AF Winske, Dan Gary, S. Peter TI Hybrid simulations of debris-ambient ion interactions in astrophysical explosions SO JOURNAL OF GEOPHYSICAL RESEARCH-SPACE PHYSICS LA English DT Article ID COLLISIONLESS SHOCKS; MAGNETIC-FIELD; LAMINAR INTERACTIONS; PLASMA EXPANSION; MAGNETOPAUSE; LASERS; MODEL AB [1] Hybrid simulations (particle ions, massless fluid electrons) have been carried out to study the super-Alfvenic expansion of a dense, hot debris plasma against a relatively tenuous, relatively cool magnetized ambient plasma for the purpose of modeling the physics relevant to the early phase of explosions in astrophysical environments (supernovae, solar flares). We examine the stopping of the debris ions, the spatial distribution of the stopped ions, and their penetration across the compressed ambient magnetic field, using simulations run in a two-dimensional geometry. The simulations show that the expanding debris excludes the ambient magnetic field to form a diamagnetic cavity. The stopping distance of the debris is consistent with that determined from the debris ions overrunning an equivalent mass of ambient ions. The distribution of the stopped debris ions is strongly dependent on the debris gyroradius based on the initial directed velocity rho(d), being highly peaked at the debris-magnetic field interface when rho(d) is large. The distance that debris ions penetrate into and mix with the excluded magnetic field is measured and shown to increase linearly with rho(d). C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Winske, D (reprint author), Los Alamos Natl Lab, Mail Stop D466,Grp ISR-1, Los Alamos, NM 87545 USA. EM pgary@lanl.gov NR 37 TC 23 Z9 23 U1 3 U2 6 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 OCT 5 PY 2007 VL 112 IS A10 AR A10303 DI 10.1029/2007JA012276 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 218WV UT WOS:000250047600006 ER PT J AU Abazov, VM Abbott, B Abolins, M Acharya, BS Adams, M Adams, T Aguilo, E Ahn, SH Ahsan, M Alexeev, GD Alkhazov, G Alton, A Alverson, G Alves, GA Anastasoaie, M Ancu, LS Andeen, T Anderson, S Andrieu, B Anzelc, MS Arnoud, Y Arov, M Arthaud, M Askew, A Asman, B Jesus, ACSA Atramentov, O Autermann, C Avila, C Ay, C Badaud, F Baden, A Bagby, L Baldin, B Bandurin, DV Banerjee, P Banerjee, S Barberis, E Barfuss, AF Bargassa, P Baringer, P Barreto, J Bartlett, JF Bassler, U Bauer, D Beale, S Bean, A Begalli, M Begel, M Belanger-Champagne, C Bellantoni, L Bellavance, A Benitez, JA Beri, SB Bernardi, G Bernhard, R Berntzon, L Bertram, I Besanc, M Beuselinck, R Bezzubov, VA Bhat, PC Bhatnagar, V Biscarat, C Blazey, G Blekman, F Blessing, S Bloch, D Bloom, K Boehnlein, A Boline, D Bolton, TA Borissov, G Bos, K Bose, T Brandt, A Brock, R Brooijmans, G Bross, A Brown, D Buchanan, NJ Buchholz, D Buehler, M Buescher, V Burdin, S Burke, S Burnett, TH Buszello, CP Butler, JM Calfayan, P Calvet, S Cammin, J Caron, S Carvalho, W Casey, BCK Cason, NM Castilla-Valdez, H Chakrabarti, S Chakraborty, D Chan, K Chan, KM Chandra, A Charles, F Cheu, E Chevallier, F Cho, DK Choi, S Choudhary, B Christofek, L Christoudias, T Cihangir, S Claes, D Clement, B Clement, C Coadou, Y Cooke, M Cooper, WE Corcoran, M Couderc, F Cousinou, MC Crepe-Renaudin, S Cutts, D Cwiok, M da Motta, H Das, A Davies, G De, K de Jong, P de Jong, SJ De La Cruz-Burelo, E Martins, CDO Degenhardt, JD Deliot, F Demarteau, M Demina, R Denisov, D Denisov, SP Desai, S Diehl, HT Diesburg, M Dominguez, A Dong, H Dudko, LV Duflot, L Dugad, SR Duggan, D Duperrin, A Dyer, J Dyshkant, A Eads, M Edmunds, D Ellison, J Elvira, VD Enari, Y Eno, S Ermolov, P Evans, H Evdokimov, A Evdokimov, VN Ferapontov, AV Ferbel, T Fiedler, F Filthaut, F Fisher, W Fisk, HE Ford, M Fortner, M Fox, H Fu, S Fuess, S Gadfort, T Galea, CF Gallas, E Galyaev, E Garcia, C Garcia-Bellido, A Gavrilov, V Gay, P Geist, W Gele, D Gerber, CE Gershtein, Y Gillberg, D Ginther, G Gollub, N Gomez, B Goussiou, A Grannis, PD Greenlee, H Greenwood, ZD Gregores, EM Grenier, G Gris, P Grivaz, JF Grohsjean, A Grunendahl, S Grunewald, MW Guo, F Guo, J Gutierrez, G Gutierrez, P Haas, A Hadley, NJ Haefner, P Hagopian, S Haley, J Hall, I Hall, RE Han, L Hanagaki, K Hansson, P Harder, K Harel, A Harrington, R Hauptman, JM Hauser, R Hays, J Hebbeker, T Hedin, D Hegeman, JG Heinmiller, JM Heinson, AP Heintz, U Hensel, C Herner, K Hesketh, G Hildreth, MD Hirosky, R Hobbs, JD Hoeneisen, B Hoeth, H Hohlfeld, M Hong, SJ Hooper, R Hossain, S Houben, P Hu, Y Hubacek, Z Hynek, V Iashvili, I Illingworth, R Ito, AS Jabeen, S Jaffre, M Jain, S Jakobs, K Jarvis, C Jesik, R Johns, K Johnson, C Johnson, M Jonckheere, A Jonsson, P Juste, A Kafer, D Kahn, S Kajfasz, E Kalinin, AM Kalk, JM Kalk, JR Kappler, S Karmanov, D Kasper, J Kasper, P Katsanos, I Kau, D Kaur, R Kaushik, V Kehoe, R Kermiche, S Khalatyan, N Khanov, A Kharchilava, A Kharzheev, YM Khatidze, D Kim, H Kim, TJ Kirby, MH Kirsch, M Klima, B Kohli, JM Konrath, JP Kopal, M Korablev, VM Kothari, B Kozelov, AV Krop, D Kryemadhi, A Kuhl, T Kumar, A Kunori, S Kupco, A Kurca, T Kvita, J Lam, D Lammers, S Landsberg, G Lazoflores, J Lebrun, P Lee, WM Leflat, A Lehner, F Lellouch, J Lesne, V Leveque, J Lewis, P Li, J Li, L Li, QZ Lietti, SM Lima, JGR Lincoln, D Linnemann, J Lipaev, VV Lipton, R Liu, Y Liu, Z Lobo, L Lobodenko, A Lokajicek, M Lounis, A Love, P Lubatti, HJ Lyon, AL Maciel, AKA Mackin, D Madaras, RJ Mattig, P Magass, C Magerkurth, A Makovec, N Mal, PK Malbouisson, HB Malik, S Malyshev, VL Mao, HS Maravin, Y Martin, B McCarthy, R Melnitchouk, A Mendes, A Mendoza, L Mercadante, PG Merkin, M Merritt, KW Meyer, A Meyer, J Michaut, M Millet, T Mitrevski, J Molina, J Mommsen, RK Mondal, NK Moore, RW Moulik, T Muanza, GS Mulders, M Mulhearn, M Mundal, O Mundim, L Nagy, E Naimuddin, M Narain, M Naumann, NA Neal, HA Negret, JP Neustroev, P Nilsen, H Noeding, C Nomerotski, A Novaes, SF Nunnemann, T O'Dell, V O'Neil, DC Obrant, G Ochando, C Onoprienko, D Oshima, N Osta, J Otec, R Garzon, GJOY Owen, M Padley, P Pangilinan, M Panikashvili, N Parashar, N Park, SJ Park, SK Parsons, J Partridge, R Parua, N Patwa, A Pawloski, G Perea, PM Peters, K Peters, Y Petroff, P Petteni, M Piegaia, R Piper, J Pleier, MA Podesta-Lerma, PLM Podstavkov, VM Pogorelov, Y Pol, ME Pompos, A Pope, BG Popov, AV Potter, C da Silva, WLP Prosper, HB Protopopescu, S Qian, J Quadt, A Quinn, B Rakitine, A Rangel, MS Rani, KJ Ranjan, K Ratoff, PN Renkel, P Reucroft, S Rich, P Rijssenbeek, M Ripp-Baudot, I Rizatdinova, F Robinson, S Rodrigues, RF Royon, C Rubinov, P Ruchti, R Safronov, G Sajot, G Sanchez-Hernandez, A Sanders, MP Santoro, A Savage, G Sawyer, L Scanlon, T Schaile, D Schamberger, RD Scheglov, Y Schellman, H Schieferdecker, P Schliephake, T Schmitt, C Schwanenberger, C Schwartzman, A Schwienhorst, R Sekaric, J Sengupta, S Severini, H Shabalina, E Shamim, M Shary, V Shchukin, AA Shivpuri, RK Shpakov, D Siccardi, V Simak, V Sirotenko, V Skubic, P Slattery, P Smirnov, D Smith, RP Snow, GR Snow, J Snyder, S Soldner-Rembold, S Sonnenschein, L Sopczak, A Sosebee, M Soustruznik, K Souza, M Spurlock, B Stark, J Steele, J Stolin, V Stone, A Stoyanova, DA Strandberg, J Strandberg, S Strang, MA Strauss, M Strohmer, R Strom, D Strovink, M Stutte, L Sumowidagdo, S Svoisky, P Sznajder, A Talby, M Tamburello, P Tanasijczuk, A Taylor, W Telford, P Temple, J Tiller, B Tissandier, F Titov, M Tokmenin, VV Tomoto, M Toole, T Torchiani, I Trefzger, T Tsybychev, D Tuchming, B Tully, C Tuts, PM Unalan, R Uvarov, L Uvarov, S Uzunyan, S Vachon, B van den Berg, PJ van Eijk, B Van Kooten, R van Leeuwen, WM Varelas, N Varnes, EW Vartapetian, A Vasilyev, IA Vaupel, M Verdier, P Vertogradov, LS Verzocchi, M Villeneuve-Seguier, F Vint, P Von Toerne, E Voutilainen, M Vreeswijk, M Wagner, R Wahl, HD Wang, L Wang, MHLS Warchol, J Watts, G Wayne, M Weber, G Weber, M Weerts, H Wenger, A Wermes, N Wetstein, M White, A Wicke, D Wilson, GW Wimpenny, SJ Wobisch, M Wood, DR Wyatt, TR Xie, Y Yacoob, S Yamada, R Yan, M Yasuda, T Yatsunenko, YA Yip, K Yoo, HD Youn, SW Yu, C Yu, J Yurkewicz, A Zatserklyaniy, A Zeitnitz, C Zhang, D Zhao, T Zhou, B Zhu, J Zielinski, M Zieminska, D Zieminski, A Zivkovic, L Zutshi, V Zverev, EG AF Abazov, V. M. Abbott, B. Abolins, M. Acharya, B. S. Adams, M. Adams, T. Aguilo, E. Ahn, S. H. Ahsan, M. Alexeev, G. D. Alkhazov, G. Alton, A. Alverson, G. Alves, G. A. Anastasoaie, M. Ancu, L. S. Andeen, T. Anderson, S. Andrieu, B. Anzelc, M. S. Arnoud, Y. Arov, M. Arthaud, M. Askew, A. Asman, B. Assis Jesus, A. C. S. Atramentov, O. Autermann, C. Avila, C. Ay, C. Badaud, F. Baden, A. Bagby, L. Baldin, B. Bandurin, D. V. Banerjee, P. Banerjee, S. Barberis, E. Barfuss, A.-F. Bargassa, P. Baringer, P. Barreto, J. Bartlett, J. F. Bassler, U. Bauer, D. Beale, S. Bean, A. Begalli, M. Begel, M. Belanger-Champagne, C. Bellantoni, L. Bellavance, A. Benitez, J. A. Beri, S. B. Bernardi, G. Bernhard, R. Berntzon, L. Bertram, I. Besanc, M. Beuselinck, R. Bezzubov, V. A. Bhat, P. C. Bhatnagar, V. Biscarat, C. Blazey, G. Blekman, F. Blessing, S. Bloch, D. Bloom, K. Boehnlein, A. Boline, D. Bolton, T. A. Borissov, G. Bos, K. Bose, T. Brandt, A. Brock, R. Brooijmans, G. Bross, A. Brown, D. Buchanan, N. J. Buchholz, D. Buehler, M. Buescher, V. Burdin, S. Burke, S. Burnett, T. H. Buszello, C. P. Butler, J. M. Calfayan, P. Calvet, S. Cammin, J. Caron, S. Carvalho, W. Casey, B. C. K. Cason, N. M. Castilla-Valdez, H. Chakrabarti, S. Chakraborty, D. Chan, K. Chan, K. M. Chandra, A. Charles, F. Cheu, E. Chevallier, F. Cho, D. K. Choi, S. Choudhary, B. Christofek, L. Christoudias, T. Cihangir, S. Claes, D. Clement, B. Clement, C. Coadou, Y. Cooke, M. Cooper, W. E. Corcoran, M. Couderc, F. Cousinou, M.-C. Crepe-Renaudin, S. Cutts, D. Cwiok, M. da Motta, H. Das, A. Davies, G. De, K. de Jong, P. de Jong, S. J. De La Cruz-Burelo, E. Martins, C. De Oliveira Degenhardt, J. D. Deliot, F. Demarteau, M. Demina, R. Denisov, D. Denisov, S. P. Desai, S. Diehl, H. T. Diesburg, M. Dominguez, A. Dong, H. Dudko, L. V. Duflot, L. Dugad, S. R. Duggan, D. Duperrin, A. Dyer, J. Dyshkant, A. Eads, M. Edmunds, D. Ellison, J. Elvira, V. D. Enari, Y. Eno, S. Ermolov, P. Evans, H. Evdokimov, A. Evdokimov, V. N. Ferapontov, A. V. Ferbel, T. Fiedler, F. Filthaut, F. Fisher, W. Fisk, H. E. Ford, M. Fortner, M. Fox, H. Fu, S. Fuess, S. Gadfort, T. Galea, C. F. Gallas, E. Galyaev, E. Garcia, C. Garcia-Bellido, A. Gavrilov, V. Gay, P. Geist, W. Gele, D. Gerber, C. E. Gershtein, Y. Gillberg, D. Ginther, G. Gollub, N. Gomez, B. Goussiou, A. Grannis, P. D. Greenlee, H. Greenwood, Z. D. Gregores, E. M. Grenier, G. Gris, Ph. Grivaz, J.-F. Grohsjean, A. Gruenendahl, S. Gruenewald, M. W. Guo, F. Guo, J. Gutierrez, G. Gutierrez, P. Haas, A. Hadley, N. J. Haefner, P. Hagopian, S. Haley, J. Hall, I. Hall, R. E. Han, L. Hanagaki, K. Hansson, P. Harder, K. Harel, A. Harrington, R. Hauptman, J. M. Hauser, R. Hays, J. Hebbeker, T. Hedin, D. Hegeman, J. G. Heinmiller, J. M. Heinson, A. P. Heintz, U. Hensel, C. Herner, K. Hesketh, G. Hildreth, M. D. Hirosky, R. Hobbs, J. D. Hoeneisen, B. Hoeth, H. Hohlfeld, M. Hong, S. J. Hooper, R. Hossain, S. Houben, P. Hu, Y. Hubacek, Z. Hynek, V. Iashvili, I. Illingworth, R. Ito, A. S. Jabeen, S. Jaffre, M. Jain, S. Jakobs, K. Jarvis, C. Jesik, R. Johns, K. Johnson, C. Johnson, M. Jonckheere, A. Jonsson, P. Juste, A. Kaefer, D. Kahn, S. Kajfasz, E. Kalinin, A. M. Kalk, J. M. Kalk, J. R. Kappler, S. Karmanov, D. Kasper, J. Kasper, P. Katsanos, I. Kau, D. Kaur, R. Kaushik, V. Kehoe, R. Kermiche, S. Khalatyan, N. Khanov, A. Kharchilava, A. Kharzheev, Y. M. Khatidze, D. Kim, H. Kim, T. J. Kirby, M. H. Kirsch, M. Klima, B. Kohli, J. M. Konrath, J.-P. Kopal, M. Korablev, V. M. Kothari, B. Kozelov, A. V. Krop, D. Kryemadhi, A. Kuhl, T. Kumar, A. Kunori, S. Kupco, A. Kurca, T. Kvita, J. Lam, D. Lammers, S. Landsberg, G. Lazoflores, J. Lebrun, P. Lee, W. M. Leflat, A. Lehner, F. Lellouch, J. Lesne, V. Leveque, J. Lewis, P. Li, J. Li, L. Li, Q. Z. Lietti, S. M. Lima, J. G. R. Lincoln, D. Linnemann, J. Lipaev, V. V. Lipton, R. Liu, Y. Liu, Z. Lobo, L. Lobodenko, A. Lokajicek, M. Lounis, A. Love, P. Lubatti, H. J. Lyon, A. L. Maciel, A. K. A. Mackin, D. Madaras, R. 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Strandberg, J. Strandberg, S. Strang, M. A. Strauss, M. Stroehmer, R. Strom, D. Strovink, M. Stutte, L. Sumowidagdo, S. Svoisky, P. Sznajder, A. Talby, M. Tamburello, P. Tanasijczuk, A. Taylor, W. Telford, P. Temple, J. Tiller, B. Tissandier, F. Titov, M. Tokmenin, V. V. Tomoto, M. Toole, T. Torchiani, I. Trefzger, T. Tsybychev, D. Tuchming, B. Tully, C. Tuts, P. M. Unalan, R. Uvarov, L. Uvarov, S. Uzunyan, S. Vachon, B. van den Berg, P. J. van Eijk, B. Van Kooten, R. van Leeuwen, W. M. Varelas, N. Varnes, E. W. Vartapetian, A. Vasilyev, I. A. Vaupel, M. Verdier, P. Vertogradov, L. S. Verzocchi, M. Villeneuve-Seguier, F. Vint, P. Von Toerne, E. Voutilainen, M. Vreeswijk, M. Wagner, R. Wahl, H. D. Wang, L. Wang, M. H. L. S. Warchol, J. Watts, G. Wayne, M. Weber, G. Weber, M. Weerts, H. Wenger, A. Wermes, N. Wetstein, M. White, A. Wicke, D. Wilson, G. W. Wimpenny, S. J. Wobisch, M. Wood, D. R. Wyatt, T. R. Xie, Y. Yacoob, S. Yamada, R. Yan, M. Yasuda, T. Yatsunenko, Y. A. Yip, K. Yoo, H. D. Youn, S. W. Yu, C. Yu, J. Yurkewicz, A. Zatserklyaniy, A. Zeitnitz, C. Zhang, D. Zhao, T. Zhou, B. Zhu, J. Zielinski, M. Zieminska, D. Zieminski, A. Zivkovic, L. Zutshi, V. Zverev, E. G. CA D0 Collaboration TI Measurement of the Lambda(b) lifetime in the exclusive decay Lambda(b)-> J/psi Lambda SO PHYSICAL REVIEW LETTERS LA English DT Article ID INCLUSIVE DECAYS; BEAUTY HADRONS; PHYSICS; QCD AB We have measured the Lambda(b) lifetime using the exclusive decay Lambda(b)-> J/psi Lambda, based on 1.2 fb(-1) of data collected with the D0 detector during 2002-2006. From 171 reconstructed Lambda(b) decays, where the J/psi and Lambda are identified via the decays J/psi ->mu(+)mu(-) and Lambda -> p pi, we measured the Lambda(b) lifetime to be tau(Lambda(b))=1.218(-0.115)(+0.130)(stat)+/- 0.042(syst) ps. We also measured the B-0 lifetime in the decay B-0 -> J/psi(mu(+)mu(-))K-S(0)(pi(+)pi(-)) to be tau(B-0)=1.501(-0.074)(+0.078)(stat)+/- 0.050(syst) ps, yielding a lifetime ratio of tau(Lambda(b))/tau(B-0)=0.811(-0.087)(+0.096)(stat)+/- 0.034(syst). C1 Univ Buenos Aires, Buenos Aires, DF, Argentina. Ctr Brasileiro Pesquisas Fis, LAFEX, Rio De Janeiro, Brazil. Univ Estado Rio de Janerio, Rio De Janeiro, Brazil. Univ Estadual Paulista, Inst Fis Teor, BR-01405 Sao Paulo, Brazil. Univ Alberta, Edmonton, AB, Canada. Simon Fraser Univ, Burnaby, BC V5A 1S6, Canada. York Univ, Toronto, ON M3J 2R7, Canada. McGill Univ, Montreal, PQ, Canada. Univ Sci & Technol China, Hefei 230026, Peoples R China. Univ Los Andes, Bogota, Colombia. Charles Univ Prague, Ctr Particle Phys, Prague, Czech Republic. Czech Tech Univ, CR-16635 Prague, Czech Republic. Acad Sci Czech Republic, Inst Phys, Ctr Particle Phys, Prague, Czech Republic. Univ San Francisco Quito, Quito, Ecuador. Univ Clermont Ferrand, CNRS, IN2P3, Phys Corpusculaire Lab, Clermont Ferrand, France. Univ Grenoble 1, CNRS, IN2P3, Lab Phys Subatom & Cosmol, Grenoble, France. Univ Aix Marseille 2, CNRS, IN2P3, CPPM, Marseille, France. Univ Paris 11, Lab Accelerateur Lineaire, Orsay, France. CNRS, Lab Accelerateur Lineaire, IN2P3, Orsay, France. Univ Paris 06, CNRS, IN2P3, LPNHE, Paris, France. Univ Paris 07, CNRS, IN2P3, LPNHE, Paris, France. Univ Haute Alsace, CNRS, IN2P3, Strasbourg, France. Univ Strasbourg 1, IPHC, Strasbourg, France. Univ Lyon, Lyon, France. Univ Lyon 1, CNRS, IN2P3, IPNL, F-69622 Villeurbanne, France. Rhein Westfal TH Aachen, Inst Phys 3, D-5100 Aachen, Germany. Univ Bonn, Inst Phys, D-5300 Bonn, Germany. Univ Freiburg, Inst Phys, Freiburg, Germany. Johannes Gutenberg Univ Mainz, Inst Phys, D-6500 Mainz, Germany. Univ Munich, Munich, Germany. Univ Wuppertal, Fachbereich Phys, Wuppertal, Germany. Panjab Univ, Chandigarh 160014, India. Univ Delhi, Delhi 110007, India. Tata Inst Fundamental Res, Bombay 400005, Maharashtra, India. Univ Coll Dublin, Dublin 2, Ireland. Korea Univ, Korea Detector Lab, Seoul 136701, South Korea. Sungkyunkwan Univ, Suwon, South Korea. CINVESTAV, Mexico City 14000, DF, Mexico. Univ Amsterdam, NIKHEF H, Amsterdam, Netherlands. Inst NIKHEF, FOM, NL-1009 DB Amsterdam, Netherlands. Univ Nijmegen St Radboud Hosp, NIKHEF H, NL-6500 HB Nijmegen, Netherlands. Joint Inst Nucl Res, Dubna, Russia. Inst Theoret & Expt Phys, Moscow 117259, Russia. Moscow MV Lomonosov State Univ, Moscow, Russia. Inst High Energy Phys, Protvino, Russia. Petersburg Nucl Phys Inst, St Petersburg, Russia. Stockholm Univ, S-10691 Stockholm, Sweden. Royal Inst Technol, Stockholm, Sweden. Lund Univ, Lund, Sweden. Uppsala Univ, Uppsala, Sweden. Univ Zurich, Inst Phys, Zurich, Switzerland. Univ Lancaster, Lancaster, England. Univ London Imperial Coll Sci Technol & Med, London, England. Univ Manchester, Manchester, Lancs, England. Univ Arizona, Tucson, AZ 85721 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Calif State Univ Fresno, Fresno, CA 93740 USA. Univ Calif Riverside, Riverside, CA 92521 USA. Florida State Univ, Tallahassee, FL 32306 USA. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Univ Illinois, Chicago, IL 60607 USA. No Illinois Univ, De Kalb, IL 60115 USA. Northwestern Univ, Evanston, IL 60208 USA. Indiana Univ, Bloomington, IN 47405 USA. Univ Notre Dame, Notre Dame, IN 46556 USA. Purdue Univ Calumet, Hammond, IN 46323 USA. Iowa State Univ, Ames, IA 50011 USA. Univ Kansas, Lawrence, KS 66045 USA. Kansas State Univ, Manhattan, KS 66506 USA. Louisiana Tech Univ, Ruston, LA 71272 USA. Univ Maryland, College Pk, MD 20742 USA. Boston Univ, Boston, MA 02215 USA. Northeastern Univ, Boston, MA 02115 USA. Univ Michigan, Ann Arbor, MI 48109 USA. Michigan State Univ, E Lansing, MI 48824 USA. Univ Mississippi, University, MS 38677 USA. Univ Nebraska, Lincoln, NE 68588 USA. Princeton Univ, Princeton, NJ 08544 USA. SUNY Buffalo, Buffalo, NY 14260 USA. Columbia Univ, New York, NY 10027 USA. Univ Rochester, Rochester, NY 14627 USA. SUNY Stony Brook, Stony Brook, NY 11794 USA. Brookhaven Natl Lab, Upton, NY 11973 USA. Langston Univ, Langston, OK 73050 USA. Univ Oklahoma, Norman, OK 73019 USA. Oklahoma State Univ, Stillwater, OK 74078 USA. Brown Univ, Providence, RI 02912 USA. Univ Texas, Arlington, TX 76019 USA. So Methodist Univ, Dallas, TX 75275 USA. Rice Univ, Houston, TX 77005 USA. Univ Virginia, Charlottesville, VA 22901 USA. Univ Washington, Seattle, WA 98195 USA. RP Abazov, VM (reprint author), Univ Buenos Aires, Buenos Aires, DF, Argentina. RI Ancu, Lucian Stefan/F-1812-2010; Alves, Gilvan/C-4007-2013; Santoro, Alberto/E-7932-2014; Deliot, Frederic/F-3321-2014; Sharyy, Viatcheslav/F-9057-2014; Christoudias, Theodoros/E-7305-2015; KIM, Tae Jeong/P-7848-2015; Guo, Jun/O-5202-2015; Sznajder, Andre/L-1621-2016; Li, Liang/O-1107-2015; Yip, Kin/D-6860-2013; De, Kaushik/N-1953-2013; Fisher, Wade/N-4491-2013; Mundim, Luiz/A-1291-2012; Nomerotski, Andrei/A-5169-2010; Novaes, Sergio/D-3532-2012; Merkin, Mikhail/D-6809-2012; Leflat, Alexander/D-7284-2012; Dudko, Lev/D-7127-2012; Shivpuri, R K/A-5848-2010; Telford, Paul/B-6253-2011; Gutierrez, Phillip/C-1161-2011; Mercadante, Pedro/K-1918-2012 OI Ancu, Lucian Stefan/0000-0001-5068-6723; Sharyy, Viatcheslav/0000-0002-7161-2616; Christoudias, Theodoros/0000-0001-9050-3880; KIM, Tae Jeong/0000-0001-8336-2434; Guo, Jun/0000-0001-8125-9433; Sznajder, Andre/0000-0001-6998-1108; Li, Liang/0000-0001-6411-6107; Yip, Kin/0000-0002-8576-4311; De, Kaushik/0000-0002-5647-4489; Mundim, Luiz/0000-0001-9964-7805; Novaes, Sergio/0000-0003-0471-8549; Dudko, Lev/0000-0002-4462-3192; NR 13 TC 27 Z9 27 U1 0 U2 5 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. 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Dunlop, J. C. Mazumdar, M. R. Dutta Edwards, W. R. Efimov, L. G. Emelianov, V. Engelage, J. Eppley, G. Erazmus, B. Estienne, M. Fachini, P. Fatemi, R. Fedorisin, J. Feng, A. Filip, P. Finch, E. Fine, V. Fisyak, Y. Fu, J. Gagliardi, C. A. Gaillard, L. Ganti, M. S. Garcia-Solis, E. Ghazikhanian, V. Ghosh, P. Gorbunov, Y. N. Gos, H. Grebenyuk, O. Grosnick, D. Grube, B. Guertin, S. M. Guimaraes, K. S. F. F. Gupta, A. Gupta, N. Haag, B. Hallman, T. J. Hamed, A. Harris, J. W. He, W. Heinz, M. Henry, T. W. Heppelmann, S. Hippolyte, B. Hirsch, A. Hjort, E. Hoffman, A. M. Hoffmann, G. W. Hofman, D. J. Hollis, R. S. Horner, M. J. Huang, H. Z. Hughes, E. W. Humanic, T. J. Igo, G. Iordanova, A. Jacobs, P. Jacobs, W. W. Jakl, P. Jones, P. G. Judd, E. G. Kabana, S. Kang, K. Kapitan, J. Kaplan, M. Keane, D. Kechechyan, A. Kettler, D. Khodyrev, V. Yu. Kiryluk, J. Kisiel, A. Kislov, E. M. Klein, S. R. Knospe, A. G. Kocoloski, A. Koetke, D. D. Kollegger, T. Kopytine, M. Kotchenda, L. Kouchpil, V. Kowalik, K. L. Kravtsov, P. Kravtsov, V. I. Krueger, K. Kuhn, C. Kulikov, A. I. Kumar, A. Kurnadi, P. Kuznetsov, A. A. Lamont, M. A. C. Landgraf, J. M. Lange, S. LaPointe, S. Laue, F. Lauret, J. Lebedev, A. Lednicky, R. Lee, C.-H. Lehocka, S. LeVine, M. J. Li, C. Li, Q. Li, Y. Lin, G. Lin, X. Lindenbaum, S. J. Lisa, M. A. Liu, F. Liu, H. Liu, J. Liu, L. Ljubicic, T. Llope, W. J. Longacre, R. S. Love, W. A. Lu, Y. Ludlam, T. Lynn, D. Ma, G. L. Ma, J. G. Ma, Y. G. Mahapatra, D. P. Majka, R. Mangotra, L. K. Manweiler, R. Margetis, S. Markert, C. Martin, L. Matis, H. S. Matulenko, Yu. A. McShane, T. S. Meschanin, A. Millane, J. Miller, M. L. Minaev, N. G. Mioduszewski, S. Mischke, A. Mitchell, J. Mohanty, B. Morozov, D. A. Munhoz, M. G. Nandi, B. K. Nattrass, C. Nayak, T. K. Nelson, J. M. Nepali, C. Netrakanti, P. K. Nogach, L. V. Nurushev, S. B. Odyniec, G. Ogawa, A. Okorokov, V. Olson, D. Pachr, M. Pal, S. K. Panebratsev, Y. Pavlinov, A. I. Pawlak, T. Peitzmann, T. Perevoztchikov, V. Perkins, C. Peryt, W. Phatak, S. C. Planinic, M. Pluta, J. Poljak, N. Porile, N. Poskanzer, A. M. Potekhin, M. Potrebenikova, E. Potukuchi, B. V. K. S. Prindle, D. Pruneau, C. Pruthi, N. K. Putschke, J. Qattan, I. A. Raniwala, R. Raniwala, S. Ray, R. L. Relyea, D. Ridiger, A. Ritter, H. G. Roberts, J. B. Rogachevskiy, O. V. Romero, J. L. Rose, A. Roy, C. Ruan, L. Russcher, M. J. Sahoo, R. Sakrejda, I. Sakuma, T. Salur, S. Sandweiss, J. Sarsour, M. Sazhin, P. S. Schambach, J. Scharenberg, R. P. Schmitz, N. Seger, J. Selyuzhenkov, I. Seyboth, P. Shabetai, A. Shahaliev, E. Shao, M. Sharma, M. Shen, W. Q. Shimanskiy, S. S. Sichtermann, E. P. Simon, F. Singaraju, R. N. Smirnov, N. Snellings, R. Sorensen, P. Sowinski, J. Speltz, J. Spinka, H. M. Srivastava, B. Stadnik, A. Stanislaus, T. D. S. Staszak, D. Stevens, J. Stock, R. Strikhanov, M. Stringfellow, B. Suaide, A. A. P. Suarez, M. C. Subba, N. L. Sumbera, M. Sun, X. M. Sun, Z. Surrow, B. Symons, T. J. M. de Toledo, A. Szanto Takahashi, J. Tang, A. H. Tarnowsky, T. Thomas, J. H. Timmins, A. R. Timoshenko, S. Tokarev, M. Trainor, T. A. Trentalange, S. Tribble, R. E. Tsai, O. D. Ulery, J. Ullrich, T. Underwood, D. G. Van Buren, G. van der Kolk, N. van Leeuwen, M. Vander Molen, A. M. Varma, R. Vasilevski, I. M. Vasiliev, A. N. Vernet, R. Vigdor, S. E. Viyogi, Y. P. Vokal, S. Voloshin, S. A. Wada, M. Waggoner, W. T. Wang, F. Wang, G. Wang, J. S. Wang, X. L. Wang, Y. Webb, J. C. Westfall, G. D. Whitten, C. Wieman, H. Wissink, S. W. Witt, R. Wu, J. Wu, Y. Xu, N. Xu, Q. H. Xu, Z. Yepes, P. Yoo, I.-K. Yue, Q. Yurevich, V. I. Zawisza, M. Zhan, W. Zhang, H. Zhang, W. M. Zhang, Y. Zhang, Z. P. Zhao, Y. Zhong, C. Zhou, J. Zoulkarneev, R. Zoulkarneeva, Y. Zubarev, A. N. Zuo, J. X. CA STAR Collaboration TI Measurement of transverse single-spin asymmetries for dijet production in proton-proton collisions at root s=200 GeV SO PHYSICAL REVIEW LETTERS LA English DT Article ID DEEP-INELASTIC SCATTERING; ELECTROMAGNETIC CALORIMETER; STATE INTERACTIONS; HARD-SCATTERING; DRELL-YAN AB We report the first measurement of the opening angle distribution between pairs of jets produced in high-energy collisions of transversely polarized protons. The measurement probes (Sivers) correlations between the transverse spin orientation of a proton and the transverse momentum directions of its partons. With both beams polarized, the wide pseudorapidity (-1 <=eta <=+2) coverage for jets permits separation of Sivers functions for the valence and sea regions. The resulting asymmetries are all consistent with zero and considerably smaller than Sivers effects observed in semi-inclusive deep inelastic scattering. We discuss theoretical attempts to reconcile the new results with the sizable transverse spin effects seen in semi-inclusive deep inelastic scattering and forward hadron production in pp collisions. C1 Univ Illinois, Chicago, IL 60607 USA. Argonne Natl Lab, Argonne, IL 60439 USA. Univ Birmingham, Birmingham, W Midlands, England. Brookhaven Natl Lab, Upton, NY 11973 USA. CALTECH, Pasadena, CA 91125 USA. Univ Calif Davis, Davis, CA 95616 USA. Univ Calif Los Angeles, Los Angeles, CA 90095 USA. Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. Creighton Univ, Omaha, NE 68178 USA. Acad Sci Czech Republic, Inst Phys Nucl, Prague 25068, Czech Republic. Joint Inst Nucl Res Dubna, Lab High Energy, Dubna, Russia. Joint Inst Nucl Res Dubna, Particle Phys Lab, Dubna, Russia. Goethe Univ Frankfurt, D-6000 Frankfurt, Germany. Inst Phys, Bhubaneswar 751005, Orissa, India. Indian Inst Technol, Bombay 400076, Maharashtra, India. Indiana Univ, Bloomington, IN 47408 USA. Inst Rech Subatom, Strasbourg, France. Univ Jammu, Jammu 180001, India. Kent State Univ, Kent, OH 44242 USA. Inst Modern Phys, Lanzhou, Peoples R China. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. MIT, Cambridge, MA 02139 USA. Max Planck Inst Phys & Astrophys, D-80805 Munich, Germany. Michigan State Univ, E Lansing, MI 48824 USA. Moscow Phys Engn Inst, Moscow, Russia. CUNY City Coll, New York, NY 10031 USA. Univ Utrecht, Amsterdam, Netherlands. NIKHEF H, NL-1009 DB Amsterdam, Netherlands. Ohio State Univ, Columbus, OH 43210 USA. Panjab Univ, Chandigarh 160014, India. Penn State Univ, University Pk, PA 16802 USA. Inst High Energy Phys, Protvino, Russia. Purdue Univ, W Lafayette, IN 47907 USA. Pusan Natl Univ, Pusan 609735, South Korea. Univ Rajasthan, Jaipur 302004, Rajasthan, India. Rice Univ, Houston, TX 77251 USA. Univ Sao Paulo, Sao Paulo, Brazil. Univ Sci & Technol China, Anhua 230026, Peoples R China. Shanghai Inst Appl Phys, Shanghai 201800, Peoples R China. SUBATECH, Nantes, France. Texas A&M Univ, College Stn, TX 77843 USA. Univ Texas, Austin, TX 78712 USA. Tsinghua Univ, Beijing 100084, Peoples R China. Valparaiso Univ, Valparaiso, IN 46383 USA. Ctr Variable Energy Cyclotron, Kolkata 700064, W Bengal, India. Warsaw Univ Technol, Warsaw, Poland. Univ Washington, Seattle, WA 98195 USA. Wayne State Univ, Detroit, MI 48201 USA. CCNU HZNU, Inst Particle Phys, Wuhan 430079, Peoples R China. Yale Univ, New Haven, CT 06520 USA. Univ Zagreb, HR-10002 Zagreb, Croatia. RP Abelev, BI (reprint author), Univ Illinois, Chicago, IL 60607 USA. RI Chaloupka, Petr/E-5965-2012; Barnby, Lee/G-2135-2010; Mischke, Andre/D-3614-2011; Takahashi, Jun/B-2946-2012; Planinic, Mirko/E-8085-2012; Peitzmann, Thomas/K-2206-2012; Witt, Richard/H-3560-2012; Voloshin, Sergei/I-4122-2013; Lednicky, Richard/K-4164-2013; Sumbera, Michal/O-7497-2014; Strikhanov, Mikhail/P-7393-2014; Dogra, Sunil /B-5330-2013; Fornazier Guimaraes, Karin Silvia/H-4587-2016; Nattrass, Christine/J-6752-2016; Suaide, Alexandre/L-6239-2016; van der Kolk, Naomi/M-9423-2016; Okorokov, Vitaly/C-4800-2017; Ma, Yu-Gang/M-8122-2013; OI Barnby, Lee/0000-0001-7357-9904; Takahashi, Jun/0000-0002-4091-1779; Peitzmann, Thomas/0000-0002-7116-899X; Sumbera, Michal/0000-0002-0639-7323; Strikhanov, Mikhail/0000-0003-2586-0405; Fornazier Guimaraes, Karin Silvia/0000-0003-0578-9533; Nattrass, Christine/0000-0002-8768-6468; Suaide, Alexandre/0000-0003-2847-6556; van der Kolk, Naomi/0000-0002-8670-0408; Okorokov, Vitaly/0000-0002-7162-5345; Ma, Yu-Gang/0000-0002-0233-9900; Mohanty, Bedangadas/0000-0001-9610-2914; Bhasin, Anju/0000-0002-3687-8179; van Leeuwen, Marco/0000-0002-5222-4888; Qattan, Issam/0000-0001-5079-9840 NR 35 TC 29 Z9 29 U1 0 U2 4 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 OCT 5 PY 2007 VL 99 IS 14 AR 142003 DI 10.1103/PhysRevLett.99.142003 PG 6 WC Physics, Multidisciplinary SC Physics GA 217UY UT WOS:000249974000015 PM 17930662 ER PT J AU Bruce, R Jowett, JM Gilardoni, S Drees, A Fischer, W Tepikian, S Klein, SR AF Bruce, R. Jowett, J. M. Gilardoni, S. Drees, A. Fischer, W. Tepikian, S. Klein, S. R. TI Observations of beam losses due to bound-free pair production in a heavy-ion collider SO PHYSICAL REVIEW LETTERS LA English DT Article ID ELECTRON-CAPTURE; COLLISIONS AB We report the first observations of beam losses due to bound-free pair production at the interaction point of a heavy-ion collider. This process is expected to be a major luminosity limit for the CERN Large Hadron Collider when it operates with Pb-208(82+) ions because the localized energy deposition by the lost ions may quench superconducting magnet coils. Measurements were performed at the BNL Relativistic Heavy Ion Collider (RHIC) during operation with 100 GeV/nucleon Cu-63(29+) ions. At RHIC, the rate, energy and magnetic field are low enough so that magnet quenching is not an issue. The hadronic showers produced when the single-electron ions struck the RHIC beam pipe were observed using an array of photodiodes. The measurement confirms the order of magnitude of the theoretical cross section previously calculated by others. C1 CERN, Geneva, Switzerland. BNL, New York, NY USA. LBNL, Berkeley, CA USA. RP Bruce, R (reprint author), CERN, Geneva, Switzerland. EM roderik.bruce@cern.ch OI Jowett, John M./0000-0002-9492-3775 NR 17 TC 16 Z9 16 U1 1 U2 3 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 5 PY 2007 VL 99 IS 14 AR 144801 DI 10.1103/PhysRevLett.99.144801 PG 4 WC Physics, Multidisciplinary SC Physics GA 217UY UT WOS:000249974000030 PM 17930677 ER PT J AU Chia, EEM Zhu, JX Talbayev, D Averitt, RD Taylor, AJ Oh, KH Jo, IS Lee, SI AF Chia, Elbert E. M. Zhu, Jian-Xin Talbayev, D. Averitt, R. D. Taylor, A. J. OH, Kyu-Hwan Jo, In-Sun Lee, S. I. TI Observation of competing order in a High-T-c superconductor using femtosecond optical pulses SO PHYSICAL REVIEW LETTERS LA English DT Article ID QUASI-PARTICLE DYNAMICS; ANTIFERROMAGNETIC ORDER; ELECTRON; STATE; YBA2CU3O7-DELTA; TEMPERATURE; RELAXATION AB We present studies of the photoexcited quasiparticle dynamics in Tl2Ba2Ca2Cu3Oy (Tl-2223) using femtosecond optical techniques. Deep into the superconducting state (below 40 K), a dramatic change occurs in the temporal dynamics associated with photoexcited quasiparticles rejoining the condensate. This is suggestive of entry into a coexistence phase which, as our analysis reveals, opens a gap in the density of states (in addition to the superconducting gap), and furthermore, competes with superconductivity resulting in a depression of the superconducting gap. C1 Los Alamos Natl Lab, MPA CINT, Los Alamos, NM 87545 USA. Pohang Univ Sci & Technol, Natl Creat Res Inst Initiat Ctr Superconduct, Pohang 790784, South Korea. Pohang Univ Sci & Technol, Dept Phys, Pohang 790784, South Korea. RP Averitt, RD (reprint author), Los Alamos Natl Lab, MPA CINT, Los Alamos, NM 87545 USA. RI Talbayev, Diyar/C-5525-2009; Chia, Elbert/B-6996-2011; Jo, Insun/B-4944-2011; OI Talbayev, Diyar/0000-0003-3537-1656; Chia, Elbert/0000-0003-2066-0834; Zhu, Jianxin/0000-0001-7991-3918 NR 26 TC 37 Z9 38 U1 1 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 5 PY 2007 VL 99 IS 14 AR 147008 DI 10.1103/PhysRevLett.99.147008 PG 4 WC Physics, Multidisciplinary SC Physics GA 217UY UT WOS:000249974000064 PM 17930711 ER PT J AU Davoudiasl, H AF Davoudiasl, Hooman TI Constraining unparticle physics with cosmology and astrophysics SO PHYSICAL REVIEW LETTERS LA English DT Article ID DIMENSIONS AB It has recently been suggested that a scale-invariant "unparticle" sector with a nontrivial infrared fixed point may couple to the standard model (SM) via higher-dimensional operators. The weakness of such interactions hides the unparticle phenomena at low energies. We demonstrate how cosmology and astrophysics can place significant bounds on the strength of unparticle-SM interactions. We also discuss the possibility of a having a non-negligible unparticle relic density today. C1 Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Davoudiasl, H (reprint author), Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. EM hooman@bnl.gov NR 22 TC 80 Z9 80 U1 0 U2 1 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 5 PY 2007 VL 99 IS 14 AR 141301 DI 10.1103/PhysRevLett.99.141301 PG 4 WC Physics, Multidisciplinary SC Physics GA 217UY UT WOS:000249974000009 PM 17930656 ER PT J AU Ijiri, Y Schulthess, TC Borchers, JA van der Zaag, PJ Erwin, RW AF Ijiri, Y. Schulthess, T. C. Borchers, J. A. van der Zaag, P. J. Erwin, R. W. TI Link between perpendicular coupling and exchange biasing in Fe3O4/CoOMultilayers SO PHYSICAL REVIEW LETTERS LA English DT Article ID BIASED FE3O4/COO SUPERLATTICES; MAGNETIC ANISOTROPY; FILMS; ANTIFERROMAGNET; MODEL; INTERFACES; COO AB In studying well-characterized, exchange-biased Fe3O4/CoO superlattices, we demonstrate a causal link between the exchange bias effect and the perpendicular coupling of the ferrimagnetic and antiferromagnetic spins. Neutron diffraction studies reveal that for thin CoO layers the onset temperature for exchange biasing T-B matches the onset of locked-in, preferential perpendicular coupling of the spins, rather than the antiferromagnetic ordering temperature T-N. The results are explained by considering the role of anisotropic exchange first proposed by Dzyaloshinsky and Moriya and developing a model based purely on information on structural defects and exchange for these oxides. The devised mechanism provides a general explanation of biasing in systems with perpendicular coupling. C1 Oberlin Coll, Dept Phys & Astron, Oberlin, OH 44074 USA. Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. NIST, Ctr Neutron Res, Natl Inst Stand & Technol, Gaithersburg, MD 20899 USA. Philips Res Labs, NL-5656 AA Eindhoven, Netherlands. RP Ijiri, Y (reprint author), Oberlin Coll, Dept Phys & Astron, Oberlin, OH 44074 USA. RI van der Zaag, Pieter/F-7431-2014 OI van der Zaag, Pieter/0000-0001-9080-4907 NR 30 TC 26 Z9 26 U1 2 U2 32 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 5 PY 2007 VL 99 IS 14 AR 147201 DI 10.1103/PhysRevLett.99.147201 PG 4 WC Physics, Multidisciplinary SC Physics GA 217UY UT WOS:000249974000065 PM 17930712 ER PT J AU Krupin, O Rotenberg, E Kevan, SD AF Krupin, O. Rotenberg, Eli Kevan, S. D. TI Controlling the magnetic ground state in Cr1-xVx films SO PHYSICAL REVIEW LETTERS LA English DT Article ID SPIN-DENSITY WAVES; EPITAXIAL CR(001) FILMS; CHROMIUM-ALLOYS; FE/CR(001) SUPERLATTICES; PHASE-TRANSITION; CR(110) SURFACE; DYNAMICS; CR; ANTIFERROMAGNETISM; MULTILAYERS AB We demonstrate the ability to control the magnetic phase diagram of Cr1-xVx(110) thin films grown on a W(110) substrate. Using angle-resolved photoemission, we have mapped paramagnetic and commensurate and incommensurate antiferromagnetic phases as a function of temperature, film thickness, and composition. We show that surface-localized electron states play a key role in the observed phase behaviors and suggest from this that it might be possible to control the magnetic phase by applying an external electric field. C1 Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. Univ Oregon, Dept Phys, Eugene, OR 97403 USA. RP Krupin, O (reprint author), Lawrence Berkeley Natl Lab, Adv Light Source, 6-2100, Berkeley, CA 94720 USA. RI Rotenberg, Eli/B-3700-2009; Kevan, Stephen/F-6415-2010 OI Rotenberg, Eli/0000-0002-3979-8844; Kevan, Stephen/0000-0002-4621-9142 NR 37 TC 7 Z9 7 U1 0 U2 12 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 5 PY 2007 VL 99 IS 14 AR 147208 DI 10.1103/PhysRevLett.99.147208 PG 4 WC Physics, Multidisciplinary SC Physics GA 217UY UT WOS:000249974000072 PM 17930719 ER PT J AU Liu, JZ Trimarchi, G Zunger, A AF Liu, Jefferson Z. Trimarchi, Giancarlo Zunger, Alex TI Strain-minimizing tetrahedral networks of semiconductor alloys SO PHYSICAL REVIEW LETTERS LA English DT Article ID LONG-RANGE ORDER; PHASE-DIAGRAMS; STABILITY; SURFACE; SYSTEMS; ENERGY AB The atomic size mismatch between different binary semiconductors has been long known to limit their mutual solubility, leading instead to phase separation into incoherent phases, forming inhomogeneous mixtures that severely limit technological applications that rely on carrier transport. We show here that this atomic size mismatch can lead, under coherent conditions, to the formation of a homogeneous alloy with characteristic (201) two-monolayer ordering. This occurs because such specific layer arrangement corresponds to a unique strain-minimizing network in tetrahedral systems. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Liu, JZ (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. RI Liu, Jefferson zhe/B-5916-2008; Zunger, Alex/A-6733-2013; Trimarchi, Giancarlo/A-8225-2010 OI Liu, Jefferson zhe/0000-0002-5282-7945; Trimarchi, Giancarlo/0000-0002-0365-3221 NR 23 TC 20 Z9 20 U1 1 U2 7 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 5 PY 2007 VL 99 IS 14 AR 145501 DI 10.1103/PhysRevLett.99.145501 PG 4 WC Physics, Multidisciplinary SC Physics GA 217UY UT WOS:000249974000035 PM 17930682 ER PT J AU Urbano, RR Young, BL Curro, NJ Thompson, JD Pham, LD Fisk, Z AF Urbano, R. R. Young, B.-L. Curro, N. J. Thompson, J. D. Pham, L. D. Fisk, Z. TI Interacting antiferromagnetic droplets in quantum critical CeCoIn5 SO PHYSICAL REVIEW LETTERS LA English DT Article ID UNCONVENTIONAL SUPERCONDUCTIVITY; FERMION; COEXISTENCE; CERHIN5; ORDER; NMR AB The heavy fermion superconductor CeCoIn5 can be tuned between superconducting and antiferromagnetic ground states by hole doping with Cd. Nuclear magnetic resonance data indicate that these two orders coexist microscopically with an ordered moment similar to 0.7 mu(B). As the ground state evolves, there is no change in the low-frequency spin dynamics in the disordered state. These results suggest that the magnetism emerges locally in the vicinity of the Cd dopants. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Natl Chiao Tung Univ, Dept Electrophys, Hsinchu 300, Taiwan. Univ Calif Davis, Davis, CA 95616 USA. Univ Calif Irvine, Irvine, CA 92697 USA. RP Urbano, RR (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RI Urbano, Ricardo/F-5017-2012; Curro, Nicholas/D-3413-2009 OI Curro, Nicholas/0000-0001-7829-0237 NR 24 TC 57 Z9 58 U1 1 U2 12 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 OCT 5 PY 2007 VL 99 IS 14 AR 146402 DI 10.1103/PhysRevLett.99.146402 PG 4 WC Physics, Multidisciplinary SC Physics GA 217UY UT WOS:000249974000044 PM 17930691 ER PT J AU Zhang, PJ Liguori, M Bean, R Dodelson, S AF Zhang, Pengjie Liguori, Michele Bean, Rachel Dodelson, Scott TI Probing gravity at cosmological scales by measurements which test the relationship between gravitational lensing and matter overdensity SO PHYSICAL REVIEW LETTERS LA English DT Article ID GALAXIES; BRANE AB The standard cosmology is based on general relativity (GR) and includes dark matter and dark energy and predicts a fixed relationship between the gravitational potentials responsible for gravitational lensing and the matter overdensity. Alternative theories of gravity often make different predictions. We propose a set of measurements which can test this relationship, thereby distinguishing between dark energy or matter models and models in which gravity differs from GR. Planned surveys will be able to measure E-G, an observational quantity whose expectation value is equal to the ratio of the Laplacian of the Newtonian potentials to the peculiar velocity divergence, to percent accuracy. This will easily separate alternatives such as the cold dark matter model with a cosmological constant, Dvali-Gabadadze-Porrati, TeVeS, and f(R) gravity. C1 Chinese Acad Sci, Shanghai Astron Observ, Shanghai 200030, Peoples R China. SHAO, JOINGC, Shanghai, Peoples R China. USTC, Shanghai, Peoples R China. Univ Cambridge, Ctr Math Sci, Dept Appl Math & Theoret Phys, Cambridge CB3 0WA, England. Cornell Univ, Dept Astron, Ithaca, NY 14853 USA. Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, Batavia, IL 60510 USA. Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. RP Zhang, PJ (reprint author), Chinese Acad Sci, Shanghai Astron Observ, 80 Nandan Rd, Shanghai 200030, Peoples R China. EM pjzhang@shao.ac.cn RI ZHANG, PENGJIE/O-2825-2015 NR 37 TC 221 Z9 223 U1 2 U2 4 PU AMER PHYSICAL SOC PI COLLEGE PK PA ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA SN 0031-9007 J9 PHYS REV LETT JI Phys. Rev. Lett. PD OCT 5 PY 2007 VL 99 IS 14 AR 141302 DI 10.1103/PhysRevLett.99.141302 PG 4 WC Physics, Multidisciplinary SC Physics GA 217UY UT WOS:000249974000010 PM 17930657 ER PT J AU Mar, KA McCarthy, MC Connell, P Boering, KA AF Mar, Kathleen A. McCarthy, Michael C. Connell, Peter Boering, Kristie A. TI Modeling the photochemical origins of the extreme deuterium enrichment in stratospheric H-2 SO JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES LA English DT Article ID ATMOSPHERIC MOLECULAR-HYDROGEN; IN-SITU MEASUREMENTS; ISOTOPIC FRACTIONATION; RADICAL REACTIONS; RATE COEFFICIENTS; CROSS-SECTIONS; NITROUS-OXIDE; OH; METHANE; FORMALDEHYDE AB The isotopic composition of H-2 produced by methane oxidation ("delta D-h nu") is an important yet poorly constrained term in the global H-2 isotope budget. Box model analyses of the extreme deuterium enrichment in stratospheric H-2 demonstrated empirically that delta D-h nu is much larger than the initial delta D of CH4, a conclusion that qualitatively resolved major discrepancies between the global H-2 concentration and isotope budgets. However, the box model studies necessarily assumed that the isotopic fractionation factor for the conversion of CH4 to H-2 remains constant throughout the stratosphere and that delta D-h nu for the troposphere is equal to, or can be easily extrapolated from, the stratospheric value. Here, we use a 2-D chemical-radiative-transport model to investigate these assumptions by determining the sensitivity of the isotopic composition of H-2 (delta D-H-2) and delta D-h nu to known and unknown isotope effects in the elementary steps of the photochemical production and destruction of H-2. Our results show that four categories of isotopic fractionation, (1) kinetic isotope effects (KIEs) for CH4 and H-2 oxidation, (2) H versus D abstraction for CH3D oxidation to H-2 or HD, (3) KIEs for CH2O oxidation, and (4) isotope effects for CH2O photolysis, all play significant but varying roles in determining delta D-H-2 and delta D-h nu in the stratosphere and troposphere. Furthermore, we show that calculated delta D-h nu values vary significantly with latitude and altitude, leading to larger uncertainties in delta D-h nu than previously estimated. Using these sensitivities, we also identify the laboratory experiments, theoretical calculations, and observations most needed to reduce uncertainties in the magnitude of delta D-h nu and, hence, the global H-2 isotope budget. C1 Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. Sonoma Technol Inc, Petaluma, CA USA. Lawrence Livermore Natl Lab, Livermore, CA USA. Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. RP Mar, KA (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM boering@berkeley.edu RI McCarthy, Michael/E-5970-2010 NR 57 TC 12 Z9 12 U1 0 U2 5 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0148-0227 J9 J GEOPHYS RES-ATMOS JI J. Geophys. Res.-Atmos. PD OCT 4 PY 2007 VL 112 IS D19 AR D19302 DI 10.1029/2006JD007403 PG 24 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 218WF UT WOS:000250046000001 ER PT J AU Han, WQ Wen, W Yi, D Liu, Z Maye, MM Lewis, L Hanson, J Gang, O AF Han, Wei-Qiang Wen, Wen Yi, Ding Liu, Zhenxian Maye, Mathew M. Lewis, Laura Hanson, Jonathan Gang, Oleg TI Fe-Doped trititanate nanotubes: Formation, optical and magnetic properties, and catalytic applications SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID TITANATE NANOTUBES; WATER AB We have synthesized crystalline Fe-doped trititanate nanotubes via a wet-chemistry method. The products were characterized by high-resolution transmission electron microscopy (TEM), energy-dispersive X-ray spectrometry (EDS), in-situ X-ray diffraction (XRD), ultraviolet-visible spectrophotometry (UV-vis), synchrotron infrared (IR) spectroscopy, and temperature-dependent magnetometry. The Fe-doped trititanate nanotubes are about 8 nm in diameter and up to 1 mu m long. EDS revealed that the Fe-doping ratio is about 0.5%, while IR and UV-vis spectra reveal the effects of doping. In-situ XRD experiments demonstrate the transformation of the trititanate to titania phase under a reductive atmosphere. The Fe-doped trititanate nanotubes exhibited noticeable catalytic activity in the water-gas-shift reaction. Magnetic measurements indicate that the Fe-doped trititanate nanotubes comprise a mixture of ferromagnetic and paramagnetic phases. C1 Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. Carnegie Inst Washington, Geophys Lab, Washington, DC 20015 USA. RP Han, WQ (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. EM whan@bnl.gov RI Hanson, jonathan/E-3517-2010; Han, WQ/E-2818-2013 NR 19 TC 24 Z9 26 U1 2 U2 10 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD OCT 4 PY 2007 VL 111 IS 39 BP 14339 EP 14342 DI 10.1021/jp074381f PG 4 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 215VY UT WOS:000249838300012 ER PT J AU Andersson, K Ketteler, G Bluhm, H Yamamoto, S Ogasawara, H Pettersson, LGM Salmeron, M Nilsson, A AF Andersson, Klas Ketteler, Guido Bluhm, Hendrik Yamamoto, Susumu Ogasawara, Hirohito Pettersson, Lars G. M. Salmeron, Miquel Nilsson, Anders TI Bridging the pressure gap in water and hydroxyl chemistry on metal surfaces: The Cu(110) case SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID DISSOCIATIVE ADSORPTION; OXYGEN; H2O; CHEMISORPTION; SPECTROSCOPY; KINETICS; RECONSTRUCTION; DESORPTION; MECHANISM; PT(111) AB We report the first measurements on the,quantitative partitioning of water between its molecular and dissociated forms at a gas-metal interface under elevated water pressures and temperatures. By means of synchrotron-based in situ photoelectron spectroscopy, mixed H2O and OH phases on Cu(110) at H2O pressures up to 1 Torr in the 275-520 K temperature range are studied. In increasing order of stability, three phases with H2O/OH ratios of 2:11 1:1, and 0:1 were observed. It was found that surprisingly large quantities of molecular water are present on the surface up to 428 K in 1 Torr H2O. A detailed comparison with previous ultrahigh vacuum (UHV) studies shows that the observed species, phases, and chemical kinetics under UHV compare very well with our results at elevated pressures and temperatures. The stability of the hydrogen-bonded H2O-OH complex at the surface, and its influence on the adsorption -desorption and dissociation kinetics, constitutes the essential link between our results and those obtained under UHV conditions. C1 Stanford Synchrotron Radiat Lab, Stanford, CA 94309 USA. Stockholm Univ, AlbaNova Univ Ctr, FYSIKUM, SE-10691 Stockholm, Sweden. Div Mat Sci, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Div Chem Sci, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Nilsson, A (reprint author), Stanford Synchrotron Radiat Lab, PO Box 20450, Stanford, CA 94309 USA. EM nilsson@slac.stanford.edu RI Yamamoto, Susumu/C-1584-2008; Nilsson, Anders/E-1943-2011; Pettersson, Lars/F-8428-2011; Pettersson, Lars/J-4925-2013; Ogasawara, Hirohito/D-2105-2009; OI Yamamoto, Susumu/0000-0002-6116-7993; Nilsson, Anders/0000-0003-1968-8696; Pettersson, Lars/0000-0003-1133-9934; Ogasawara, Hirohito/0000-0001-5338-1079; Andersson, Klas J./0000-0002-6064-5658 NR 35 TC 44 Z9 44 U1 2 U2 33 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD OCT 4 PY 2007 VL 111 IS 39 BP 14493 EP 14499 DI 10.1021/jp073681u PG 7 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 215VY UT WOS:000249838300032 ER PT J AU Bronkema, JL Leo, DC Bell, AT AF Bronkema, Jason L. Leo, Dewi C. Bell, Alexis T. TI Mechanistic studies of methanol oxidation to formaldehyde on isolated vanadate sites supported on high surface area anatase SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID VANADIUM-OXIDE CATALYSTS; RAY-ABSORPTION-SPECTROSCOPY; TIO2; ADSORPTION; IR; SILICA; RAMAN; DECOMPOSITION; REACTIVITY; DISPERSION AB The mechanism for methanol oxidation on both TiO2 and V/TiO2 was investigated using temperature-programmed experiments with in-situ infrared spectroscopy. Infrared and Raman spectroscopy, along with XANES, show that the V/TiO2 sample consists predominantly of isolated VO4 units after calcination. Methanol was found to adsorb on the catalyst in three ways at 323 K: (1) molecularly, (2) across Ti-O-Ti bonds to form Ti-OCH3/Ti-OH pairs, and (3) across V-O-Ti bonds to form V-OCH3/Ti-OH pairs. Upon heating, two desorption peaks for CH3OH and H2O were observed on all samples below 500 K. Although TiO2 produced small amounts of CH2O, the addition of vanadium greatly enhanced the rate of formaldehyde formation. Also, on the V/TiO2 samples, it was noticed that the Ti-OCH3 groups disappear much more rapidly than on TiO2 alone. This is likely due to the reverse spillover of methoxide species from Ti to V, with the reaction occurring at lower temperatures at the vanadium center. Formate species were also detected during the experiments, and they are assumed to be intermediates in the decomposition of formaldehyde to CO, CO2, and H2O. The apparent activation energy of V/TiO2 for the formation of CH2O is 16.kcal/mol. C1 Univ Calif Berkeley, Dept Chem Engn, Div Chem Sci, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Bell, AT (reprint author), Univ Calif Berkeley, Dept Chem Engn, Div Chem Sci, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM alexbell@berkeley.edu OI Bell, Alexis/0000-0002-5738-4645 NR 30 TC 34 Z9 34 U1 1 U2 24 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD OCT 4 PY 2007 VL 111 IS 39 BP 14530 EP 14540 DI 10.1021/jp073826x PG 11 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 215VY UT WOS:000249838300037 ER PT J AU Kilina, S Tretiak, S Yarotski, DA Zhu, JX Modine, N Taylor, A Balatsky, AV AF Kilina, Svetlana Tretiak, Sergei Yarotski, Dzmitry A. Zhu, Jian-Xin Modine, Norman Taylor, Antoinette Balatsky, Alexander V. TI Electronic properties of DNA base molecules adsorbed on a metallic surface SO JOURNAL OF PHYSICAL CHEMISTRY C LA English DT Article ID SCANNING TUNNELING MICROSCOPE; NUCLEIC-ACID BASES; DENSITY-FUNCTIONAL THEORY; AB-INITIO CALCULATIONS; SOLID-STATE NANOPORE; SINGLE-STRANDED-DNA; ABSORPTION SPECTRA; GAS-PHASE; ULTRAVIOLET; TRANSITION AB The internal electronic structure of single deoxyribonucleic acid (DNA) base molecules (i.e., guanine, adenine, cytosine, and thymine) adsorbed on a metallic surface of Cu(111) is determined in detail using density functional theory (DFT) computations. In contrast to the intuitive beliefs that a molecule weakly interacts with a substrate and its electronic structure is only slightly perturbed, our simulations reveal strong hybridizations and interactions between molecular and metallic states. Stipulated by the symmetries of a base molecule and the Cu(111) surface, oxygen atoms of a base approach close to the substrate, breaking the parallel orientation of the pi-system with respect to the surface. Such a behavior is the most pronounced for one oxygen containing bases, leading to the chemisorption of cytosine and guanine and to stronger hybridization of their electronic states with metallic ones. Oxygen free adenine, on the other hand, lies nearly flat on a Cu substrate and interacts weakly with the surface through physisorption. The calculated local electron density of states spectra demonstrate the absence of pure localized molecular states for all four DNA bases, yet they show the smallest delocalization for adenine and thymine and the largest for guanine and cytosine. The observed diversity of the geometrical and electronic structures of the nucleobases on the Cu substrate provides guidelines for interpreting DNA tunneling spectra in the scanning tunneling microscopy (STM) measurements. Our results open a new prospective for understanding biomolecule adsorbates and have an important implication for a possible differentiation of nucleotide sequences in DNA through STM. C1 Ctr Nonlinear Studies, Div Theoret, Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Ctr Integrated Nanotechnol, Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Ctr Integrated Nanotechnol, Sandia Natl Lab, Albuquerque, NM 87545 USA. RP Tretiak, S (reprint author), Ctr Nonlinear Studies, Div Theoret, Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM serg@lanl.gov RI Yarotski, Dmitry/G-4568-2010; Tretiak, Sergei/B-5556-2009; OI Tretiak, Sergei/0000-0001-5547-3647; Zhu, Jianxin/0000-0001-7991-3918 NR 60 TC 38 Z9 38 U1 5 U2 40 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1932-7447 J9 J PHYS CHEM C JI J. Phys. Chem. C PD OCT 4 PY 2007 VL 111 IS 39 BP 14541 EP 14551 DI 10.1021/jp070805u PG 11 WC Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 215VY UT WOS:000249838300038 ER PT J AU Uchiyama, Y Aharonian, FA Tanaka, T Takahashi, T Maeda, Y AF Uchiyama, Yasunobu Aharonian, Felix A. Tanaka, Takaaki Takahashi, Tadayuki Maeda, Yoshitomo TI Extremely fast acceleration of cosmic rays in a supernova remnant SO NATURE LA English DT Article ID DIFFUSIVE SHOCK ACCELERATION; PARTICLE-ACCELERATION; RX J1713.7-3946; MAGNETIC-FIELD; MAXIMUM ENERGY; XMM-NEWTON; AMPLIFICATION; EMISSION; RX-J1713.7-3946; SN-1006 AB Galactic cosmic rays (CRs) are widely believed to be accelerated by shock waves associated with the expansion of supernova ejecta into the interstellar medium(1). A key issue in this long-standing conjecture is a theoretical prediction that the interstellar magnetic field can be substantially amplified at the shock of a young supernova remnant (SNR) through magnetohydrodynamic waves generated by cosmic rays(2,3). Here we report a discovery of the brightening and decay of X-ray hot spots in the shell of the SNR RX J1713.7-3946 on a one-year timescale. This rapid variability shows that the X-rays are produced by ultrarelativistic electrons through a synchrotron process and that electron acceleration does indeed take place in a strongly magnetized environment, indicating amplification of the magnetic field by a factor of more than 100. The X-ray variability also implies that we have witnessed the ongoing shock-acceleration of electrons in real time. Independently, broadband X-ray spectro-metric measurements(4) of RX J1713.7-3946 indicate that electron acceleration proceeds in the most effective ('Bohm-diffusion') regime. Taken together, these two results provide a strong argument for acceleration of protons and nuclei to energies of 1 PeV (10(15) eV) and beyond in young supernova remnants. C1 Japan Aerosp Explorat Agcy, Inst Space & Astronaut Sci, Dept High Energy Astrophys, Kanagawa 2298510, Japan. Dublin Inst Adv Studies, Dublin 2, Ireland. Max Planck Inst Kernphys, D-69029 Heidelberg, Germany. Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. RP Uchiyama, Y (reprint author), Japan Aerosp Explorat Agcy, Inst Space & Astronaut Sci, Dept High Energy Astrophys, 3-1-1 Yoshinodai, Kanagawa 2298510, Japan. EM uchiyama@astro.isas.jaxa.jp NR 26 TC 250 Z9 252 U1 0 U2 5 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0028-0836 J9 NATURE JI Nature PD OCT 4 PY 2007 VL 449 IS 7162 BP 576 EP 578 DI 10.1038/nature06210 PG 3 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 216QG UT WOS:000249893500039 PM 17914390 ER PT J AU Nam, MS Ardavan, A Blundell, SJ Schlueter, JA AF Nam, Moon-Sun Ardavan, Arzhang Blundell, Stephen J. Schlueter, John A. TI Fluctuating superconductivity in organic molecular metals close to the Mott transition SO NATURE LA English DT Article ID UPPER CRITICAL-FIELD; PENETRATION DEPTH; CRITICAL-TEMPERATURE; KAPPA-(BEDT-TTF)(2)CU(NCS)(2); DEPENDENCE; INSULATOR; PHYSICS; STATE AB On cooling through the transition temperature T-c of a conventional superconductor, an energy gap develops as the normal-state charge carriers form Cooper pairs; these pairs form a phase-coherent condensate that exhibits the well-known signatures of superconductivity: zero resistivity and the expulsion of magnetic flux (the Meissner effect(1)). However, in many unconventional superconductors, the formation of the energy gap is not coincident with the formation of the phase-coherent super-fluid. Instead, at temperatures above the critical temperature a range of unusual properties, collectively known as 'pseudogap phenomena', are observed(2). Here we argue that a key pseudogap phenomenon-fluctuating superconductivity occurring substantially above the transition temperature-could be induced by the proximity of a Mott-insulating state. The Mott-insulating state in the kappa-(BEDT-TTF)(2)X organic molecular metals(3-5) can be tuned, without doping, through superconductivity into a normal metallic state as a function of the parameter t/U, where t is the tight-binding transfer integral characterizing the metallic bandwidth and U is the on-site Coulomb repulsion. By exploiting a particularly sensitive probe of superconducting fluctuations, the vortex-Nernst effect, we find that a fluctuating regime develops as t/U decreases and the role of Coulomb correlations increases. C1 Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. RP Ardavan, A (reprint author), Univ Oxford, Dept Phys, Clarendon Lab, Oxford OX1 3PU, England. EM arzhang.ardavan@physics.ox.ac.uk NR 33 TC 44 Z9 44 U1 1 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 OCT 4 PY 2007 VL 449 IS 7162 BP 584 EP 587 DI 10.1038/nature06182 PG 4 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 216QG UT WOS:000249893500041 PM 17914392 ER PT J AU Pathak, MM Yarov-Yarovoy, V Agarwal, G Roux, B Barth, P Kohout, S Tombola, F Isacoff, EY AF Pathak, Medha M. Yarov-Yarovoy, Vladimir Agarwal, Gautam Roux, Benoit Barth, Patrick Kohout, Susy Tombola, Francesco Isacoff, Ehud Y. TI Closing in on the resting state of the shaker K+ channel SO NEURON LA English DT Article ID GATED ION CHANNELS; VOLTAGE SENSOR MOVEMENT; FOCUSED ELECTRIC-FIELD; POTASSIUM CHANNEL; GATING-CHARGE; TRANSMEMBRANE MOVEMENT; STRUCTURE PREDICTION; STRUCTURAL MODELS; SODIUM-CHANNELS; ACTIVATION GATE AB Membrane depolarization causes voltage-gated ion channels to transition from a resting/ closed conformation to an activated/open conformation. We used voltage-clamp fluorometry to measure protein motion at specific regions of the Shaker Kv channel. This enabled us to construct new structural models of the resting/ closed and activated/open states based on the Kv1.2 crystal structure using the Rosetta-Membrane method and molecular dynamics simulations. Our models account for the measured gating charge displacement and suggest a molecular mechanism of activation in which the primary voltage sensors, S4s, rotate by similar to 1800 degrees as they move "outward" by 6-8 angstrom. A subsequent tilting motion of the S4s and the pore domain helices, S5s, of all four subunits induces a concerted movement of the channel's S4-S5 linkers and S6 helices, allowing ion conduction. Our models are compatible with a wide body of data and resolve apparent contradictions that previously led to several distinct models of voltage sensing. C1 Univ Calif Berkeley, Biophys Grad Program, Berkeley, CA 94720 USA. Univ Calif Berkeley, Grad Program Neurosci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mol & Cell Biol, Berkeley, CA 94720 USA. Univ Washington, Dept Pharmacol, Seattle, WA 98195 USA. Univ Washington, Dept Biochem, Seattle, WA 98195 USA. Univ Chicago, Inst Mol Pediat Sci, Chicago, IL 60637 USA. Univ Chicago, Dept Biochem & Mol Biol, Chicago, IL 60637 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Phys Biosci Div, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Sci Mat, Berkeley, CA 94720 USA. RP Isacoff, EY (reprint author), Univ Calif Berkeley, Biophys Grad Program, Berkeley, CA 94720 USA. EM ehud@berkeley.edu RI Tombola, Francesco/C-7311-2011; OI Agarwal, Gautam/0000-0001-7300-7586 FU NIGMS NIH HHS [R01 GM062342, GM62342]; NIMH NIH HHS [K01 MH67625]; NINDS NIH HHS [R01 NS035549, R01 NS15751] NR 64 TC 199 Z9 201 U1 4 U2 17 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0896-6273 J9 NEURON JI Neuron PD OCT 4 PY 2007 VL 56 IS 1 BP 124 EP 140 DI 10.1016/j.neuron.2007.09.023 PG 17 WC Neurosciences SC Neurosciences & Neurology GA 222IN UT WOS:000250289800015 PM 17920020 ER PT J AU Beane, SR Orginos, K Savage, MJ AF Beane, Silas R. Orginos, Kostas Savage, Martin J. TI The Gell-Mann-Okubo mass relation among baryons from fully-dynamical mixed-action lattice QCD SO PHYSICS LETTERS B LA English DT Article ID CHIRAL PERTURBATION-THEORY; SYMMETRIES; FERMIONS; DECAYS AB We explore the Gell-Mann-Okubo mass relation among the octet baryons using fully-dynamical, mixed-action (domain-wall on rootedstaggered) lattice QCD calculations at a lattice spacing of b similar to 0. 125 fm and pion masses of m pi similar to 290, 350, 490 and 590 MeV. Deviations from the Gell-Mann-Okubo mass relation are found to be small at each quark mass. (C) 2007 Elsevier B.V. All rights reserved. C1 Univ Washington, Dept Phys, Seattle, WA 98195 USA. Univ New Hampshire, Dept Phys, Durham, NH 03824 USA. Jefferson Lab, Newport News, VA 23606 USA. Coll William & Mary, Dept Phys, Williamsburg, VA 23187 USA. RP Savage, MJ (reprint author), Univ Washington, Dept Phys, Seattle, WA 98195 USA. EM savage@phys.washington.edu NR 50 TC 18 Z9 18 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0370-2693 EI 1873-2445 J9 PHYS LETT B JI Phys. Lett. B PD OCT 4 PY 2007 VL 654 IS 1-2 BP 20 EP 26 DI 10.1016/j.physletb.2007.05.062 PG 7 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 222FW UT WOS:000250282500004 ER PT J AU Yakubovskaya, E Lukin, M Chen, ZX Berriman, J Wall, JS Kobayashi, R Kisker, C Bogenhagen, DF AF Yakubovskaya, Elena Lukin, Mark Chen, Zhixin Berriman, John Wall, Joseph S. Kobayashi, Ryuji Kisker, Caroline Bogenhagen, Daniel F. TI The EM structure of human DNA polymerase gamma reveals a localized contact between the catalytic and accessory subunits SO EMBO JOURNAL LA English DT Article DE DNA polymerase gamma; electron microscopy; mitochondrial DNA; processivity; replication ID TRANSFER-RNA SYNTHETASES; CLAMP-LOADING COMPLEX; ELECTRON-MICROSCOPY; CRYSTAL-STRUCTURE; RESOLUTION; VISUALIZATION; REPLICATION; MUTATIONS; REPAIR; PROCESSIVITY AB We used electron microscopy to examine the structure of human DNA pol gamma, the heterotrimeric mtDNA replicase implicated in certain mitochondrial diseases and aging models. Separate analysis of negatively stained preparations of the catalytic subunit, pol gamma A, and of the holoenzyme including a dimeric accessory factor, pol gamma B-2, permitted unambiguous identification of the position of the accessory factor within the holoenzyme. The model explains protection of a partial chymotryptic cleavage site after residue L-549 of pol gamma A upon binding of the accessory subunit. This interaction region is near residue 467 of pol gamma A, where a disease-related mutation has been reported to impair binding of the B subunit. One pol gamma B subunit dominates contacts with the catalytic subunit, while the second B subunit is largely exposed to solvent. A model for pol c is discussed that considers the effects of known mutations in the accessory subunit and the interaction of the enzyme with DNA. C1 SUNY Stony Brook, Dept Pharmacol Sci, Stony Brook, NY 11794 USA. New York Struct Biol Ctr, New York, NY USA. Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. Univ Texas, MD Anderson Canc Ctr, Dept Mol Pathol, Houston, TX 77030 USA. Univ Wurzburg, Inst Biol Struct, Rudolf Virchow Ctr Expt Biomed, Wurzburg, Germany. RP Bogenhagen, DF (reprint author), SUNY Stony Brook, Dept Pharmacol Sci, Bst8-140, Stony Brook, NY 11794 USA. EM dan@pharm.sunysb.edu FU NIBIB NIH HHS [P41 EB002181, 5 P41 EB2181]; NIGMS NIH HHS [R01 GM029681] NR 35 TC 14 Z9 14 U1 0 U2 1 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK STREET, 9TH FLOOR, NEW YORK, NY 10013-1917 USA SN 0261-4189 J9 EMBO J JI Embo J. PD OCT 3 PY 2007 VL 26 IS 19 BP 4283 EP 4291 DI 10.1038/sj.emboj.7601843 PG 9 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 224SN UT WOS:000250466800010 PM 17762861 ER PT J AU Graves, CR Scott, BL Morris, DE Kiplinger, JL AF Graves, Christopher R. Scott, Brian L. Morris, David E. Kiplinger, Jaqueline L. TI Facile access to pentavalent uranium organometallics: One-electron oxidation of Uranium(IV) imido complexes with copper(I) salts SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID VALENT ORGANOURANIUM COMPLEXES; F-ELEMENT; FUNCTIONAL-GROUPS; CARBON-MONOXIDE; CHEMISTRY; REACTIVITY; ION AB Uranium(V)-imido-iodide complexes have been prepared by chemical oxidation of the corresponding uranium(IV)-imido complexes with copper(I) iodide. These U(V) organometallic systems show reversible U-V/U-IV and U-VI/U-V redox behavior in addition to classic 50 spectroscopic signatures. The generality of this Cu(I)-based oxidation protocol is demonstrated by preparation of the analogous U(V)imido-triflate and -thiolate complexes using CuOTf and CuSPh, respectively. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Kiplinger, JL (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM kiplinger@lanl.gov RI Morris, David/A-8577-2012; Kiplinger, Jaqueline/B-9158-2011; Scott, Brian/D-8995-2017 OI Kiplinger, Jaqueline/0000-0003-0512-7062; Scott, Brian/0000-0003-0468-5396 NR 24 TC 62 Z9 62 U1 0 U2 10 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 OCT 3 PY 2007 VL 129 IS 39 BP 11914 EP + DI 10.1021/ja074889w PG 3 WC Chemistry, Multidisciplinary SC Chemistry GA 216ON UT WOS:000249887700020 PM 17824614 ER PT J AU Fulton, JL Linehan, JC Autrey, T Balasubramanian, M Chen, Y Szymczak, NK AF Fulton, John L. Linehan, John C. Autrey, Tom Balasubramanian, Mahalingam Chen, Yongsheng Szymczak, Nathaniel K. TI When is a nanoparticle a cluster? An operando EXAFS study of amine borane dehydrocoupling by Rh4-6 clusters SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID CHEMICAL HYDROGEN STORAGE; ELECTRONIC-STRUCTURE THEORY; ABSORPTION FINE-STRUCTURE; AMMONIA-BORANE; CATALYZED DEHYDROGENATION; THERMODYNAMIC PROPERTIES; THERMAL-DECOMPOSITION; RELEASE; RHODIUM; ADDUCTS AB X-ray absorption fine structure (XAFS) is used to determine the structure of the rhodium cluster present during the catalyzed dehydrocoupling of amine boranes under operando conditions. We show how a variety of XAFS strategies can be used in combination with other analytical methods to differentiate homogeneous from heterogeneous systems. Analysis of the in situ XAFS spectra using a series of amine boranes (NH3BH3, R2NHBH3, and RNH2BH3 where R = methyl, isopropyl, ted-butyl, and cyclohexyl) and rhodium catalyst precursor compounds (including chloro-(1,5-cyclooctadiene)rhodium (I) dinner, bis(1,5cyclooctacliene)rhodium (I) trifluoromethanesulfonate, chlorodicarbonylrhodium (I) dimer, dichloro(pentamethylcylcopentadienyl)rhodium (III) dimer, hexarhodium hexaclecacarbonyl, and tetrarhodiurn dodecacarbonyl) strongly suggest that the active catalyst species for this reaction is a homogeneous rhodium complex. Rhodium clusters containing four or six rhodium atoms (Rh4-6) bound to amine boranes are observed as the major (> 99%) rhodium containing species during and after the catalyzed anaerobic clehydrocoupling. During the later stages of the reaction a nonmetallic rhodium complex precipitates in which individual Rh4-6 clusters likely form polymer chains ligated by the reaction products that have two or more ligating sites. The best fits of the XAFS data, using ab initio calculations of FEFF theory, show that the major rhodiurn species (80%) has each rhodium atom directly bound to three rhodium atoms with an observed bond distance of 2.73 angstrom and to two boron atoms at 2.10 angstrom. A minor (20%) rhodium species has each rhodiurn atom bound to four rhodium atoms with a bond distance of about 2.73 angstrom and a single rhodiurn atom at a nonbonding distance of 3.88 angstrom. No metallic rhodium was observed at any time during the anaerobic reaction. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. Univ Oregon, Dept Chem, Eugene, OR 97403 USA. RP Fulton, JL (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. RI Chen, Yongsheng/P-4800-2014 NR 39 TC 90 Z9 90 U1 7 U2 50 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0002-7863 J9 J AM CHEM SOC JI J. Am. Chem. Soc. PD OCT 3 PY 2007 VL 129 IS 39 BP 11936 EP 11949 DI 10.1021/ja073331 PG 14 WC Chemistry, Multidisciplinary SC Chemistry GA 216ON UT WOS:000249887700025 PM 17824610 ER PT J AU Enqvist, S Sletten, K Stevens, FJ Hellman, U Westermark, P AF Enqvist, Stina Sletten, Knut Stevens, Fred J. Hellman, Ulf Westermark, Per TI Germ Line Origin and Somatic Mutations Determine the Target Tissues in Systemic AL-Amyloidosis SO PLOS ONE LA English DT Article AB Background. Amyloid is insoluble aggregated proteins deposited in the extra cellular space. About 25 different proteins are known to form amyloid in vivo and are associated with severe diseases such as Alzheimers disease, prion diseases and type-2 diabetes. Light chain (AL) -amyloidosis is unique among amyloid diseases in that the fibril protein, a monoclonal immunoglobulin light chain, varies between individuals and that no two AL-proteins with identical primary structures have been described to date. The variability in tissue distribution of amyloid deposits is considerably larger in systemic AL-amyloidosis than in any other form of amyloidosis. The reason for this variation is believed to be based on the differences in properties of the amyloidogenic immunoglobulin light chain. However, there is presently no known relationship between the structure of an AL-protein and tissue distribution. Methodology/Principal Findings. We compared the pattern of amyloid deposition in four individuals with amyloid protein derived from variable light chain gene O18-O8, the source of a high proportion of amyloidogenic light chains, and in whom all or most of the fibril protein had been determined by amino acid sequencing. In spite of great similarities between the structures of the proteins, there was a pronounced variability in deposition pattern. We also compared the tissue distribution in these four individuals with that of four other patients with AL-amyloid derived from the L2-L16 gene. Although the interindividual variations were pronounced, liver and kidney involvement was much more evident in the latter four. Conclusions/Significance. We conclude that although the use of a specific gene influences the tissue distribution of amyloid, each light chain exhibits one or more determinants of organ-specificity, which originate from somatic mutations and post-translational modifications. Eventual identification of such determinants could lead to improved treatment of patients with AL amyloidosis. C1 [Enqvist, Stina; Westermark, Per] Uppsala Univ, Dept Genet & Pathol, Uppsala, Sweden. [Sletten, Knut] Univ Oslo, Biotechnol Ctr Oslo, Oslo, Norway. [Stevens, Fred J.] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Hellman, Ulf] Ludwig Inst Canc Res, S-75124 Uppsala, Sweden. RP Westermark, P (reprint author), Uppsala Univ, Dept Genet & Pathol, Uppsala, Sweden. EM Per.Westermark@genpat.uu.se FU Research Council of Norway; Swedish Research Council [5941]; European Union FX The work was supported by the Research Council of Norway, the Swedish Research Council (Project No. 5941) and the European Union FP6 Program. NR 42 TC 13 Z9 13 U1 0 U2 1 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 185 BERRY ST, STE 1300, SAN FRANCISCO, CA 94107 USA SN 1932-6203 J9 PLOS ONE JI PLoS One PD OCT 3 PY 2007 VL 2 IS 10 AR e981 DI 10.1371/journal.pone.0000981 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA V10HU UT WOS:000207455900017 PM 17912358 ER PT J AU Pless, JD Garino, TJ Maslar, JE Nenoff, TM AF Pless, Jason D. Garino, Terry J. Maslar, James E. Nenoff, Tina M. TI Tunable conductivity of collapsed sandia octahedral molecular sieves SO CHEMISTRY OF MATERIALS LA English DT Article ID YTTRIA-STABILIZED ZIRCONIA; FUEL-CELLS; SILICOTITANATE PHASE; RAMAN-SPECTROSCOPY; CRYSTAL-CHEMISTRY; SNL-A; PEROVSKITES; NANBO3; OXIDES; TRANSITIONS AB The structure-property relationship between atomic cation substitution and bulk-scale conductivity in perovskites has been studied systematically. A series of Na-Nb perovskites has been synthesized via two methods, (1) ion exchange or (2) synthetic metal doping of microporous Sandia Octahedral Molecular Sieve (SOMS, Na2Nb2-xMxO6-x(OH)(x)center dot H2O, where 0 <= x <= 0.4) phases, followed by calcination to the perovskite phase. We show that the oxygen conductivity can be altered by substitution of the A- and B-site cations in the perovskite structure Na(1-x)A(x)Nb(1-y)M(y)O(3-d), where 0 <= x <= 0.1). Furthermore, we are able to show improved ion conductivity over that of yttria-stabilized zirconia with the Na0.9Mg0.1Nb0.8Ti0.2O3-y phase with our highest conductivity observed (0.176 S/cm) at 1173 K. These fundamental studies allow us to develop perovskites with optimal electric properties. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. NIST, Gaithersburg, MD 20899 USA. RP Nenoff, TM (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM tmnenof@sandia.gov NR 38 TC 4 Z9 5 U1 1 U2 2 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 OCT 2 PY 2007 VL 19 IS 20 BP 4855 EP 4863 DI 10.1021/cm071122u PG 9 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 216IK UT WOS:000249871500004 ER PT J AU Leonardi, R Zhang, YM Lykidis, A Rock, CO Jackowski, S AF Leonardi, Roberta Zhang, Yong-Mei Lykidis, Athanasios Rock, Charles O. Jackowski, Suzanne TI Localization and regulation of mouse pantothenate kinase 2 SO FEBS LETTERS LA English DT Article DE coenzyme A; pantothenate; pantothenate kinase; mitochondria; pantothenate kinase-associated neurodegeneration; palmitoylcarnitine ID HALLERVORDEN-SPATZ-SYNDROME; COENZYME-A SYNTHESIS; IRON ACCUMULATION; NEURODEGENERATION; PANK2; AZOOSPERMIA AB Coenzyme A (CoA) biosynthesis is initiated by pantothenate kinase (PanK) and CoA levels are controlled through differential expression and feedback regulation of PanK isoforms. PanK2 is a mitochondrial protein in humans, but comparative genomics revealed that acquisition of a mitochondrial targeting signal was limited to primates. Human and mouse PanK2 possessed similar biochemical properties, with inhibition by acetylCoA and activation by palmitoylcarnitine. Mouse PanK2 localized in the cytosol, and the expression of PanK2 was higher in human brain compared to mouse brain. Differences in expression and subcellular localization should be considered in developing a mouse model for human PanK2 deficiency. (c) 2007 Federation of European Biochemical Societies. Published by Elsevier B.V. All rights reserved. C1 St Jude Childrens Hosp, Dept Infect Dis, Memphis, TN 38105 USA. DOE Joint Genome Inst, Genome Biol Program, Walnut Creek, CA 94598 USA. RP Jackowski, S (reprint author), St Jude Childrens Hosp, Dept Infect Dis, 332 N Lauderdale St, Memphis, TN 38105 USA. EM suzannejackowski@stjude.org OI Jackowski, Suzanne/0000-0002-6855-1429 FU NCI NIH HHS [P30 CA021765, CA 21765]; NIGMS NIH HHS [R01 GM062896-05A1, R01 GM062896, GM62896] NR 23 TC 34 Z9 34 U1 1 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0014-5793 J9 FEBS LETT JI FEBS Lett. PD OCT 2 PY 2007 VL 581 IS 24 BP 4639 EP 4644 DI 10.1016/j.febslet.2007.08.056 PG 6 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA 219RS UT WOS:000250102900016 PM 17825826 ER PT J AU Luhmann, JG Zeitlin, C Turner, R Brain, DA Delory, G Lyon, JG Boynton, W AF Luhmann, J. G. Zeitlin, C. Turner, R. Brain, D. A. Delory, G. Lyon, J. G. Boynton, W. TI Solar energetic particles in near-Mars space SO JOURNAL OF GEOPHYSICAL RESEARCH-PLANETS LA English DT Article ID INTERPLANETARY SHOCKS; INSTRUMENT SUITE; MAGNETIC-FIELD; EVENTS; ENVIRONMENT; RADIATION; LUNAR AB [1] The space radiation environment near Mars has taken on new interest due to the resurrection of plans to send humans to explore the red planet. In addition, solar energetic particles represent a possibly significant input of energy to the atmosphere of Mars during major events, with consequences for atmospheric ionization, chemistry, and possibly escape. Measurements of solar events by the MARIE and GRS experiments on Mars Odyssey illustrate how Mars affects the low-Mars-orbit fluxes of these particles, apparently blocking some particles' access to the spacecraft. The extent to which the presence of Mars reduces the fluxes in Mars orbit from their interplanetary values, and the circumstances and geometry of those reductions, is examined using a simple model and some observationally inspired assumptions about the nature of solar energetic particle events. The results suggest how Mars orbiter SEP results can be interpreted, and also how near-Mars fluxes for a particular interplanetary event can be predicted. C1 Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. Lawrence Berkeley Natl Lab, Berkeley, CA USA. ANSER, Arlington, VA USA. Dartmouth Coll, Dept Phys & Astron, Hanover, NH USA. Univ Arizona, Lunar & Planetary Lab, Tucson, AZ 85721 USA. RP Luhmann, JG (reprint author), Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. EM jgluhman@ssl.berkeley.edu NR 17 TC 11 Z9 11 U1 1 U2 2 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 0148-0227 J9 J GEOPHYS RES-PLANET JI J. Geophys. Res.-Planets PD OCT 2 PY 2007 VL 112 IS E10 AR E10001 DI 10.1029/2006JE002886 PG 13 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 218WP UT WOS:000250047000001 ER PT J AU Jiang, HQ Khang, DY Song, JZ Sun, YG Huang, YG Rogers, JA AF Jiang, Hanqing Khang, Dahl-Young Song, Jizhou Sun, Yugang Huang, Yonggang Rogers, John A. TI Finite deformation mechanics in buckled thin films on compliant supports SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE buckling; stiff thin film; compliant substrate; stretchable electronics ID FIELD-EFFECT TRANSISTORS; COMPRESSED ELASTIC FILM; LARGE-AREA; ELASTOMERIC POLYMER; VISCOUS LAYER; SILICON; SKIN; PERFORMANCE; SUBSTRATE; MODULUS AB We present detailed experimental and theoretical studies of the mechanics of thin buckled films on compliant substrates. In particular, accurate measurements of the wavelengths and amplitudes in structures that consist of thin, single-crystal ribbons of silicon covalently bonded to elastomeric substrates of poly(dimethylsiloxane) reveal responses that include wavelengths that change in an approximately linear fashion with strain in the substrate, for all values of strain above the critical strain for buckling. Theoretical reexamination of this system yields analytical models that can explain these and other experimental observations at a quantitative level. We show that the resulting mechanics has many features in common with that of a simple accordion bellows. These results have relevance to the many emerging applications of controlled buckling structures in stretchable electronics, microelectromechanical systems, thin-film metrology, optical devices, and others. C1 Univ Illinois, Beckman Inst, Dept Mat Sci & Engn, Urbana, IL 61801 USA. Univ Illinois, Dept Chem, Urbana, IL 61801 USA. Univ Illinois, Dept Elect & Comp Engn, Urbana, IL 61801 USA. Univ Illinois, Dept Engn Sci & Mech, Urbana, IL 61801 USA. Univ Illinois, Seitz Mat Res Lab, Urbana, IL 61801 USA. Arizona State Univ, Dept Mech & Aerosp Engn, Tempe, AZ 85287 USA. Univ Illinois, Dept Engn Sci & Mech, Urbana, IL 61801 USA. Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. Northwestern Univ, Dept Civil & Environm Engn, Evanston, IL 60208 USA. Northwestern Univ, Dept Mech Engn, Evanston, IL 60208 USA. RP Rogers, JA (reprint author), Univ Illinois, Beckman Inst, Dept Mat Sci & Engn, 1304 W Green St,Room 308, Urbana, IL 61801 USA. EM jrogers@uiuc.edu RI Jiang, Hanqing/B-1810-2008; Song, Jizhou/B-1935-2008; Huang, Yonggang/B-6998-2009; Sun, Yugang /A-3683-2010; Rogers, John /L-2798-2016 OI Jiang, Hanqing/0000-0002-1947-4420; Sun, Yugang /0000-0001-6351-6977; NR 53 TC 273 Z9 281 U1 21 U2 172 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 OCT 2 PY 2007 VL 104 IS 40 BP 15607 EP 15612 DI 10.1073/pnas.0702927104 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 217IX UT WOS:000249942700005 PM 17898178 ER PT J AU Li, Y Carroll, DS Gardner, SN Walsh, MC Vitalis, EA Damon, IK AF Li, Yu Carroll, Darin S. Gardner, Shea N. Walsh, Matthew C. Vitalis, Elizabeth A. Damon, Inger K. TI On the origin of smallpox: Correlating variola phylogenics with historical smallpox records SO PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA LA English DT Article DE evolution; SNPs; variola virus ID VIRUS; POXVIRUS; VIRULENCE; DIVERSITY; EVOLUTION; SURVIVAL; GENOMES; FEVER; POX AB Human disease likely attributable to variola virus (VARV), the etiologic agent of smallpox, has been reported in human populations for >2,000 years. VARV is unique among orthopoxviruses in that it is an exclusively human pathogen. Because VARV has a large, slowly evolving DNA genome, we were able to construct a robust phylogeny of VARV by analyzing concatenated single nucleotide polymorphisms (SNPs) from genome sequences of 47 VARV isolates with broad geographic distributions. Our results show two primary VARV clades, which likely diverged from an ancestral African rodent-borne variola-like virus either approximate to 16,000 or approximate to 68,000 years before present (YBP), depending on which historical records (East Asian or African) are used to calibrate the molecular clock. One primary clade was represented by the Asian VARV major strains, the more clinically severe form of smallpox, which spread from Asia either 400 or 1,600 YBP. Another primary clade included both alastrim minor, a phenotypically mild smallpox described from the American continents, and isolates from West Africa. This clade diverged from an ancestral VARV either 1,400 or 6,300 YBP, and then further diverged into two subclades at least 800 YBP. All of these analyses indicate that the divergence of alastrim and variola major occurred earlier than previously believed. C1 Ctr Dis Control & Prevent, Proxvirus & Rabies Branch, Div Viral & Rickettsial Dis, Natl Ctr Zoonot,Vector Borne & Enter Dis Coordina, Atlanta, GA 30329 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Damon, IK (reprint author), Ctr Dis Control & Prevent, Proxvirus & Rabies Branch, Div Viral & Rickettsial Dis, Natl Ctr Zoonot,Vector Borne & Enter Dis Coordina, Atlanta, GA 30329 USA. EM idamon@cdc.gov NR 41 TC 88 Z9 90 U1 2 U2 17 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 OCT 2 PY 2007 VL 104 IS 40 BP 15787 EP 15792 DI 10.1073/pnas.0609268104 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 217IX UT WOS:000249942700036 PM 17901212 ER PT J AU Black, CT AF Black, Charles T. TI Polymer self-assembly as a novel extension to optical lithography SO ACS NANO LA English DT Editorial Material ID BLOCK-COPOLYMERS; DIBLOCK COPOLYMERS; TEMPLATES; GRAPHOEPITAXY; ALIGNMENT; FILMS AB The extreme technological complexity associated with continued dimensional scaling of the photolithographic patterning process to sub-50 nm dimensions has forced the semiconductor industry to seek increasingly innovative alternative approaches. One unconventional method under preliminary consideration involves using self-assembling block copolymer films as high-resolution patterning materials for defining integrated circuit (IC) elements. While these materials are attractive because of their ability to define nanometer-scale dimensions, their ultimate utility as a viable patterning method remains in question because of issues relating to pattern roughness and defectivity. In this issue, Prof. Paul Nealey and co-workers at the University of Wisconsin present compelling first demonstrations of experimental methods by which polymer self-assembly can generate the pattern elements essential for IC fabrication. C1 Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Black, CT (reprint author), Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. EM ctblack@bnl.gov NR 25 TC 85 Z9 85 U1 4 U2 25 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 J9 ACS NANO JI ACS Nano PD OCT PY 2007 VL 1 IS 3 BP 147 EP 150 DI 10.1021/nn7002663 PG 4 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 248IA UT WOS:000252145100002 PM 19206643 ER PT J AU Prozorov, T Palo, P Wang, L Nilsen-Hamilton, M Jones, D Orr, D Mallapragada, SK Narasimhan, B Canfield, PC Prozorov, R AF Prozorov, Tanya Palo, Pierre Wang, Lijun Nilsen-Hamilton, Marit Jones, DeAnna Orr, Daniel Mallapragada, Surya K. Narasimhan, Balaji Canfield, Paul C. Prozorov, Ruslan TI Cobalt ferrite nanocrystals: Out-performing magnetotactic bacteria SO ACS NANO LA English DT Article DE bioinspired synthesis; biomineralization protein; templating; superparamagnetism; magnetic nanocrystals; cobalt ferrite nanocrystals ID MAGNETIC NANOPARTICLES; AQUEOUS-SOLUTION; BLOCK-COPOLYMER; PLURONIC F127; RELAXATION; ORGANIZATION; FERROFLUIDS; ULTRASOUND; PARTICLES; RADIATION AB Magnetotactic bacteria produce exquisitely ordered chains of uniform magnetite (Fe3O4) nanocrystals, and the use of the bacterial mms6 protein allows for the shape-selective synthesis of Fe3O4 nanocrystals. Cobalt ferrite (CoFe2O4) nanoparticles, on the other hand, are not known to occur in living organisms. Here we report on the use of the recombinant mms6 protein in a templated synthesis of (oFe(2)O(4) nanocrystals in vitro. We have covalently attached the full-length mms6 protein and a synthetic C-terminal domain of mms6 protein to self-assembling polymers in order to template hierarchical CoFe2O4 nanostructures. This new synthesis pathway enables facile room-temperature shape-specific synthesis of complex magnetic crystalline nanomaterials with particle sizes in the range of 40-100 nm that are difficult to produce using conventional techniques. C1 [Prozorov, Tanya; Palo, Pierre; Wang, Lijun; Nilsen-Hamilton, Marit; Jones, DeAnna; Orr, Daniel; Mallapragada, Surya K.; Narasimhan, Balaji; Canfield, Paul C.; Prozorov, Ruslan] Iowa State Univ Sci & Technol, Ames Lab, US Dept Energy, Ames, IA 50011 USA. [Palo, Pierre; Wang, Lijun; Nilsen-Hamilton, Marit] Iowa State Univ, Dept Biochem Biophys & Mol Biol, Ames, IA 50011 USA. [Orr, Daniel; Mallapragada, Surya K.; Narasimhan, Balaji] Iowa State Univ, Dept Chem & Biol Engn, Ames, IA 50011 USA. [Canfield, Paul C.; Prozorov, Ruslan] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. RP Nilsen-Hamilton, M (reprint author), Iowa State Univ Sci & Technol, Ames Lab, US Dept Energy, Ames, IA 50011 USA. EM prozorov@ameslab.gov; marit@iastate.edu; suryakm@iastate.edu; nbalaji@iastate.edu RI Prozorov, Ruslan/A-2487-2008; Mallapragada, Surya/F-9375-2012; Narasimhan, Balaji/A-5487-2008; Canfield, Paul/H-2698-2014 OI Prozorov, Ruslan/0000-0002-8088-6096; Narasimhan, Balaji/0000-0002-7955-5353; NR 40 TC 49 Z9 53 U1 3 U2 40 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 J9 ACS NANO JI ACS Nano PD OCT PY 2007 VL 1 IS 3 BP 228 EP 233 DI 10.1021/nn700194h PG 6 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 248IA UT WOS:000252145100013 PM 19206653 ER PT J AU Tanaka, S Sawaya, MR Kerfeld, CA Yeates, TO AF Tanaka, Shiho Sawaya, Michael R. Kerfeld, Cheryl A. Yeates, Todd O. TI Structure of the RuBisCO chaperone RbcX from Synechocystis sp PCC6803 SO ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY LA English DT Article ID ESCHERICHIA-COLI; UNFOLDED PROTEINS; CRYSTAL-STRUCTURE; PREFOLDIN; ALIGNMENT; BINDING; CARBOXYLASE/OXYGENASE; PRODUCT; GENE AB In some cyanobacteria, the genes for the large and small subunits of the enzyme RuBisCO are separated on the bacterial chromosome by the insertion of a gene coding for a protein designated RbcX, which acts as a chaperone for RuBisCO. A recent structural study [Saschenbrecker et al. (2007), Cell, 129, 1189-1200] has shed light on the mechanism by which RbcX assists RuBisCO assembly. Here, the crystal structure of RbcX from another cyanobacterium, Synechocystis sp. PCC6803, is reported, revealing an unusually long protruding C-terminal helix, as well as a bound polyethylene glycol molecule in the protein substrate-binding site. C1 Univ Calif Los Angeles, Dept Chem & Biochem, Los Angeles, CA 90095 USA. Univ Calif Los Angeles, Inst Genom & Proteom, Los Angeles, CA 90095 USA. DOE Joint Genome Inst, Walnut Creek, CA 94598 USA. Univ Calif Los Angeles, Inst Mol Biol, Los Angeles, CA 90095 USA. RP Yeates, TO (reprint author), Univ Calif Los Angeles, Dept Chem & Biochem, 611 Charles Young Dr E, Los Angeles, CA 90095 USA. EM yeates@mbi.ucla.edu OI Yeates, Todd/0000-0001-5709-9839; Sawaya, Michael/0000-0003-0874-9043 NR 29 TC 11 Z9 11 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 OCT PY 2007 VL 63 BP 1109 EP 1112 DI 10.1107/S090744490704228X PN 10 PG 4 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Biophysics; Crystallography SC Biochemistry & Molecular Biology; Biophysics; Crystallography GA 211XS UT WOS:000249557600010 PM 17881829 ER PT J AU Christianson, AD Bobev, S AF Christianson, Andrew D. Bobev, Svilen TI Pr3InO: re-assessment of the cubic Pr3In structure SO ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE LA English DT Article ID CRYSTAL-STRUCTURE; CA; SR; PB; BA; SN; YB C1 Univ Delaware, Dept Chem & Biochem, Newark, DE 19716 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Calif Irvine, Irvine, CA 92697 USA. RP Bobev, S (reprint author), Univ Delaware, Dept Chem & Biochem, Newark, DE 19716 USA. EM sbobev@chem.udel.edu RI christianson, andrew/A-3277-2016 OI christianson, andrew/0000-0003-3369-5884 NR 15 TC 2 Z9 2 U1 1 U2 9 PU INT UNION CRYSTALLOGRAPHY PI CHESTER PA 2 ABBEY SQ, CHESTER, CH1 2HU, ENGLAND SN 2056-9890 J9 ACTA CRYSTALLOGR E JI Acta Crystallogr. Sect. E.-Struct Rep. Online PD OCT PY 2007 VL 63 BP I184 EP U51 DI 10.1107/S1600536807046727 PN 10 PG 11 WC Crystallography SC Crystallography GA 217KP UT WOS:000249947100005 ER PT J AU Lonardelli, I Gey, N Wenk, HR Humbert, M Vogel, SC Lutterotti, L AF Lonardelli, I. Gey, N. Wenk, H.-R. Humbert, M. Vogel, S. C. Lutterotti, L. TI In situ observation of texture evolution during alpha ->beta and alpha ->beta phase transformations in titanium alloys investigated by neutron diffraction SO ACTA MATERIALIA LA English DT Article DE titanium; texture; phase transformation; variant selection; neutron diffraction ID COMMERCIALLY PURE TITANIUM; PHASE-TRANSFORMATION; MECHANICAL-PROPERTIES; VARIANT SELECTION; COARSENING BEHAVIOR; TOF DIFFRACTOMETER; GRAIN-GROWTH; ALPHA-PHASE; BETA-PHASE; TI-6AL-4V AB Texture changes during recrystallization and the alpha-beta-alpha phase transformation in two titanium alloys were investigated in situ by timeof-flight neutron diffraction by heating in a vacuum furnace to 950 C. In commercially pure titanium, a strong texture memory effect is observed. This effect is a direct consequence of an orientation-selective a, (3 transformation, favoring new orientations produced during nucleation and grain growth. The beta-alpha transformation favors beta orientations with minimal misorientations, resulting in a strong final alpha texture that emphasizes the grain growth component. In Ti-6Al-4V, the texture memory effect is less pronounced. The high-temperature beta texture is obtained by growth of pre-existing beta nuclei. In a similar way, during cooling, the growth of alpha domains is controlled by high-temperature a orientations inherited from the beta grains with Burgers orientation relation. (C) 2007 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. Univ Trent, Dipartimento Ingn Mat & Tecnol Ind, I-38050 Trento, Italy. Univ Metz, LETAM CNRS UMR 7078, LETAM SGMP, F-57045 Metz, France. Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, Los Alamos, NM 87545 USA. RP Wenk, HR (reprint author), Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. EM wenk@berkeley.edu RI Lujan Center, LANL/G-4896-2012; Lutterotti, Luca/E-2426-2014 OI Lutterotti, Luca/0000-0002-0949-8322 NR 36 TC 67 Z9 68 U1 5 U2 51 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 OCT PY 2007 VL 55 IS 17 BP 5718 EP 5727 DI 10.1016/j.actamat.2007.06.017 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 223FS UT WOS:000250355700005 ER PT J AU Safarik, DJ Schwarz, RB AF Safarik, D. J. Schwarz, R. B. TI Elastic constants of amorphous and single-crystal Pd40Cu40P20 SO ACTA MATERIALIA LA English DT Article DE metallic glass; elastic constants; low temperature; resonant ultrasound spectroscopy ID INTERSTITIALCY MODEL; METALLIC-GLASS; CRYSTALLIZATION; LIQUIDS; ALLOYS; HEAT AB We have measured the adiabatic second-order elastic constants of amorphous Pd40Cu40P20 (isotropic, two independent elastic constants) and single-crystal Pd40Cu40P20 (tetragonal, six independent elastic constants) over the range 3.9 < T < 300 K. Below similar to 20 K, the elastic constants of single-crystal Pd40Cu40P20 vary as C(T) = C(0)[1 - bT(2) - d7(4)], which is the same temperature dependence found in metallic elements. In contrast, below similar to 20 K the elastic constants of amorphous Pd40Cu40P20 vary as C(T) = C(0*)[1 - alpha T]. The bulk modulus of amorphous Pd40Cu40P20 is approximately 2'% lower than that of crystalline Pd40Cu40P20, whereas the shear modulus of the glass is 13-36% lower than the four independent shear moduli of the tetragonal crystal. The lower moduli of the glass are best explained by additional atomic displacements, beyond those experienced by the atoms in a crystal, that occur because the atoms in glasses do not occupy centers of symmetry. (C) 2007 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Safarik, DJ (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Mail Stop G755, Los Alamos, NM 87545 USA. EM dsafarik@lanl.gov OI Safarik, Douglas/0000-0001-8648-9377 NR 39 TC 25 Z9 26 U1 0 U2 11 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 OCT PY 2007 VL 55 IS 17 BP 5736 EP 5746 DI 10.1016/j.actamat.2007.06.027 PG 11 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 223FS UT WOS:000250355700007 ER PT J AU Cheng, S Zhao, YH Zhu, YT Ma, E AF Cheng, S. Zhao, Y. H. Zhu, Y. T. Ma, E. TI Optimizing the strength and ductility of fine structured 2024 Al alloy by nano-precipitation SO ACTA MATERIALIA LA English DT Article DE grain refinement; 2024 Al alloy; cryo-rolling; precipitation; tensile ductility ID CU-MG ALLOYS; MECHANICAL-PROPERTIES; TENSILE DUCTILITY; NANOSTRUCTURED METALS; DEFORMATION-BEHAVIOR; ULTRAHIGH-STRENGTH; GRAIN-REFINEMENT; ALUMINUM-ALLOY; OMEGA PHASE; AG ALLOY AB Alloys with grain or subgrain structures refined down to I mu m or below usually have high strength, but often inadequate tensile ductility. Past efforts in improving their ductility have usually led to a sacrifice of strength. We have developed an effective approach in achieving both high strength and high ductility in a 2024 Al alloy. The approach involves solution-treatment to partially dissolve T-phase particles, cryo-rolling to produce a fine-structure containing a high density of dislocations and submicrometer subgrains and aging to generate highly dispersed nano-precipitates. It was found that the remnant T-phase particles made it very effective in accumulating dislocations during cryo-rolling, which in turn promoted the precipitation of nanosized S' precipitates with an interparticle spacing of only 10-20 nm. Such a high density of S' precipitates enabled effective dislocation pinning and accumulation, leading to simultaneous increases in strength, work-hardening ability and ductility. (C) 2007 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Johns Hopkins Univ, Dept Mat Sci & Engn, Baltimore, MD 21218 USA. Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Cheng, S (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM schengl@utk.edu RI Zhu, Yuntian/B-3021-2008; Zhao, Yonghao/A-8521-2009; Ma, En/A-3232-2010; Lujan Center, LANL/G-4896-2012; Cheng, Sheng/D-9153-2013 OI Zhu, Yuntian/0000-0002-5961-7422; Cheng, Sheng/0000-0003-1137-1926 NR 43 TC 171 Z9 179 U1 19 U2 102 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 OCT PY 2007 VL 55 IS 17 BP 5822 EP 5832 DI 10.1016/j.actamat.2007.06.043 PG 11 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 223FS UT WOS:000250355700015 ER PT J AU Morris, JR Xu, M Ye, YY Sordelet, DJ Kramer, MJ AF Morris, J. R. Xu, Min Ye, Y. Y. Sordelet, D. J. Kramer, M. J. TI Theoretical and experimental studies of devitrification pathways in the Zr2Cu1-xPdx metallic glass system SO ACTA MATERIALIA LA English DT Article DE metallic glasses; ab initio electron theory; metastable phases; synchrotron radiation; devitrification ID TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; BINARY ZR-PD; ELECTRONIC-STRUCTURE; QUASI-CRYSTALS; AMORPHOUS-ALLOYS; NANOQUASICRYSTALLINE PHASE; PRIMARY CRYSTALLIZATION; CU; LIQUID AB Using a model amorphous alloy series, Zr2Cu1-xPdx (x = 0, 0.25, 0.5, 0.75 and 1), we demonstrate that ab initio calculations can predict likely metastable phase formation during devitrification by comparing these with time-resolved X-ray scattering studies. All compositions share the same equilibrium C11(b) phase, yet they follow different devitrification pathways. Only x = 0.5 leads to a metastable C16 phase formation. This corresponds precisely to calculations showing the C16 phase is closest in energy to the stable C11(b) phase. The competition is shown to be dominated by electronic structure rather than size effects, with the favored composition for the C16 phase forming a pseudo-gap at the Fermi energy. All Pd-containing compounds devitrify first into a quasicrystal line phase. Zr2Cu1-xPdx compounds based on the NiTi2 O-h(5) structure are higher in energy relative to the C16 and C11(b) structures for all compositions, and the calculations show no increase in stability with Pd concentration. Published by Elsevier Ltd on behalf of Acta Materialia Inc. C1 Iowa State Univ Sci & Technol, Dept Mat Sci & Engn, Ames, IA 50011 USA. Oak Ridge Natl Lab, MS&T Div, Oak Ridge, TN 37831 USA. Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. US DOE, Ames Lab, Mat & Engn Phys Program, Ames, IA 50011 USA. Wuhan Univ, Ctr Anal & Testing, Wuhan 430072, Peoples R China. RP Kramer, MJ (reprint author), Iowa State Univ Sci & Technol, Dept Mat Sci & Engn, Ames, IA 50011 USA. EM mjkramer@ameslab.gov RI Morris, J/I-4452-2012 OI Morris, J/0000-0002-8464-9047 NR 38 TC 10 Z9 10 U1 0 U2 4 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 OCT PY 2007 VL 55 IS 17 BP 5901 EP 5909 DI 10.1016/j.actamat.2007.07.021 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 223FS UT WOS:000250355700022 ER PT J AU Marquis, EA Medlin, DL Leonard, F AF Marquis, Ernmanuelle A. Medlin, Douglas L. Leonard, Francois TI Stabilization of extended stacking faults by {111}/{112} twin junction interactions SO ACTA MATERIALIA LA English DT Article DE grain boundary; stacking fault; dislocation; junction; twin boundary ID GRAIN-BOUNDARY STRUCTURES; NANOCRYSTALLINE METALS; RATE SENSITIVITY; ALUMINUM; DEFORMATION; COPPER; DISLOCATIONS; DEFECTS; STRENGTH; SURFACES AB Extended stacking faults, with lengths of up to 10 nm, that join {1 1 1}/{1 1 2} twin-boundary junctions were observed by high-resolution transmission electron microscopy (HRTEM) in gold thin films. Circuit analysis shows that these defects possess a Burgers vector of 1/3 < 1 1 1 >. In order to explain the generation of these extended defects, we consider the behavior of 1/3 < 1 1 1 > dislocations at {1 1 1}- and {1 1 2)-type twin boundaries and near {1 1 1}/{1 1 2} twin-boundary junctions using HRTEM observations and theoretical modeling. By establishing the interaction forces that lead to this defect configuration, our analysis shows that the relief of intrinsic strain at the junction corners, which results from the incompatibility of the translation states at the intersecting boundaries, is sufficient to stabilize the stacking fault extension. Because grain-boundary junctions possess intrinsic strain fields whenever they join boundaries with incompatible translation states, similar mechanisms for stacking fault emission may arise between other closely spaced grain-boundary junctions. (C) 2007 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Sandia Natl Labs, Dept Phys Mat, Livermore, CA 94551 USA. RP Marquis, EA (reprint author), Univ Oxford, Dept Mat, Parks Rd, Oxford OX1 3PH, England. EM emmanuelle.marquis@materials.ox.ac.uk RI Marquis, Emmanuelle/O-5647-2014 OI Marquis, Emmanuelle/0000-0002-6476-2835 NR 43 TC 10 Z9 10 U1 2 U2 16 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 OCT PY 2007 VL 55 IS 17 BP 5917 EP 5923 DI 10.1016/j.actamat.2007.07.003 PG 7 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 223FS UT WOS:000250355700024 ER PT J AU Buonassisi, T Heuer, M Istratov, AA Pickett, MD Marcus, MA Lai, B Cai, Z Heald, SM Weber, ER AF Buonassisi, T. Heuer, M. Istratov, A. A. Pickett, M. D. Marcus, M. A. Lai, B. Cai, Z. Heald, S. M. Weber, E. R. TI Transition metal co-precipitation mechanisms in silicon SO ACTA MATERIALIA LA English DT Article DE defect engineering; precipitation; intermetallics; multicrystalline silicon; photovoltaics ID MULTICRYSTALLINE SILICON; SOLAR-CELLS; IRON CONTAMINATION; DIFFUSION LENGTH; IMPACT; IMPURITIES; ADDITIONS; WAFERS; DEFECT; STATE AB Formation mechanisms of precipitates containing multiple-metal species in silicon are elucidated by nano-scale morphology and phase investigations performed by synchrotron-based X-ray microprobe techniques. Precipitates formed at low (655 degrees C and high (1200 degrees C+) temperatures exhibit distinguishing features indicative of unique formation mechanisms. After lower-ternperature annealing, co-localized single-metal silicide phases are observed, consistent with classical models predicting that dissolved, supersaturated metal atoms will precipitate into solid second-phase particles. Precise precipitate morphologies are found to depend on the local crystallographic environment. In precipitates formed during slow cooling from higher-temperature anneals, nano-scale phase separation and intermetallic phases are evident, suggestive of a high-temperature transition through a liquid phase. Based on experimental results and phase diagram information, it is proposed that under certain conditions, liquid metal-silicon droplets may form within the silicon matrix, possibly with the potential to getter additional metal atoms via liquid-solid segregation. (c) 2007 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 BerlinSolar GmbH, D-12489 Berlin, Germany. Siltronic Corp, Portland, OR 97210 USA. Hewlett Packard Lab, Palo Alto, CA 94304 USA. Fraunhofer Inst Solar Energy Syst, D-79110 Freiburg, Germany. Univ Calif Berkeley, Dept Mat Sci & Engn, Lawrence Berkeley Nat Lab, Berkeley, CA 94720 USA. Lawrence Berkeley Nat Lab, Adv Light Source, Berkeley, CA 94720 USA. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Buonassisi, T (reprint author), MIT, 77 Massachusetts Ave, Cambridge, MA 02139 USA. EM buonassisi@alumni.nd.edu RI Buonassisi, Tonio/J-2723-2012 NR 55 TC 31 Z9 34 U1 0 U2 26 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 OCT PY 2007 VL 55 IS 18 BP 6119 EP 6126 DI 10.1016/j.actamat.2007.07.030 PG 8 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 230PQ UT WOS:000250888800008 ER PT J AU Robertson, SW Mehta, A Pelton, AR Ritchie, RO AF Robertson, S. W. Mehta, A. Pelton, A. R. Ritchie, R. O. TI Evolution of crack-tip transformation zones in superelastic Nitinol subjected to in situ fatigue: A fracture mechanics and synchrotron X-ray microdiffraction analysis SO ACTA MATERIALIA LA English DT Article DE nitinol; fatigue; crack growth; synchrotron X-rays; microdiffraction ID SHAPE-MEMORY ALLOYS; ENDOVASCULAR STENTS; MARTENSITIC-TRANSFORMATION; AUSTENITIC NITINOL; SINGLE-CRYSTALS; DIFFRACTION; GROWTH; BEHAVIOR; NI; RADIATION AB The ultrahigh spatial resolution (similar to 1 mu m(2)) of synchrotron X-ray microdiffraction is combined with fracture mechanics techniques to directly measure in situ three-dimensional strains, phases and crystallographic alignment ahead of a growing fatigue crack (100 cycles in situ) in superelastic Nitinol. The results provide some surprising insights into the growth of cracks in phase-transforming material at the microscale. Specifically, despite a macroscopic superelastic strain recovery of 6-8% associated with the phase transformation, individual austenite grains experience local strains of less than 1.5%. This observation indicates that it is the localized process of the accommodation of the transformation and subsequent loading of the martensite that provide the main source of the large recoverable strains. Furthermore, the plastic region ahead of the crack is composed of deformed martensite. This micromechanical transformation process is dependent upon the material texture, and directly influences the transformation zone size/shape as well as the crack path. (c) 2007 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. Nitinol Devices & Components, Fremont, CA 94539 USA. RP Ritchie, RO (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. EM RORitchie@lbl.gov RI Ritchie, Robert/A-8066-2008 OI Ritchie, Robert/0000-0002-0501-6998 NR 37 TC 71 Z9 71 U1 2 U2 28 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 OCT PY 2007 VL 55 IS 18 BP 6198 EP 6207 DI 10.1016/j.actamat.2007.07.028 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 230PQ UT WOS:000250888800018 ER PT J AU Dougherty, LM Cerreta, EK Pfeif, EA Trujillo, CP Gray, GT AF Dougherty, Lisa M. Cerreta, Ellen K. Pfeif, Erik A. Trujillo, Carl P. Gray, George T., III TI The impact of peak shock stress on the microstructure and shear behavior of 1018 steel SO ACTA MATERIALIA LA English DT Article DE electron backscattering diffraction (EBSD); transmission electron microscopy (TEM); ferritic steels; shear bands; impact behavior ID L AUSTENITIC STAINLESS; STRUCTURE/PROPERTY BEHAVIOR; BAND FORMATION; MECHANICAL-BEHAVIOR; PLASTIC INSTABILITY; ALPHA-TITANIUM; STRAIN RATES; PART I; STEEL; LOCALIZATION AB As-received and shock-prestrained 1018 steel specimens were subjected to forced shear experiments in a split-Hopkinson pressure bar (SHPB) at room temperature and a strain rate of 3800 s(-1) to determine the influence of shock-prestraining on the shear behavior of ferrite. Shock-loading was performed below (12.5 GPa) and above (14 GPa) the pressure-induced epsilon phase transition occurring at 13 GPa. Using electron microscopy and electron backscatter diffraction, twinning and microbanding were observed only in the shock-prestrained specimens. Quasi-static compression tests showed an increase in yield and compressive strengths with increased peak shock stress. SHPB tests produced shear localization in all specimens, with shear banding occurring only in the shock-prestrained specimens. Transmission electron microscopy revealed that, at the shear band edge, elongated cells dominate the microstructure, with more shock-induced twins remaining intact in the 12.5 GPa specimen than in the 14 GPa specimen. Published by Elsevier Ltd on behalf of Acta Materialia Inc. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Dougherty, LM (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM lmdough@lanl.gov NR 47 TC 11 Z9 11 U1 2 U2 12 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 OCT PY 2007 VL 55 IS 18 BP 6356 EP 6364 DI 10.1016/j.actamat.2007.07.051 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 230PQ UT WOS:000250888800034 ER PT J AU Allison, TC Miller, AK Inman, DJ AF Allison, Timothy C. Miller, A. Keith Inman, Daniel J. TI Free-response simulation via the proper orthogonal decomposition SO AIAA JOURNAL LA English DT Article; Proceedings Paper CT AIAA/ASME/ASCE/AHS/ASC 48th Structures, Structural Dynamics, and Materials Conference CY APR 23-26, 2007 CL Honolulu, HI SP AIAA, ASME, ASCE, AHS, ASC ID PRINCIPAL COMPONENT ANALYSIS; MECHANICAL SYSTEMS; SENSOR VALIDATION; REDUCTION; DYNAMICS; MODES; TRUSS; FLOWS AB The proper orthogonal decomposition is applied to the response of linear and nonlinear beam models to construct a reduced-order model for predicting the response to various initial conditions without requiring the equations of motion for the structure. The proper orthogonal decomposition is interpreted as a modal sum, and the structural response to an initial condition is expressed as a weighted summation of proper orthogonal modes and corresponding proper orthogonal coordinate histories. A method for calculating the weights of each mode in the response to an altered initial condition is presented. This method is applied to predict the responses of a linear undamped beam model and a damped beam model with a nonlinear spring to various initial displacement and velocity profiles. The results obtained are compared with those from respective finite element models for each beam. C1 Virginia Polytech Inst & State Univ, Ctr Intelligent Mat Syst & Struct, Dept Mech Engn, Blacksburg, VA 24061 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Allison, TC (reprint author), Virginia Polytech Inst & State Univ, Ctr Intelligent Mat Syst & Struct, Dept Mech Engn, 310 Durham Hall,Mail Code 0261, Blacksburg, VA 24061 USA. EM talliso@vt.edu NR 33 TC 1 Z9 1 U1 0 U2 2 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 OCT PY 2007 VL 45 IS 10 BP 2538 EP 2543 DI 10.2514/1.28516 PG 6 WC Engineering, Aerospace SC Engineering GA 223CJ UT WOS:000250346900016 ER PT J AU Benyahia, S Syamlal, M O'Brien, TJ AF Benyahia, Sofiane Syamlal, Madhava O'Brien, Thomas J. TI Study of the ability of multiphase continuum models to predict core-annulus flow SO AICHE JOURNAL LA English DT Article DE particulate flows; computational fluid dynamics (CFD); fluidization; mathematical modeling; turbulence ID GAS-PARTICLE FLOW; KINETIC-THEORY; GRANULAR FLOW; SOLID FLOW; FLUIDIZED-BEDS; BOUNDARY-CONDITIONS; VERTICAL RISERS; SIMULATION; PIPE; DENSE AB We use the well established core-annulus flow regime as a numerical benchmark to evaluate the sensitivity of gas-solids continuum models and boundary conditions to model formalisms and parameters. By using transient, ID, grid-independent numerical solutions, we avoid the use of speculative closure terms and show that the kinetic theory of granular flow (KTGF) is sufficient to model core-annulus regime. That regime arises in the time-average solution as a consequence of the fluctuating motion of regions with high solids concentration. These fluctuations are most sensitive to the gravitational acceleration (g) and granular energy dissipation terms. The fluctuation frequency is alpha root g. The effect of fluctuations is so dominant that decreasing the restitution coefficient (KTGF parameter) actually increases the average granular temperature. The wall boundary conditions for solids momentum and granular energy equations dictate the core-annulus flow regime. They must cause a net dissipation of granular energy at the wall for predicting that regime. (c) 2007 American Institute of Chemical Engineers. C1 Fluent Inc, Morgantown, WV 26505 USA. Natl Energy Technol Lab, Morgantown, WV 26505 USA. RP Benyahia, S (reprint author), Natl Energy Technol Lab, Morgantown, WV 26505 USA. EM sofiane.benyahia@netl.doe.gov NR 47 TC 74 Z9 78 U1 4 U2 27 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0001-1541 J9 AICHE J JI AICHE J. PD OCT PY 2007 VL 53 IS 10 BP 2549 EP 2568 DI 10.1002/aic.11276 PG 20 WC Engineering, Chemical SC Engineering GA 214RP UT WOS:000249756100006 ER PT J AU Chung, E Lavrik, N Datskos, P Mcfarlane, J Dai, S Tsouris, C AF Chung, Eunhyea Lavrik, Nickolay Datskos, Panos Mcfarlane, Joanna Dai, Sheng Tsouris, Costas TI Microcantilever sensors with chemically selective coatings of ionic liquids SO AICHE JOURNAL LA English DT Article DE micro-electro-mechanical systems; microcantilever sensors; ionic liquid coatings; surface modification ID QUARTZ-CRYSTAL MICROBALANCE; SOLUBILITY; EXTRACTION C1 Georgia Inst Technol, Sch Civil & Environm Engn, Atlanta, GA 30332 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Tsouris, C (reprint author), Georgia Inst Technol, Sch Civil & Environm Engn, Atlanta, GA 30332 USA. EM tsourisc@omi.gov RI Lavrik, Nickolay/B-5268-2011; Tsouris, Costas/C-2544-2016; Dai, Sheng/K-8411-2015; McFarlane, Joanna/C-5998-2016 OI Lavrik, Nickolay/0000-0002-9543-5634; Tsouris, Costas/0000-0002-0522-1027; Dai, Sheng/0000-0002-8046-3931; McFarlane, Joanna/0000-0002-4112-5104 NR 13 TC 3 Z9 3 U1 0 U2 5 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0001-1541 J9 AICHE J JI AICHE J. PD OCT PY 2007 VL 53 IS 10 BP 2726 EP 2731 DI 10.1002/aic.11293 PG 6 WC Engineering, Chemical SC Engineering GA 214RP UT WOS:000249756100021 ER PT J AU Lendvay, TS Sweet, R Han, CH Soygur, T Cheng, JF Plaire, JC Charleston, JS Charleston, LB Bagai, S Cochrane, K Rubio, E Bassuk, JA AF Lendvay, Thomas S. Sweet, Robert Han, Chang-Hee Soygur, Tarkan Cheng, Jan-Fan Plaire, J. Chadwick Charleston, Jay S. Charleston, Lynne B. Bagai, Shelly Cochrane, Kimberly Rubio, Eric Bassuk, James A. TI Compensatory paracrine mechanisms that define the urothelial response to injury in partial bladder outlet obstruction SO AMERICAN JOURNAL OF PHYSIOLOGY-RENAL PHYSIOLOGY LA English DT Article DE transitional epithelium; fibroblast growth factor-7; fibroblast growth factor-10; keratinocyte growth factor; stereology ID KERATINOCYTE GROWTH-FACTOR; UNBIASED STEREOLOGICAL ESTIMATION; SMOOTH-MUSCLE-CELLS; URINARY-BLADDER; EPITHELIAL-CELLS; TOTAL NUMBER; IN-VIVO; FIBROBLAST; PROLIFERATION; EXPRESSION AB Diseases and conditions affecting the lower urinary tract are a leading cause of dysfunctional sexual health, incontinence, infection, and kidney failure. The growth, differentiation, and repair of the bladder's epithelial lining are regulated, in part, by fibroblast growth factor (FGF)-7 and -10 via a paracrine cascade originating in the mesenchyme ( lamina propria) and targeting the receptor for FGF-7 and -10 within the transitional epithelium (urothelium). The FGF-7 gene is located at the 15q15-q21.1 locus on chromosome 15 and four exons generate a 3.852-kb mRNA. Five duplicated FGF-7 gene sequences that localized to chromosome 9 were predicted not to generate functional protein products, thus validating the use of FGF-7-null mice as an experimental model. Recombinant FGF-7 and - 10 induced proliferation of human urothelial cells in vitro and transitional epithelium of wild-type and FGF-7-null mice in vivo. To determine the extent that induction of urothelial cell proliferation during the bladder response to injury is dependent on FGF-7, an animal model of partial bladder outlet obstruction was developed. Unbiased stereology was used to measure the percentage of proliferating urothelial cells between obstructed groups of wild-type and FGF-7-null mice. The stereological analysis indicated that a statistical significant difference did not exist between the two groups, suggesting that FGF-7 is not essential for urothelial cell proliferation in response to partial outlet obstruction. In contrast, a significant increase in FGF-10 expression was observed in the obstructed FGF-7-null group, indicating that the compensatory pathway that functions in this model results in urothelial repair. C1 Seattle Childrens Hosp Res Inst, Program Human Urothelial Biol, Seattle, WA 98105 USA. Univ Washington, Sch Med, Dept Urol, Seattle, WA 98195 USA. Ernst Orlando Lawrence Berkeley Lab, Dept Genome Sci, Berkeley, CA USA. RP Bassuk, JA (reprint author), Seattle Childrens Hosp Res Inst, Program Human Urothelial Biol, 4800 Sand Point Way NE, Seattle, WA 98105 USA. EM james.bassuk@seattlechildrens.org FU NIDDK NIH HHS [1R-01-DK-62251-05] NR 66 TC 4 Z9 5 U1 0 U2 0 PU AMER PHYSIOLOGICAL SOC PI BETHESDA PA 9650 ROCKVILLE PIKE, BETHESDA, MD 20814 USA SN 1931-857X J9 AM J PHYSIOL-RENAL JI Am. J. Physiol.-Renal Physiol. PD OCT PY 2007 VL 293 IS 4 BP F1147 EP F1156 DI 10.1152/ajprenal.00006.2007 PG 10 WC Physiology; Urology & Nephrology SC Physiology; Urology & Nephrology GA 221BE UT WOS:000250201200022 PM 17609292 ER PT J AU Todd, BD Winne, CT Willson, JD Gibbons, JW AF Todd, Brlan D. Winne, Christopher T. Willson, John D. Gibbons, J. Whitfield TI Getting the drift: Examining the effects of timing, trap type and taxon on herpetofaunal drift fence surveys SO AMERICAN MIDLAND NATURALIST LA English DT Article ID POND-BREEDING AMPHIBIANS; ISOLATED WETLAND; SEMINATRIX-PYGAEA; SWAMP SNAKE; DROUGHT; POPULATIONS; ABUNDANCE; RESPONSES; DECLINES; PITFALL AB The evaluation of appropriate sampling methodologies is critical for accurately determining the distribution and status of herpetofaunal populations. We report the results of a year-long drift fence study, using multiple trap types (large pitfall traps, small pitfall traps and funnel traps), of a species-rich herpetofaunal community (59 species) surrounding an isolated wedand in the southeastern United States. Specifically, we determined the effects that timing, trap type and taxon had on capture rates of herpetofauna. We found that funnel traps captured the greatest number of herpetofaunal species, but a combination of funnel traps and large pitfall traps yielded the greatest number of individual captures due to complementary biases in capture efficiencies among herpetofaunal taxa. With little exception, small pitfall traps were relatively ineffective for sampling herpetofauna. We also found that the timing of difference monitoring affected herpetofaunal species accumulation rates but that seasonal effects were taxon-specific. Our study affirms that drift fences are exceptional tools for inventorying and monitoring diverse species and large numbers of herpetofauna and also demonstrates the important effects that season and taxon can have on capture rates. Therefore, we recommend a priori delineation of project goals and the use of multiple trap types with careful attention to the timing of drift fence monitoring to maximize sampling efficiency and minimize biases associated with data collection. C1 Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. RP Todd, BD (reprint author), Univ Georgia, Savannah River Ecol Lab, Drawer E, Aiken, SC 29802 USA. EM todd@srel.edu NR 57 TC 23 Z9 24 U1 2 U2 14 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 OCT PY 2007 VL 158 IS 2 BP 292 EP 305 DI 10.1674/0003-0031(2007)158[292:GTDETE]2.0.CO;2 PG 14 WC Biodiversity Conservation; Ecology SC Biodiversity & Conservation; Environmental Sciences & Ecology GA 226UJ UT WOS:000250613700004 ER PT J AU Page, FZ Ushikubo, T Kita, NT Riciputi, LR Valley, JW AF Page, F. Zeb Ushikubo, T. Kita, N. T. Riciputi, L. R. Valley, J. W. TI High-precision oxygen isotope analysis of picogram samples reveals 2 mu m gradients and slow diffusion in zircon SO AMERICAN MINERALOGIST LA English DT Article DE ion microprobe; SIMS; zircon; diffusion; oxygen isotopes; stable isotopes; granulites facies; migmatites ID SOUTHERN ADIRONDACK HIGHLANDS; NEW-YORK; DETRITAL ZIRCONS; TRACE-ELEMENT; GA ZIRCONS; DIFFERENTIATION; METAMORPHISM; GARNET; ROCKS; TEMPERATURE AB Ion microprobe analysis with a sub-micrometer diameter spot reveals a sharp, 2 mu m gradient in oxygen isotope ratio proving that oxygen diffusion in zircon is slow even under prolonged high-grade metamorphism. The data are consistent with an oxygen diffusion coefficient of 10(-23.5+/-1) cm(2)/s. Furthermore, this gradient is found in a zircon that contains clear textural evidence of recrystallization in nearby regions. This finding shows that through careful textural and chemical analysis, primary information can be extracted from a zircon that has also undergone partial recrystallization. The oxygen isotope ratios found in zircon have been used to infer magmatic and pre-magmatic histories, including the presence of liquid water on the surface of earliest Earth. Recently, these interpretations have been questioned with the assertion that zircon may not retain its primary oxygen isotope signature through metamorphism. The slow diffusion confirmed by these results supports interpretations that assume preservation of magmatic compositions. C1 Univ Wisconsin, Dept Geol & Geophys, Madison, WI 53706 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Ushikubo, T (reprint author), Oberlin Coll, Dept Geol, 52 W Lorain St, Oberlin, OH 44074 USA. EM zeb.page@oberlin.edu RI Valley, John/B-3466-2011; Page, F. Zeb/N-4563-2014; Kita, Noriko/H-8035-2016 OI Valley, John/0000-0003-3530-2722; Page, F. Zeb/0000-0002-2100-0806; Kita, Noriko/0000-0002-0204-0765 NR 31 TC 76 Z9 78 U1 1 U2 14 PU MINERALOGICAL SOC AMER PI CHANTILLY PA 3635 CONCORDE PKWY STE 500, CHANTILLY, VA 20151-1125 USA SN 0003-004X J9 AM MINERAL JI Am. Miner. PD OCT PY 2007 VL 92 IS 10 BP 1772 EP 1775 DI 10.2138/am.2007.2697 PG 4 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 217ST UT WOS:000249968300028 ER PT J AU Kimura, RH Steenblock, ER Camarero, JA AF Kimura, Richard H. Steenblock, Erin R. Camarero, Julio A. TI Development of a cell-based fluorescence resonance energy transfer reporter for Bacillus anthracis lethal factor protease SO ANALYTICAL BIOCHEMISTRY LA English DT Article DE anthrax; FRET-based reporter; cell biosensing; metalloprotease; in vivo screening ID PHASE PEPTIDE-SYNTHESIS; CRYSTAL-STRUCTURE; ESCHERICHIA-COLI; BACTERIAL TOXINS; EUKARYOTIC CELLS; KINASE-KINASE; PROTEINS; BIOSYNTHESIS; INHIBITORS; RECEPTOR AB We report the construction of a cell-based fluorescent reporter for anthrax lethal factor (LF) protease activity using the principle of fluorescence resonance energy transfer (FRET). This was accomplished by engineering an Escherichia coli cell line to express a genetically encoded FRET reporter and LF protease. Both proteins were encoded in two different expression plasmids under the control of different tightly controlled inducible promoters. The FRET-based reporter was designed to contain a LF recognition sequence flanked by the FRET pair formed by CyPet and YPet fluorescent proteins. The length of the linker between both fluorescent proteins was optimized using a flexible peptide linker containing several Gly-Gly-Ser repeats. Our results indicate that this FRET-based LF reporter was readily expressed in E. coli cells showing high levels of FRET in vivo in the absence of LF. The FRET signal, however, decreased five times after inducing LF expression in the same cell. These results suggest that this cell-based LF FRET reporter may be used to screen genetically encoded libraries in vivo against LF. (c) 2007 Elsevier Inc. All rights reserved. C1 Lawrence Livermore Natl Lab, Biosci & Biotechnol Div, Livermore, CA 94550 USA. RP Camarero, JA (reprint author), Lawrence Livermore Natl Lab, Biosci & Biotechnol Div, Livermore, CA 94550 USA. EM camarero1@llnl.gov RI Steenblock, Erin/A-5685-2009; Camarero, Julio/A-9628-2015; OI Steenblock, Erin/0000-0002-2161-5990 NR 49 TC 13 Z9 13 U1 0 U2 8 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0003-2697 J9 ANAL BIOCHEM JI Anal. Biochem. PD OCT 1 PY 2007 VL 369 IS 1 BP 60 EP 70 DI 10.1016/j.ab.2007.05.014 PG 11 WC Biochemical Research Methods; Biochemistry & Molecular Biology; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 210QJ UT WOS:000249470400008 PM 17586456 ER PT J AU Gogolin, AO Konik, RM Ludwig, AWW Saleur, H AF Gogolin, A. O. Konik, R. M. Ludwig, A. W. W. Saleur, Hubert TI Counting statistics for the Anderson impurity model: Bethe ansatz and Fermi liquid study SO ANNALEN DER PHYSIK LA English DT Article DE Anderson impurity model; full counting statistics; Bethe ansatz ID SINGLE-ELECTRON TRANSISTOR; LOW-TEMPERATURE TRANSPORT; QUANTUM-DOT; SHOT-NOISE; EXACT EXPRESSION; GROUND-STATE; KONDO; EQUILIBRIUM; TRANSMISSION; CONDUCTORS AB We study the counting statistics of charge transport in the Anderson impurity model (AIM) employing both Keldysh perturbation theory in a Fermi liquid picture and the Bethe ansatz. In the Fermi liquid approach, the object of our principal interest is the generating function for the cumulants of the charge current distribution. We derive an exact analytic formula relating the full counting statistic (FCS) generating function to the self-energy of the system in the presence of a measuring field. We first check that our approach reproduces correctly known results in simple limits, like the FCS of the resonant level system (AIM without Coulomb interaction). We then proceed to study the FCS for the AIM perturbatively in the Coulomb interaction. By comparing this perturbative analysis with a strong coupling expansion, we arrive at a conjecture for an expression for the FCS generating function at O(V(3)) (V is the voltage across the impurity) valid at all orders in the interaction. In the second part of the article, we examine a Bethe ansatz analysis of the current noise for the AIM. Unlike the Fermi liquid approach, here the goal is to obtain qualitative, not quantitative, results for a wider range of voltages both in and out of a magnetic field. Particularly notable are finite field results showing a double peaked structure in the current noise for voltages satisfying eV similar to mu(B)H. This double peaked structure is the "smoking gun" of Kondo physics in the current noise and is directly analogous to the single peak structure predicted in the differential conductance of the AIM. (C) 2007 WILEY-VCH Verlag GmbH & Co. KGaA. Weinheim. C1 CEA Saclay, Serv Phys Theor, F-91191 Gif Sur Yvette, France. Univ London Imperial Coll Sci Technol & Med, Dept Math, London SW7 2AZ, England. Brookhaven Natl Lab, CMPMS Dept, Upton, NY 11973 USA. Univ Calif Santa Barbara, Dept Phys, Santa Barbara, CA 93106 USA. Univ So Calif, Dept Phys, Los Angeles, CA 90089 USA. RP Saleur, H (reprint author), CEA Saclay, Serv Phys Theor, F-91191 Gif Sur Yvette, France. EM hubert.saleur@cea.fr RI Konik, Robert/L-8076-2016 OI Konik, Robert/0000-0003-1209-6890 NR 55 TC 10 Z9 10 U1 0 U2 1 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA PO BOX 10 11 61, D-69451 WEINHEIM, GERMANY SN 0003-3804 J9 ANN PHYS-BERLIN JI Ann. Phys.-Berlin PD OCT-NOV PY 2007 VL 16 IS 10-11 BP 678 EP 701 DI 10.1002/andp.200710262 PG 24 WC Physics, Multidisciplinary SC Physics GA 228MN UT WOS:000250734100004 ER PT J AU Lynch, SV Dixon, L Benoit, MR Brodie, EL Keyhan, M Hu, P Ackerley, DF Andersen, GL Matin, A AF Lynch, S. V. Dixon, L. Benoit, M. R. Brodie, E. L. Keyhan, M. Hu, P. Ackerley, D. F. Andersen, G. L. Matin, A. TI Role of the rapA gene in controlling antibiotic resistance of Escherichia coli biofilms SO ANTIMICROBIAL AGENTS AND CHEMOTHERAPY LA English DT Article ID PSEUDOMONAS-AERUGINOSA BIOFILMS; INTRACELLULAR BACTERIAL COMMUNITIES; POLYMERASE-ASSOCIATED PROTEIN; URINARY-TRACT; EXPRESSION; PATHOGENESIS; PENICILLIN; INDUCTION; SWI2/SNF2; SURFACES AB By using a high-throughput screening method, a mutant of a uropathogenic Escherichia coli strain affected in the rapA gene was isolated. The mutant formed normal-architecture biofilms but showed decreased penicillin G resistance, although the mutation did not affect planktonic cell resistance. Transcriptome analysis showed that 22 genes were down-regulated in the mutant biofilm. One of these genes was yhcQ, which encodes a putative multidrug resistance pump. Mutants with mutations in this gene also formed biofilms with decreased resistance, although the effect was less pronounced than that of the rapA mutation. Thus, an additional mechanism(s) controlled by a rapA-regulated gene(s) was involved in wild-type biofilm resistance. The search for this mechanism was guided by the fact that another down-regulated gene in rapA biofilms, yeeZ, is suspected to be involved in extra cell wall-related functions. A comparison of the biofilm matrix of the wild-type and rapA strains revealed decreased polysaccharide quantities and coverage in the mutant biofilms. Furthermore, the (fluorescent) functional penicillin G hornologue Bocillin Fl, penetrated the mutant biofilms more readily. The results strongly suggest a dual mechanism for the wild-type biofilm penicillin G resistance, retarded penetration, and effective efflux. The results of studies with an E. coli K-12 strain pointed to the same conclusion. Since efflux and penetration can be general resistance mechanisms, tests were conducted with other antibiotics. The rapA biofilm was also more sensitive to norfloxacin, chloramphenicol, and gentamicin. C1 Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. Victoria Univ Wellington, Sch Biol Sci, Wellington, New Zealand. Stanford Univ, Sch Med, Dept Microbiol & Immunol, Stanford, CA 94305 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Dept Ecol, Berkeley, CA 94720 USA. RP Matin, A (reprint author), Univ Calif San Francisco, Sch Med, Dept Anesthesia & Perioperat Care, 513 Parnassus Ave,S261, San Francisco, CA 94143 USA. EM a.matin@stanford.edu RI Lynch, Susan/B-6272-2009; Brodie, Eoin/A-7853-2008; Hu, Ping/G-2384-2015; Andersen, Gary/G-2792-2015; OI Brodie, Eoin/0000-0002-8453-8435; Andersen, Gary/0000-0002-1618-9827; Matin, A. C./0000-0003-4468-980X; Ackerley, David/0000-0002-6188-9902 FU NIAID NIH HHS [T32 AI007328, T32 AI07328]; NIGMS NIH HHS [F32 GM778272] NR 38 TC 40 Z9 43 U1 0 U2 5 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0066-4804 J9 ANTIMICROB AGENTS CH JI Antimicrob. Agents Chemother. PD OCT PY 2007 VL 51 IS 10 BP 3650 EP 3658 DI 10.1128/AAC.00601-07 PG 9 WC Microbiology; Pharmacology & Pharmacy SC Microbiology; Pharmacology & Pharmacy GA 215FX UT WOS:000249794800025 PM 17664315 ER PT J AU Withers, ST Gottlieb, SS Lieu, B Newman, JD Keasling, JD AF Withers, Sydnor T. Gottlieb, Shayin S. Lieu, Bonny Newman, Jack D. Keasling, Jay D. TI Identification of isopentenol biosynthetic genes from Bacillus subtilis by a screening method based on isoprenoid precursor toxicity SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID DEPENDENT PHOSPHOGLYCERATE MUTASE; ESCHERICHIA-COLI; DINOFLAGELLATE SYMBIONT; EXPRESSION; PATHWAY; CYCLASE AB We have developed a novel method to clone terpene synthase genes. This method relies on the inherent toxicity of the prenyl diphosphate precursors to terpenes, which resulted in a reduced-growth phenotype. When these precursors were consumed by a terpene synthase, normal growth was restored. We have demonstrated that this method is capable of enriching a population of engineered Escherichia coli for those clones that express the sesquiterpene-producing amorphadiene synthase. In addition, we enriched a library of genomic DNA from the isoprene-producing bacterium Bacillus subtilis strain 6051 in E. coli engineered to produce elevated levels of isopentenyl diphosphate and dimethylallyl diphosphate. The selection resulted in the discovery of two genes (yhfR and nudF) whose protein products acted directly on the prenyl diphosphate precursors and produced isopentenol. Expression of nudF in E. coli engineered with the mevalonate-based isopentenyl pyrophosphate biosynthetic pathway resulted in the production of isopentenol. C1 Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. Amyris Biotechnol, Emeryville, CA USA. Lawrence Berkeley Natl Lab, Phys Biosci Div, Synthet Biol Dept, Berkeley, CA USA. Univ Calif Berkeley, Calif Inst Quantitat Biomed Res QB3, Berkeley, CA 94720 USA. RP Keasling, JD (reprint author), Univ Calif Berkeley, Berkeley Ctr Synthet Biol, 717 Potter St, Bldg 977,Mail code 3224, Berkeley, CA 94720 USA. EM keasling@berkeley.edu RI Keasling, Jay/J-9162-2012 OI Keasling, Jay/0000-0003-4170-6088 NR 20 TC 91 Z9 97 U1 4 U2 26 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD OCT PY 2007 VL 73 IS 19 BP 6277 EP 6283 DI 10.1128/AEM.00861-07 PG 7 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 217TA UT WOS:000249969000037 PM 17693564 ER PT J AU Boyd, ES Jackson, RA Encarnacion, G Zahn, JA Beard, T Leavitt, WD Pi, Y Zhang, CL Pearson, A Geesey, GG AF Boyd, Eric S. Jackson, Robert A. Encarnacion, Gem Zahn, James A. Beard, Trevor Leavitt, William D. Pi, Yundan Zhang, Chuanlun L. Pearson, Ann Geesey, Gill G. TI Isolation, characterization, and ecology of sulfur-respiring Crenarchaea inhabiting acid-sulfate-chloride-containing geothermal springs in yellowstone national park SO APPLIED AND ENVIRONMENTAL MICROBIOLOGY LA English DT Article ID 16S RIBOSOMAL-RNA; SP-NOV; GEN. NOV.; THERMOACIDOPHILIC ARCHAEON; HYPERTHERMOPHILIC ARCHAEA; MICROBIAL COMMUNITY; ELEMENTAL SULFUR; ETHER LIPIDS; HOT VENTS; SP. NOV. AB Elemental sulfur (S-0) is associated with many geochemically diverse hot springs, yet little is known about the phylogeny, physiology, and ecology of the organisms involved in its cycling. Here we report the isolation, characterization, and ecology of two novel, S-o-reducing Crenarchaea from an acid geothermal spring referred to as Dragon Spring. Isolate 18U65 grows optimally at 70 to 72 degrees C and at pH 2.5 to 3.0, while isolate 18D70 grows optimally at 81 degrees C and pH 3.0. Both isolates are chemoorganotrophs, dependent on complex peptide-containing carbon sources, S', and anaerobic conditions for respiration-dependent growth. Glycerol dialkyl glycerol tetraethers (GDGTs) containing four to six cyclopentyl rings were present in the lipid fraction of isolates 18U65 and 18D70. Physiological characterization suggests that the isolates are adapted to the physicochemical conditions of Dragon Spring and can utilize the natural organic matter in the spring as a carbon and energy source. Quantitative PCR analysis of 16S rRNA genes associated with the S-o flocs recovered from several acid geothermal springs using isolate-specific primers indicates that these two populations together represent 17 to 37% of the floc-associated DNA. The physiological characteristics of isolates 18U65 and 18D70 are consistent with their potential widespread distribution and putative role in the cycling of sulfur in acid geothermal springs throughout the Yellowstone National Park geothermal complex. Based on phenotypic and genetic characterization, the designations Caldisphaera draconis sp. nov. and Acidilobus sulfurireducens sp. nov. are proposed for isolates 18U65 and 18D70, respectively. C1 Montana State Univ, Dept Microbiol, Bozeman, MT 59717 USA. DowAgro Sci, Indianapolis, IN 46268 USA. Harvard Univ, Sch Med, Dept Earth & Planetary Sci, Cambridge, MA 02138 USA. Savannah River Ecol Lab, Aiken, SC 29802 USA. RP Boyd, ES (reprint author), Montana State Univ, Dept Microbiol, Bozeman, MT 59717 USA. EM eboyd@montana.edu RI Pearson, Ann/A-6723-2009; Leavitt, William/F-1346-2010 NR 51 TC 49 Z9 49 U1 0 U2 12 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0099-2240 J9 APPL ENVIRON MICROB JI Appl. Environ. Microbiol. PD OCT PY 2007 VL 73 IS 20 BP 6669 EP 6677 DI 10.1128/AEM.01321-07 PG 9 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 221SU UT WOS:000250248400041 PM 17720836 ER PT J AU McDonald, DB Grantham, WJ Tabor, WL Murphy, MJ AF McDonald, Dale B. Grantham, Walter J. Tabor, Wayne L. Murphy, Michael J. TI Global and local optimization using radial basis function response surface models SO APPLIED MATHEMATICAL MODELLING LA English DT Article AB The focus of this paper is the optimization of complex multi-parameter systems. We consider systems in which the objective function is not known explicitly, and can only be evaluated through computationally intensive numerical simulation or through costly physical experiments. The objective function may also contain many local extrema which may be of interest. Given objective function values at a scattered set of parameter values, we develop a response surface model that can dramatically reduce the required computation time for parameter optimization runs. The response surface model is developed using radial basis functions, producing a model whose objective function values match those of the original system at all sampled data points. Interpolation to any other point is easily accomplished and generates a model which represents the system over the entire parameter space. This paper presents the details of the use of radial basis functions to transform scattered data points, obtained from a complex continuum mechanics simulation of explosive materials, into a response surface model of a function over the given parameter space. Response surface methodology and radial basis functions are discussed in general and are applied to a global optimization problem for an explosive oil well penetrator. (c) 2006 Elsevier Inc. All rights reserved. C1 Washington State Univ, Sch Mech & Mat Engn, Pullman, WA 99164 USA. Marshall Univ, Dept Math, Huntington, WV 25755 USA. Lawrence Livermore Natl Lab, Energet Mat Ctr, Livermore, CA 94550 USA. RP McDonald, DB (reprint author), Washington State Univ, Sch Mech & Mat Engn, POB 99164-2920, Pullman, WA 99164 USA. EM yukonjack@wsu.edu NR 11 TC 27 Z9 35 U1 0 U2 7 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 0307-904X J9 APPL MATH MODEL JI Appl. Math. Model. PD OCT PY 2007 VL 31 IS 10 BP 2095 EP 2110 DI 10.1016/j.apm.2006.08.008 PG 16 WC Engineering, Multidisciplinary; Mathematics, Interdisciplinary Applications; Mechanics SC Engineering; Mathematics; Mechanics GA 187SF UT WOS:000247868100004 ER PT J AU Littrell, R Hall, NA Okandan, M Olsson, R Serkland, D AF Littrell, Robert Hall, Neal A. Okandan, Murat Olsson, Roy Serkland, Darwin TI Impact of relative intensity noise of vertical-cavity surface-emitting lasers on optics-based micromachined audio and seismic sensors SO APPLIED OPTICS LA English DT Article ID ACOUSTIC SENSOR; MICROPHONE AB The relative intensity noise of vertical-cavity surface-emitting lasers (VCSELs) in the 100 mHz to 50 kHz frequency range is experimentally investigated using two representative single-mode VCSELs. Measurements in this frequency range are relevant to recently developed optical-based micromachined acoustic and accelerometer sensing structures that utilize VCSELs as the light source to form nearly monolithic 1 mm(3) packages. Although this frequency regime is far lower than the gigahertz range relevant to optical communication applications for which VCSELs are primarily designed, the intensity noise is found to be low and well within the range of cancellation using basic reference detection principles. (c) 2007 Optical Society of America. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Littrell, R (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM rlittrel@umich.edu NR 17 TC 6 Z9 6 U1 2 U2 3 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 OCT 1 PY 2007 VL 46 IS 28 BP 6907 EP 6911 DI 10.1364/AO.46.006907 PG 5 WC Optics SC Optics GA 226DA UT WOS:000250566200009 PM 17906717 ER PT J AU Exarhos, GJ Windisch, CF Ferris, KF Owings, RR AF Exarhos, G. J. Windisch, C. F., Jr. Ferris, K. F. Owings, R. R. TI Cation defects and conductivity in transparent oxides SO APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING LA English DT Article ID PULSED-LASER DEPOSITION; NICKEL COBALT OXIDES; THIN-FILMS; ELECTRICAL-CONDUCTIVITY; ELECTRONIC-STRUCTURE; HIGH-TEMPERATURE; SPINEL FILMS; ZNO FILMS; DISORDER; POLARON AB High quality doped zinc oxide and mixed transition metal spinel oxide films have been deposited by means of sputter deposition from metal and metal oxide targets, and by spin casting from aqueous or alcoholic precursor solutions. Deposition conditions and post-deposition processing are found to alter cation oxidation states and their distributions in both oxide materials resulting in marked changes to both optical transmission and electrical response. For ZnO, partial reduction of the neat or doped material by hydrogen treatment of the heated film or by electrochemical processing renders the oxide n-type conducting. Continued reduction was found to diminish conductivity. In contrast, oxidation of the infrared transparent p-type spinel conductors typified by NiCo2O4 was found to increase conductivity. The disparate behavior of these two materials is caused, in part, by the sign of the charge carrier and by the existence of two different charge transport mechanisms that are identified as free carrier conduction and polaron hopping. While much work has been reported concerning structure/property relationships in the free carrier conducting oxides, there is a significantly smaller body of information on transparent polaron conductors. In this paper, we identify key parameters that promote conductivity in mixed metal spinel oxides and compare their behavior with that of the free carrier TCO's. C1 Pacific NW Natl Lab, Richland, WA 99354 USA. Appl Mat Inc, Boise, ID 83704 USA. RP Exarhos, GJ (reprint author), Pacific NW Natl Lab, POB 999,MS k8-93, Richland, WA 99354 USA. EM greg.exarhos@pnl.gov NR 41 TC 8 Z9 8 U1 6 U2 49 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0947-8396 J9 APPL PHYS A-MATER JI Appl. Phys. A-Mater. Sci. Process. PD OCT PY 2007 VL 89 IS 1 BP 9 EP 18 DI 10.1007/s00339-007-4040-7 PG 10 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 201KP UT WOS:000248830500002 ER PT J AU Perry, DL Wilkinson, TJ AF Perry, D. L. Wilkinson, T. J. TI Synthesis of high-purity alpha- and beta-PbO and possible applications to synthesis and processing of other lead oxide materials SO APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING LA English DT Article ID THERMAL-DECOMPOSITION; PHASE-TRANSFORMATIONS; HIGH-PRESSURE; SURFACES; PB3O4; LAYER AB Litharge, the red tetragonal form of lead oxide alpha-PbO and massicot, the yellow orthorhombic form beta-PbO, are synthesized from lead(II) salts in aqueous media at elevated temperatures. Scanning electron microscopy (SEM) and X-ray diffraction (XRD) were used to characterize the size, morphology, and crystallographic structural forms of the products. The role of impurities in the experimental synthesis of the materials and microstructural variations in the final products are described. The implications of these observations regarding the synthesis of different conducting lead oxides and other related materials are discussed. C1 Univ Calif Berkeley, Sensors Grp, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Perry, DL (reprint author), Univ Calif Berkeley, Sensors Grp, Lawrence Berkeley Natl Lab, MS 70A1150, Berkeley, CA 94720 USA. EM dlperry@lbl.gov NR 18 TC 8 Z9 9 U1 4 U2 18 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 0947-8396 J9 APPL PHYS A-MATER JI Appl. Phys. A-Mater. Sci. Process. PD OCT PY 2007 VL 89 IS 1 BP 77 EP 80 DI 10.1007/s00339-007-4073-y PG 4 WC Materials Science, Multidisciplinary; Physics, Applied SC Materials Science; Physics GA 201KP UT WOS:000248830500011 ER PT J AU Chen, TY Chien, CL Petrovic, C AF Chen, T. Y. Chien, C. L. Petrovic, C. TI Enhanced Curie temperature and spin polarization in Mn4FeGe3 SO APPLIED PHYSICS LETTERS LA English DT Article ID FERROMAGNETIC MN5GE3; ANDREEV REFLECTION; POINT-CONTACT; INJECTION; METAL; SEMICONDUCTOR; SPINTRONICS AB Intermetallic ferromagnetic compound Mn5Ge3, with Curie temperature T-C=296 K, a spin polarization of P=42%, and a good lattice match to semiconductors, is a potential spin injector for spintronics. We report the enhanced magnetic properties and spin polarization of Mn4FeGe3. By replacing one Mn atom in Mn5Ge3 with Fe, the T-C of Mn4FeGe3 has been enhanced to 319.50 K, while still maintaining the same crystal structure, high electrical conductivity, and a high residual resistivity ratio of 5.33. More importantly, the spin polarization in excess of 60% of Mn4FeGe3, much higher than that of Mn5Ge3, has been realized. (C) 2007 American Institute of Physics. C1 Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. Brookhaven Natl Lab, Dept Mat Sci, Upton, NY 11973 USA. RP Chen, TY (reprint author), Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. EM tingyong@pha.jhu.edu RI Petrovic, Cedomir/A-8789-2009 OI Petrovic, Cedomir/0000-0001-6063-1881 NR 23 TC 20 Z9 20 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 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD OCT 1 PY 2007 VL 91 IS 14 AR 142505 DI 10.1063/1.2794425 PG 3 WC Physics, Applied SC Physics GA 217UZ UT WOS:000249974100073 ER PT J AU Gao, PX Liu, J Buchine, BA Weintraub, B Wang, ZL Lee, JL AF Gao, Pu-Xian Liu, Jin Buchine, Brent A. Weintraub, Benjamin Wang, Z. L. Lee, J. L. TI Bridged ZnO nanowires across trenched electrodes SO APPLIED PHYSICS LETTERS LA English DT Article ID NANOBRIDGE DEVICES; SI SUBSTRATE; NANOSTRUCTURES; INTEGRATION; GROWTH AB Using a hydrothermal synthesis approach, large scale and laterally bridged nanowires have been grown across trenched Au/Si, Au/SiO2/Si, and ZnO/Si electrodes. This technique shows a low temperature (80 degrees C) approach for growing ZnO nanowires on a prepatterned substrate, showing its potential for integrating with silicon based technology. The I-V characteristics of the nanowires have been measured and their nonlinear behavior has been analyzed. It is suggested that the nonlinear behavior might be due to the dominant phonon scattering and the impurity involved grain boundaries in the multinanowire bridges. The bridged nanowire arrays could be useful for fabricating gas, chemical, or biochemical nanosensor arrays. (C) 2007 American Institute of Physics. C1 Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA. Sandia Natl Labs, Livermore, CA 94551 USA. RP Wang, ZL (reprint author), Georgia Inst Technol, Sch Mat Sci & Engn, Atlanta, GA 30332 USA. EM zhong.wang@mse.gatech.edu RI Gao, Puxian/E-1461-2011; Wang, Zhong Lin/E-2176-2011 OI Wang, Zhong Lin/0000-0002-5530-0380 NR 16 TC 22 Z9 24 U1 2 U2 22 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD OCT 1 PY 2007 VL 91 IS 14 AR 142108 DI 10.1063/1.2794417 PG 3 WC Physics, Applied SC Physics GA 217UZ UT WOS:000249974100054 ER PT J AU Lee, JS Kang, BS Jia, QX AF Lee, Jang-Sik Kang, B. S. Jia, Q. X. TI Data retention characteristics of Bi3.25La0.75Ti3O12 thin films on conductive SrRuO3 electrodes SO APPLIED PHYSICS LETTERS LA English DT Article ID HYDROGEN-INDUCED DEGRADATION; POLARIZATION RETENTION; CAPACITORS; NANOSCALE; MEMORIES; TITANATE; CRYSTAL; IRO2 AB Ferroelectric Bi3.25La0.75Ti3O12 (BLT) thin films were deposited on SrRuO3 (SRO) and Pt electrodes by pulsed laser deposition. The data retention characteristics of the BLT films on different electrode materials were characterized. The experimental results are well fitted by a stretched exponential decay model, indicating that BLT films on both Pt and SRO exhibit the similar decay mechanisms. However, the decay behavior is quite different due to the use of different bottom electrodes. The superior data retention performance of BLT film on conductive SRO electrode is believed to be from the reduction of domain polarization backswitching originated from the oxygen vacancies in the depletion region of BLT films. (c) 2007 American Institute of Physics. C1 Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. RP Lee, JS (reprint author), Kookmin Univ, Sch Adv Mat Engn, Seoul 136702, South Korea. EM jangsik@kookmin.ac.kr; qxjia@lanl.gov RI Lee, Jang-Sik/A-6629-2008; Jia, Q. X./C-5194-2008 OI Lee, Jang-Sik/0000-0002-1096-1783; NR 16 TC 4 Z9 4 U1 1 U2 8 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0003-6951 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD OCT 1 PY 2007 VL 91 IS 14 AR 142901 DI 10.1063/1.2780118 PG 3 WC Physics, Applied SC Physics GA 217UZ UT WOS:000249974100081 ER PT J AU Molina, SI Varela, M Sales, DL Ben, T Pizarro, J Galindo, PL Fuster, D Gonzalez, Y Gonzalez, L Pennycook, SJ AF Molina, S. I. Varela, M. Sales, D. L. Ben, T. Pizarro, J. Galindo, P. L. Fuster, D. Gonzalez, Y. Gonzalez, L. Pennycook, S. J. TI Direct imaging of quantum wires nucleated at diatomic steps SO APPLIED PHYSICS LETTERS LA English DT Article ID ISLANDS; SURFACE; GROWTH; DOTS; DISLOCATIONS; MICROSCOPY; RESOLUTION; LATTICE; SILICON; GAAS AB Atomic steps at growth surfaces are important heterogeneous sources for nucleation of epitaxial nano-objects. In the presence of misfit strain, we show that the nucleation process takes place preferentially at the upper terrace of the step as a result of the local stress relaxation. Evidence for strain-induced nucleation comes from the direct observation by postgrowth, atomic resolution, Z-contrast imaging of an InAs-rich region in a nanowire located on the upper terrace surface of an interfacial diatomic step. (c) 2007 American Institute of Physics. C1 Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. Univ Cadiz, Fac Ciencias, Dept Ciencias Mat & IM & QI, Cadiz 11510, Spain. Univ Cadiz, CASEM, Dept Lenguajes & Sistemas Informat, Cadiz 11510, Spain. CSIC, CNM, Ist Microelect Madrid, Madrid 18760, Spain. RP Molina, SI (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM sergio.molina@uca.es RI GALINDO, PEDRO/L-6183-2014; Gonzalez, Yolanda/C-5234-2011; Gonzalez, Luisa/E-6990-2010; Varela, Maria/H-2648-2012; Ben, Teresa/B-8753-2017; Microelectronica de Madrid, Instituto de/D-5173-2013; Molina, Sergio/A-8241-2008; Fuster, David/A-7295-2014; Varela, Maria/E-2472-2014; BEN, TERESA/I-9076-2014; Sales, David/K-9453-2014; Pizarro Junquera, Joaquin/L-5943-2014 OI GALINDO, PEDRO/0000-0003-0892-8113; Gonzalez, Yolanda/0000-0002-7581-7328; Gonzalez, Luisa/0000-0002-8745-7673; Ben, Teresa/0000-0003-4842-1472; Microelectronica de Madrid, Instituto de/0000-0003-4211-9045; Molina, Sergio/0000-0002-5221-2852; Fuster, David/0000-0002-8809-697X; Varela, Maria/0000-0002-6582-7004; Sales, David/0000-0001-6652-514X; Pizarro Junquera, Joaquin/0000-0002-4295-6743 NR 31 TC 11 Z9 11 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 OCT 1 PY 2007 VL 91 IS 14 AR 143112 DI 10.1063/1.2790483 PG 3 WC Physics, Applied SC Physics GA 217UZ UT WOS:000249974100102 ER PT J AU Prasher, R Tong, T Majumdar, A AF Prasher, Ravi Tong, Tao Majumdar, Arun TI Diffraction-limited phonon thermal conductance of nanoconstrictions SO APPLIED PHYSICS LETTERS LA English DT Article ID RESISTANCE AB Thermal transport across nanosized constrictions is calculated considering wave effects. It is shown that Rayleigh-type phonon diffraction reduces thermal transport across nanosized constrictions at low temperatures. We show that for aT/v(Debye)< 0.01x10(-9) K s, where a is the radius of the constriction, T the temperature, and v(Debye) the Debye velocity of the solid material, diffraction effects are important. (c) 2007 American Institute of Physics. C1 Intel Corp, Chandler, AZ 85226 USA. Arizona State Univ, Dept Mech & Aerosp Engn, Tempe, AZ 85287 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mech Engn, Berkeley, CA 94720 USA. RP Prasher, R (reprint author), Intel Corp, 5000 W Chandler Blvd, Chandler, AZ 85226 USA. EM ravi.s.prasher@intel.com NR 18 TC 17 Z9 17 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 OCT 1 PY 2007 VL 91 IS 14 AR 143119 DI 10.1063/1.2794428 PG 3 WC Physics, Applied SC Physics GA 217UZ UT WOS:000249974100109 ER PT J AU Tian, Y Gan, ZQ Zhou, ZQ Lynch, DW Shinar, J Kang, JH Park, QH AF Tian, Yun Gan, Zhengqing Zhou, Zhaoqun Lynch, David W. Shinar, Joseph Kang, Ji-hun Park, Q-Han TI Spectrally narrowed edge emission from organic light-emitting diodes SO APPLIED PHYSICS LETTERS LA English DT Article ID AMPLIFIED SPONTANEOUS EMISSION; THIN-FILMS; POLYMER; LASERS; EXCITATION; INJECTION; DEVICES; MODE AB A dramatic spectrally narrowed edge emission (SNEE) from small molecular organic light-emitting diodes at room temperature, with a full width at half maximum of 5-10 nm, is described. The results show that this emission is due to irregular waveguide modes that leak from the indium tin oxide anode to the glass substrate at a grazing angle. Measurements of variable stripe length devices exhibit an apparent weak optical gain, but there is no observable threshold bias associated with this SNEE. Hence this apparent "optical gain" is suspected to result from misalignment of the propagating leaky waveguide mode and the collecting optics. (c) 2007 American Institute of Physics. C1 Iowa State Univ, USDOE, Ames Lab, Ames, IA 50011 USA. Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. Korea Univ, Dept Phys, Seoul 136701, South Korea. RP Shinar, J (reprint author), Iowa State Univ, USDOE, Ames Lab, Ames, IA 50011 USA. EM jshinar@iastate.edu NR 16 TC 10 Z9 10 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 0003-6951 EI 1077-3118 J9 APPL PHYS LETT JI Appl. Phys. Lett. PD OCT 1 PY 2007 VL 91 IS 14 AR 143504 DI 10.1063/1.2778358 PG 3 WC Physics, Applied SC Physics GA 217UZ UT WOS:000249974100118 ER PT J AU Ziegler, A Cinibulk, MK Kisielowski, C Ritchie, RO AF Ziegler, A. Cinibulk, M. K. Kisielowski, C. Ritchie, R. O. TI Atomic-scale observation of the grain-boundary structure of Yb-doped and heat-treated silicon nitride ceramics SO APPLIED PHYSICS LETTERS LA English DT Article ID TRANSMISSION ELECTRON-MICROSCOPY; INTERGRANULAR FILM THICKNESS; MICROSTRUCTURAL DESIGN; COMPRESSIVE CREEP; SI3N4-MGO ALLOYS; RESOLUTION; CHEMISTRY; OXIDATION; STRENGTH; FRACTURE AB The effect of secondary sintering additives and/or a post-sintering heat treatment on the semicrystalline atomic structure of the intergranular phase in silicon nitride ceramics is investigated. Three different Yb-doped Si(3)N(4) ceramic compositions are examined using a scanning transmission electron microscope, whereby the intergranular atomic structure is directly imaged with Angstrom resolution. The resulting high-resolution images show that the atomic arrangement of the Yb takes very periodic positions along the interface between the intergranular phase and the matrix grains, and that a postsintering 1250 degrees C heat treatment, as well as a change of the secondary sintering additives (Al(2)O(3) vs SiO(2)), does not alter the atomic positions of Yb. This result has implications for the understanding of how the mechanical properties of ceramics are influenced by the presence of the nanoscale intergranular phase, and for associated computational modeling of its precise role and atomic structure. C1 Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. Wright Patterson AF Base, AF Res Lab, Wright Patterson AFB, OH 45433 USA. RP Ziegler, A (reprint author), 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 30 TC 2 Z9 2 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 OCT 1 PY 2007 VL 91 IS 14 AR 141906 DI 10.1063/1.2789390 PG 3 WC Physics, Applied SC Physics GA 217UZ UT WOS:000249974100031 ER PT J AU Chichester, DL Pierce, GD AF Chichester, D. L. Pierce, G. D. TI Analysis of a shield design for a DT neutron generator test facility SO APPLIED RADIATION AND ISOTOPES LA English DT Article DE neutron generator; shielding; DT neutron AB Independent numerical simulations have been performed using the MCNP5 and SCALE5 radiation transport codes to evaluate the effectiveness of a concrete facility designed to shield personnel from neutron radiation emitted from DT neutron generators. The analysis considered radiation source terms of 14.1 MeV monoenergetic neutrons located at three discrete locations within the two test vaults ill the facility, calculating neutron and photon dose rates at 44 locations around the facility using both codes. Ill addition, dose rate contours were established throughout the facility using the MCNP5 mesh tally feature. Neutron dose rates calculated outside of the facility are predicted to be below 0.01 mrem/h at all locations when all neutron generator source terms are operating within the facility. Similarly, the neutron dose rate in one empty test vault when the adjacent test vault is being utilized is also less then 0.01 mrem/h. For most calculation locations outside the facility the photon dose rates were less then the neutron dose rates by a factor of 10 or more. (c) 2007 Elsevier Ltd. All rights reserved. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Merrick & Co, Aurora, CO 80114 USA. RP Chichester, DL (reprint author), Idaho Natl Lab, 2525 N Freemont Ave, Idaho Falls, ID 83415 USA. EM david.chichester@inl.gov NR 19 TC 4 Z9 4 U1 0 U2 2 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0969-8043 J9 APPL RADIAT ISOTOPES JI Appl. Radiat. Isot. PD OCT PY 2007 VL 65 IS 10 BP 1125 EP 1133 DI 10.1016/j.apradiso.2007.05.008 PG 9 WC Chemistry, Inorganic & Nuclear; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging SC Chemistry; Nuclear Science & Technology; Radiology, Nuclear Medicine & Medical Imaging GA 221SV UT WOS:000250248500007 PM 17659876 ER PT J AU Arora, M Kennedy, BJ Ryan, CG Boadle, RA Walker, DM Harland, CL Lai, B Cai, ZH Vogt, S Zoellner, H Chan, SWY AF Arora, Manish Kennedy, Brendan J. Ryan, Chris G. Boadle, Ross A. Walker, D. Murray Harland, Cathy L. Lai, Barry Cai, Zhonghou Vogt, Stefan Zoellner, Hans Chan, Sheena W. Y. TI The application of synchrotron radiation induced X-ray emission in the measurement of zinc and lead in Wistar rat ameloblasts SO ARCHIVES OF ORAL BIOLOGY LA English DT Article DE synchrotron radiation; X-ray emission; Ameloblasts; Wistar rats; trace elements; zinc; lead ID FINGER TRANSCRIPTION FACTOR; HUMAN TEETH; INCISOR TEETH; DENTAL-CARIES; TRACE-METALS; LUNG-CELLS; ENAMEL; TOOTH; BIOTRANSFORMATION; ULTRASTRUCTURE AB The development of analytical techniques for the measurement of trace elements in cellular compartments of developing teeth remains an important methodological issue in dental research. Recent advances in third generation synchrotron facilities have provided high brilliance X-ray sources that can be effectively used to study trace element distributions in small spatial regions with low detection limits. The present study describes for the first time the application of synchrotron radiation induced X-ray emission (SRIXE) in measuring the distribution of zinc and lead in the ameloblasts of developing Wistar rat teeth. Wistar rats were fed a standard rat diet, containing the normal dietary requirements of zinc, ad libitum and exposed to 100 ppm of lead in drinking water. Resin embedded sections of first mandibular molars were analysed using a 13.3 keV incident monochromatic X-ray beam focussed to a 0.2 mu m spot. Characteristic X-rays arising from the entire thickness of the sample were measured using an energy dispersive detector for quantitative analysis of elemental concentrations. The results showed that intranuclear concentrations of zinc were greater than levels in the cytoplasm. Furthermore, nuclear and cytoplasmic concentrations of zinc in the maturation stage (742 27 and 424 25 ppm, respectively) were significantly higher than the zinc levels observed in the nucleus and cytoplasm of presecretory stage ameloblasts (132 10 and 109 10 ppm, respectively) (p < 0.05). A clear lead signal above the background was not detected in the ameloblasts and lead concentrations could only be reliably measured in the developing enamel. Overall, SRIXE was an effective method of studying the spatial distribution of zinc in the cells of developing teeth and offered a unique combination of sub-micron spatial resolution and parts -per- million detection limits (0.8-1 and 0.6-1 ppm for zinc and lead, respectively). (C) 2007 Elsevier Ltd. All rights reserved. C1 Univ Sydney, Westmead Ctr Oral Hlth, Westmead Hosp,Dept Oral Pathol, Fac Dent,Cellular & Mol Pathol Res Unit, Westmead, NSW 2145, Australia. Univ Sydney, Sch Chem, Sydney, NSW 2006, Australia. Monash Univ, CSIRO Explorat & Mining, Clayton, Vic 3168, Australia. Westmead Hosp, ICPMR, Electron Microscope Unit, Westmead, NSW 2145, Australia. Australian Nucl Sci & Technol Org, Australian Synchrotron Res Program, Lucas Heights, NSW, Australia. Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Arora, M (reprint author), Univ Sydney, Westmead Ctr Oral Hlth, Westmead Hosp,Dept Oral Pathol, Fac Dent,Cellular & Mol Pathol Res Unit, Westmead, NSW 2145, Australia. EM marora@mail.usyd.edu.au; b.kennedy@chem.usyd.edu.au; Chris.Ryan@csiro.au; rossb@icpmr.wsahs.nsw.gov.au; charland@aps.anl.gov; BLAI@aps.anl.gov; CAI@aps.anl.gov; VOGT@aps.anl.gov; hzoellne@mail.usyd.edu.au RI Ryan, Chris/A-6032-2011; Vogt, Stefan/B-9547-2009; Vogt, Stefan/J-7937-2013; OI Ryan, Chris/0000-0003-2891-3912; Vogt, Stefan/0000-0002-8034-5513; Vogt, Stefan/0000-0002-8034-5513; Kennedy, Brendan/0000-0002-7187-4579 NR 50 TC 6 Z9 7 U1 0 U2 4 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0003-9969 J9 ARCH ORAL BIOL JI Arch. Oral Biol. PD OCT PY 2007 VL 52 IS 10 BP 938 EP 944 DI 10.1016/j.archoralbio.2007.04.003 PG 7 WC Dentistry, Oral Surgery & Medicine SC Dentistry, Oral Surgery & Medicine GA 220UF UT WOS:000250182100006 PM 17521603 ER PT J AU Deru, M MacDonald, M AF Deru, Michael MacDonald, Michael TI The Wal-Mart experience SO ASHRAE JOURNAL LA English DT Article C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Deru, M (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. NR 0 TC 2 Z9 2 U1 0 U2 2 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 OCT PY 2007 VL 49 IS 10 BP 22 EP + PG 5 WC Thermodynamics; Construction & Building Technology; Engineering, Mechanical SC Thermodynamics; Construction & Building Technology; Engineering GA 223RR UT WOS:000250390500007 ER PT J AU Kildea, J Atkins, RW Badran, HM Blaylock, G Bond, IH Bradbury, SM Buckley, JH Carter-Lewis, DA Celik, O Chow, YCK Cui, W Cogan, P Daniel, MK Perez, ID Dowdall, C Duke, C Falcone, AD Fegan, DJ Fegan, SJ Finley, JP Fortson, LF Gall, D Gillanders, GH Grube, J Gutierrez, KJ Hall, J Hall, TA Holder, J Horan, D Hughes, SB Jordan, M Jung, I Kenny, GE Kertzman, M Knapp, J Konopelko, A Kosack, K Krawczynski, H Krennrich, F Lang, MJ LeBohec, S Lloyd-Evans, J Millis, J Moriarty, P Nagai, T Ogden, PA Ong, RA Perkins, JS Petry, D Pizlo, F Pohl, M Quinn, J Quinn, M Rebillot, PF Rose, HJ Schroedter, M Sembroski, GH Smith, AW Syson, A Toner, JA Valcarcel, L Vassiliev, VV Wakely, SP Weekes, TC White, RJ AF Kildea, J. Atkins, R. W. Badran, H. M. Blaylock, G. Bond, I. H. Bradbury, S. M. Buckley, J. H. Carter-Lewis, D. A. Celik, O. Chow, Y. C. K. Cui, W. Cogan, P. Daniel, M. K. Perez, I. de la Calle Dowdall, C. Duke, C. Falcone, A. D. Fegan, D. J. Fegan, S. J. Finley, J. P. Fortson, L. F. Gall, D. Gillanders, G. H. Grube, J. Gutierrez, K. J. Hall, J. Hall, T. A. Holder, J. Horan, D. Hughes, S. B. Jordan, M. Jung, I. Kenny, G. E. Kertzman, M. Knapp, J. Konopelko, A. Kosack, K. Krawczynski, H. Krennrich, F. Lang, M. J. LeBohec, S. Lloyd-Evans, J. Millis, J. Moriarty, P. Nagai, T. Ogden, P. A. Ong, R. A. Perkins, J. S. Petry, D. Pizlo, F. Pohl, M. Quinn, J. Quinn, M. Rebillot, P. F. Rose, H. J. Schroedter, M. Sembroski, G. H. Smith, A. W. Syson, A. Toner, J. A. Valcarcel, L. Vassiliev, V. V. Wakely, S. P. Weekes, T. C. White, R. J. TI The Whipple Observatory 10 m gamma-ray telescope, 1997-2006 SO ASTROPARTICLE PHYSICS LA English DT Article DE gamma-ray astronomy; gamma-ray telescope; atmospheric Cherenkov effect; imaging atmospheric Cherenkov technique; Whipple collaboration; VERITAS; GRANITE; imaging atmospheric Cherenkov telescope ID ATMOSPHERIC CHERENKOV TELESCOPE; IMAGING TELESCOPE; GALACTIC-CENTER; TEV ENERGIES; EMISSION; SYSTEM; ARRAY; DISCOVERY; RADIATION; ASTRONOMY AB Details are presented of the Whipple Observatory's 10 m atmospheric Cherenkov telescope and camera, as it evolved during the period 1997 until 2006. The design of the telescope and camera's optical and electronic systems is discussed together with a detailed description of the four-stage GRANITE (Gamma-RAy New Imaging TElescope) upgrade program, undertaken during the same time period. The objective of the upgrade was to improve the telescope's sensitivity for the detection of very-high-energy gamma-rays. Results from the program are provided and are briefly discussed in the context of the design of VERITAS. (C) 2007 Elsevier B.V. All rights reserved. C1 McGill Univ, Dept Phys, Montreal, PQ H3A 2T8, Canada. Univ Utah, Dept Phys, Salt Lake City, UT 84112 USA. Tanta Univ, Dept Phys, Tanta, Egypt. Univ Massachusetts, Dept Phys, Amherst, MA 01003 USA. Univ Leeds, Sch Phys & Astron, Leeds LS2 9JT, W Yorkshire, England. Washington Univ, Dept Phys, St Louis, MO 63130 USA. Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA. Purdue Univ, Dept Phys, W Lafayette, IN 47907 USA. Univ Coll Dublin, Sch Phys, Dublin, Ireland. Univ Oxford, Dept Phys, Oxford OX1 3RH, England. Grinnell Coll, Dept Phys, Grinnell, IA 50112 USA. Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. Adler Planetarium & Astron Museum, Dept Astron, Chicago, IL 60605 USA. Natl Univ Ireland Univ Coll Galway, Dept Phys, Galway, Ireland. Univ Arkansas, Dept Phys & Astron, Little Rock, AR 72204 USA. Univ Delaware, Dept Phys & Astron, Sharp Lab, Newark, DE 19716 USA. Argonne Natl Lab, Argonne, IL 60439 USA. Depauw Univ, Dept Phys & Astron, Greencastle, IN 46135 USA. Max Planck Inst Kernphys, D-69117 Heidelberg, Germany. Galway Mayo Inst Technol, Dept Phys & Life Sci, Galway, Ireland. Harvard Smithsonian Ctr Astrophys, Fred Lawrence Whipple Observ, Amado, AZ 85645 USA. NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. RP Kildea, J (reprint author), McGill Univ, Dept Phys, Montreal, PQ H3A 2T8, Canada. EM jkildea@gmail.com RI Hall, Jeter/E-9294-2015; Daniel, Michael/A-2903-2010; OI Daniel, Michael/0000-0002-8053-7910; Cui, Wei/0000-0002-6324-5772; Knapp, Johannes/0000-0003-1519-1383; Lang, Mark/0000-0003-4641-4201 NR 46 TC 19 Z9 19 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 OCT PY 2007 VL 28 IS 2 BP 182 EP 195 DI 10.1016/j.astropartphys.2007.05.004 PG 14 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 220BW UT WOS:000250132900002 ER PT J AU Glikman, E Helfand, DJ White, RL Becker, RH Gregg, MD Lacy, M AF Glikman, Eilat Helfand, David J. White, Richard L. Becker, Robert H. Gregg, Michael D. Lacy, Mark TI The first-2MASS red quasar survey SO ASTROPHYSICAL JOURNAL LA English DT Article DE dust, extinction; quasars : general; surveys ID ACTIVE GALACTIC NUCLEI; DIGITAL SKY SURVEY; NEAR-INFRARED SPECTRA; X-RAY; REDDENED QUASARS; BLACK-HOLES; II QUASARS; LUMINOSITY FUNCTION; DUST EXTINCTION; STELLAR OBJECTS AB Combining radio observations with optical and infrared color selection, demonstrated in our pilot study to be an efficient selection algorithm for finding red quasars, we have obtained optical and infrared spectroscopy for 120 objects in a complete sample of 156 candidates from a sky area of 2716 deg(2). Consistent with our initial results, we find that our selection criteria ( J - K > 1.7, R - K > 4. 0) yield a similar to 50% success rate for discovering quasars substantially redder than those found in optical surveys. Comparison with UVX- and optical color-selected samples shows that greater than or similar to 10% of the quasars are missed in a magnitude-limited survey. Simultaneous two-frequency radio observations for part of the sample indicate that a synchrotron continuum component is ruled out as a significant contributor to reddening the quasars' spectra. We go on to estimate extinctions for our objects assuming that their red colors are caused by dust. Continuum fits and Balmer decrements suggest E( B - V) values ranging from near zero to 2.5 mag. Correcting the K-band magnitudes for these extinctions, we find that for K <= 14.0, red quasars make up between 25% and 60% of the underlying quasar population; owing to the incompleteness of 2MASS at fainter K-band magnitudes, we can only set a lower limit to the radio-detected red quasar population of > 20% - 30%. C1 CALTECH, Dept Astron, Pasadena, CA 91125 USA. Columbia Univ, Dept Astron, New York, NY 10027 USA. Space Telescope Sci Inst, Baltimore, MD 21218 USA. Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94551 USA. Spitzer Sci Ctr, Pasadena, CA 91125 USA. RP Glikman, E (reprint author), CALTECH, Dept Astron, Pasadena, CA 91125 USA. EM eilatg@astro.caltech.edu; djh@astro.columbia.edu; rlw@stsci.edu; bob@igpp.ucllnl.org; gregg@igpp.ucllnl.org; mlacy@ipac.caltech.edu RI White, Richard/A-8143-2012 NR 78 TC 73 Z9 74 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 OCT 1 PY 2007 VL 667 IS 2 BP 673 EP 703 DI 10.1086/521073 PN 1 PG 31 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 213WY UT WOS:000249699200004 ER PT J AU Sharma, P Quataert, E Hammett, GW Stone, JM AF Sharma, Prateek Quataert, Eliot Hammett, Gregory W. Stone, James M. TI Electron heating in hot accretion flows SO ASTROPHYSICAL JOURNAL LA English DT Article DE accretion, accretion disks; galaxy : center; MHD; plasmas ID ADVECTION-DOMINATED ACCRETION; RADIATION MAGNETOHYDRODYNAMICS CODE; SAGITTARIUS-A-ASTERISK; 2 SPACE DIMENSIONS; MAGNETOROTATIONAL INSTABILITY; ALFVENIC TURBULENCE; BLACK-HOLES; HYDRODYNAMIC ALGORITHMS; FIREHOSE INSTABILITY; COLLISIONLESS PLASMA AB Local ( shearing box) simulations of the nonlinear evolution of the magnetorotational instability in a collisionless plasma show that angular momentum transport by pressure anisotropy ( p(perpendicular to)not equal p(parallel to), where the directions are defined with respect to the local magnetic field) is comparable to that due to the Maxwell and Reynolds stresses. Pressure anisotropy, which is effectively a large-scale viscosity, arises because of adiabatic invariants related to p(perpendicular to) and p(parallel to) in a fluctuating magnetic field. In a collisionless plasma, the magnitude of the pressure anisotropy, and thus the viscosity, is determined by kinetic instabilities at the cyclotron frequency. Our simulations show that similar to 50% of the gravitational potential energy is directly converted into heat at large scales by the viscous stress ( the remaining energy is lost to grid-scale numerical dissipation of kinetic and magnetic energy). We show that electrons receive a significant fraction [similar to(T-e/T-i)(1/2)] of this dissipated energy. Employing this heating by an anisotropic viscous stress in one-dimensional models of radiatively inefficient accretion flows, we find that the radiative efficiency of the flow is greater than 0.5% for over dot(M)greater than or similar to 10(-4) over dot(M)(Edd). Thus, a low accretion rate, rather than just a low radiative efficiency, is necessary to explain the low luminosity of many accreting black holes. For Sgr A* in the Galactic center, our predicted radiative efficiencies imply an accretion rate of approximate to 3 x 10(-8) M circle dot yr(-1) and an electron temperature of approximate to 3 x 10(10) K at approximate to 10 Schwarzschild radii; the latter is consistent with the brightness temperature inferred from VLBI observations. C1 Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. RP Sharma, P (reprint author), Univ Calif Berkeley, Dept Astron, 601 Campbell Hall, Berkeley, CA 94720 USA. EM psharma@astro.berkeley.edu; eliot@astro.berkeley.edu; hammett@pppl.gov; jstone@astro.princeton.edu RI Hammett, Gregory/D-1365-2011 OI Hammett, Gregory/0000-0003-1495-6647 NR 60 TC 102 Z9 102 U1 0 U2 7 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 OCT 1 PY 2007 VL 667 IS 2 BP 714 EP 723 DI 10.1086/520800 PN 1 PG 10 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 213WY UT WOS:000249699200006 ER PT J AU Neugebauer, M Gloeckler, G Gosling, JT Rees, A Skoug, R Goldstein, BE Armstrong, TP Combi, MR Makinen, T McComas, DJ Von Steiger, R Zurbuchen, TH Smith, EJ Geiss, J Lanzerotti, LJ AF Neugebauer, M. Gloeckler, G. Gosling, J. T. Rees, A. Skoug, R. Goldstein, B. E. Armstrong, T. P. Combi, M. R. Maekinen, T. McComas, D. J. Von Steiger, R. Zurbuchen, T. H. Smith, E. J. Geiss, J. Lanzerotti, L. J. TI Encounter of the ulysses spacecraft with the ion tail of comet McNaught SO ASTROPHYSICAL JOURNAL LA English DT Article DE comets : general; plasmas; solar wind ID C/1996 B2 HYAKUTAKE; SOURCE PICKUP IONS; SOLAR-WIND; GIACOBINI-ZINNER; TEMPORAL DECONVOLUTION; EXPLORER ENCOUNTER; HEAVY-IONS; INTERSTELLAR; HYDROGEN; INSTRUMENT AB Comet McNaught was the brightest comet observed from Earth in the last 40 years. For a period of five days in early 2007 February, four instruments on the Ulysses spacecraft directly measured cometary ions and key properties of the interaction of the comet's ion tail with the high-speed solar wind from the polar regions of the Sun. Because of the record-breaking duration of the encounter, the data are unusually comprehensive. O3+ ions were detected for the first time in a comet tail, coexisting with singly charged molecular ions with masses in the range 28-35 amu. The presence of magnetic turbulence and of ions with energies up to similar to 200 keV indicate that at a distance of similar to 1.6 AU from the comet nucleus, the ion tail of comet McNaught had not yet reached equilibrium with the surrounding solar wind. C1 Univ Arizona, Lunar & Planetary Lab, Tucson, AZ 85721 USA. Univ Michigan, Ann Arbor, MI 48109 USA. Univ Maryland, College Pk, MD 20742 USA. Univ Colorado, LASP, Boulder, CO 80303 USA. Univ London Imperial Coll Sci Technol & Med, London, England. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. Fundamental Technol LLC, Lawrence, KS 66046 USA. Finnish Meteorol Inst, FIN-00101 Helsinki, Finland. SW Res Inst, San Antonio, TX 78228 USA. Int Space Sci Inst, CH-3012 Bern, Switzerland. Univ Bern, CH-3012 Bern, Switzerland. New Jersey Inst Technol, Dept Phys, Newark, NJ 07102 USA. RP Neugebauer, M (reprint author), Univ Arizona, Lunar & Planetary Lab, Tucson, AZ 85721 USA. EM mneugeb@lpl.Arizona.edu RI Von Steiger, Rudolf/F-6822-2011; Combi, Michael/J-1697-2012 OI Von Steiger, Rudolf/0000-0002-3350-0023; Combi, Michael/0000-0002-9805-0078 NR 29 TC 31 Z9 31 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 OCT 1 PY 2007 VL 667 IS 2 BP 1262 EP 1266 DI 10.1086/521019 PN 1 PG 5 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 213WY UT WOS:000249699200048 ER PT J AU Chen, HW Prochaska, JX Gnedin, NY AF Chen, Hsiao-Wen Prochaska, Jason X. Gnedin, Nickolay Y. TI A new constraint on the escape fraction in distant galaxies using gamma-ray burst afterglow spectroscopy SO ASTROPHYSICAL JOURNAL LA English DT Article DE cosmology : observations; galaxies : high-redshift; galaxies : ISM; gamma rays : bursts ID LYMAN-CONTINUUM EMISSION; HIGH COLUMN DENSITY; STAR-FORMATION; HOST GALAXIES; SPACE-TELESCOPE; STARBURST GALAXY; HIGH-REDSHIFT; GRB; Z-SIMILAR-TO-3; ENVIRONMENTS AB We describe a new method to measure the escape fraction f(esc) of ionizing radiation from distant star-forming galaxies using the afterglow spectra of long-duration gamma-ray bursts ( GRBs). Optical spectra of GRB afterglows allow us to evaluate the optical depth of the host ISM, according to the neutral hydrogen column density N( Hi) observed along the sight lines toward the star-forming regions where the GRBs are found. Different from previous efforts in searching for faint, transmitted Lyman continuum photons, our method is not subject to background subtraction uncertainties and does not require prior knowledge of either the spectral shape of the host galaxy population or the IGM Ly alpha forest absorption along these GRB sight lines. Because most GRBs occur in sub-L galaxies, our study also offers the first constraint on for distant low-mass galaxies that dominate the cosmic luminosity density. We fesc have compiled a sample of 28 GRBs at redshift z greater than or similar to 2 for which the underlying N(H (I)) values in the host ISM are known. These GRBs together offer a statistical sampling of the integrated optical depth to ionizing photons along random sight lines from star-forming regions in the host galaxies, and allow us to estimate the mean escape fraction averaged over different viewing angles. We find and place a 95% c. l. upper limit < fesc > = 0.02 +/- 0.02 for these hosts. We discuss possible biases of our approach and implications of the result. Finally, < fesc > <= 0.075 esc we propose to extend this technique for measuring < f(esc)> at z similar to 0.2 using spectra of core-collapse supernovae. C1 Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. Univ Calif Santa Cruz, Univ Calif Observ, Lick Observ, Santa Cruz, CA 95064 USA. Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. Fermilab Natl Accelerator Lab, Ctr Particle Astrophys, Batavia, IL 60510 USA. Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. RP Chen, HW (reprint author), Univ Chicago, Dept Astron & Astrophys, 5640 S Ellis Ave, Chicago, IL 60637 USA. EM hchen@oddjob.uchicago.edu; xavier@ucolick.edu; gnedin@fnal.gov NR 76 TC 64 Z9 64 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 OCT 1 PY 2007 VL 667 IS 2 BP L125 EP L128 DI 10.1086/522306 PN 2 PG 4 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 213XH UT WOS:000249700100003 ER PT J AU Adelman-McCarthy, JK Agueros, MA Allam, SS Anderson, KSJ Anderson, SF Annis, J Bahcall, NA Bailer-Jones, CAL Baldry, IK Barentine, JC Beers, TC Belokurov, V Berlind, A Bernardi, M Blanton, MR Bochanski, JJ Boroski, WN Bramich, DM Brewington, HJ Brinchmann, J Brinkmann, J Brunner, RJ Budavari, T Carey, LN Carliles, S Carr, MA Castander, FJ Connolly, AJ Cool, RJ Cunha, CE Csabai, I Dalcanton, JJ Doi, M Eisenstein, DJ Evans, ML Evans, NW Fan, XH Finkbeiner, DP Friedman, SD Frieman, JA Fukugita, M Gillespie, B Gilmore, G Glazebrook, K Gray, J Grebel, EK Gunn, JE De Haas, E Hall, PB Harvanek, M Hawley, SL Hayes, J Heckman, TM Hendry, JS Hennessy, GS Hindsley, RB Hirata, CM Hogan, CJ Hogg, DW Holtzman, JA Ichikawa, SI Ichikawa, T Ivezic, Z Jester, S Johnston, DE Jorgensen, AM Juric, M Kauffmann, G Kent, SM Kleinman, SJ Knapp, GR Kniazev, AY Kron, RG Krzesinski, J Kuropatkin, N Lamb, DQ Lampeitl, H Lee, BC Leger, RF Lima, M Lin, H Long, DC Loveday, J Lupton, RH Mandelbaum, R Margon, B Martinez-Delgado, D Matsubara, T McGehee, PM Mckay, TA Meiksin, A Munn, JA Nakajima, R Nash, T Neilsen, EH Newberg, HJ Nichol, RC Nieto-Santisteban, M Nitta, A Oyaizu, H Okamura, S Ostriker, JP Padmanabhan, N Park, C Peoples, J Pier, JR Pope, AC Pourbaix, D Quinn, TR Raddick, MJ Fiorentin, PR Richards, GT Richmond, MW Rix, HW Rockosi, CM Schlegel, DJ Schneider, DP Scranton, R Seljak, U Sheldon, E Shimasaku, K Silvestri, NM Smith, JA Smolcic, V Snedden, SA Stebbins, A Stoughton, C Strauss, MA SubbaRao, M Suto, Y Szalay, AS Szapudi, I Szkody, P Tegmark, M Thakar, AR Tremonti, CA Tucker, DL Uomoto, A Berk, DEV Vandenberg, J Vidrih, S Vogeley, MS Voges, W Vogt, NP Weinberg, DH West, AA White, SDM Wilhite, B Yanny, B Yocum, DR York, DG Zehavi, I Zibetti, S Zucker, DB AF Adelman-McCarthy, Jennifer K. Agueeros, Marcel A. Allam, Sahar S. Anderson, Kurt S. J. Anderson, Scott F. Annis, James Bahcall, Neta A. Bailer-Jones, Coryn A. L. Baldry, Ivan K. Barentine, J. C. Beers, Timothy C. Belokurov, V. Berlind, Andreas Bernardi, Mariangela Blanton, Michael R. Bochanski, John J. Boroski, William N. Bramich, D. M. Brewington, Howard J. Brinchmann, Jarle Brinkmann, J. Brunner, Robert J. Budavari, Tamas Carey, Larry N. Carliles, Samuel Carr, Michael A. Castander, Francisco J. Connolly, A. J. Cool, R. J. Cunha, Carlos E. Csabai, Istvan Dalcanton, Julianne J. Doi, Mamoru Eisenstein, Daniel J. Evans, Michael L. Evans, N. W. Fan, Xiaohui Finkbeiner, Douglas P. Friedman, Scott D. Frieman, Joshua A. Fukugita, Masataka Gillespie, Bruce Gilmore, G. Glazebrook, Karl Gray, Jim Grebel, Eva K. Gunn, James E. De Haas, Ernst Hall, Patrick B. Harvanek, Michael Hawley, Suzanne L. Hayes, Jeffrey Heckman, Timothy M. Hendry, John S. Hennessy, Gregory S. Hindsley, Robert B. Hirata, Christopher M. Hogan, Craig J. Hogg, David W. Holtzman, Jon A. Ichikawa, Shin-Ichi Ichikawa, Takashi Ivezic, Zeljko Jester, Sebastian Johnston, David E. Jorgensen, Anders M. Juric, Mario Kauffmann, Guinevere Kent, Stephen M. Kleinman, S. J. Knapp, G. R. Kniazev, Alexei Yu. Kron, Richard G. Krzesinski, Jurek Kuropatkin, Nikolay Lamb, Donald Q. Lampeitl, Hubert Lee, Brian C. Leger, R. French Lima, Marcos Lin, Huan Long, Daniel C. Loveday, Jon Lupton, Robert H. Mandelbaum, Rachel Margon, Bruce Martinez-Delgado, David Matsubara, Takahiko McGehee, Peregrine M. Mckay, Timothy A. Meiksin, Avery Munn, Jeffrey A. Nakajima, Reiko Nash, Thomas Neilsen, Eric H., Jr. Newberg, Heidi Jo Nichol, Robert C. Nieto-Santisteban, Maria Nitta, Atsuko Oyaizu, Hiroaki Okamura, Sadanori Ostriker, Jeremiah P. Padmanabhan, Nikhil Park, Changbom Peoples, John, Jr. Pier, Jeffrey R. Pope, Adrian C. Pourbaix, Dimitri Quinn, Thomas R. Raddick, M. Jordan Fiorentin, Paola Re Richards, Gordon T. Richmond, Michael W. Rix, Hans-Walter Rockosi, Constance M. Schlegel, David J. Schneider, Donald P. Scranton, Ryan Seljak, Uros Sheldon, Erin Shimasaku, Kazu Silvestri, Nicole M. Smith, J. Allyn Smolcic, Vernesa Snedden, Stephanie A. Stebbins, Albert Stoughton, Chris Strauss, Michael A. SubbaRao, Mark Suto, Yasushi Szalay, Alexander S. Szapudi, Istvan Szkody, Paula Tegmark, Max Thakar, Aniruddha R. Tremonti, Christy A. Tucker, Douglas L. Uomoto, Alan Berk, Daniel E. Vanden Vandenberg, Jan Vidrih, S. Vogeley, Michael S. Voges, Wolfgang Vogt, Nicole P. Weinberg, David H. West, Andrew A. White, Simon D. M. Wilhite, Brian Yanny, Brian Yocum, D. R. York, Donald G. Zehavi, Idit Zibetti, Stefano Zucker, Daniel B. TI The Fifth Data Release of the Sloan Digital Sky Survey SO ASTROPHYSICAL JOURNAL SUPPLEMENT SERIES LA English DT Article DE atlases; catalogs; surveys ID SPECTROSCOPIC TARGET SELECTION; GALAXY REDSHIFT SURVEY; SURVEY QUASAR CATALOG; PHOTOMETRIC REDSHIFTS; SURFACE BRIGHTNESS; SDSS; SAMPLE; SYSTEM; FIELD; CALIBRATION AB This paper describes the Fifth Data Release (DR5) of the Sloan Digital Sky Survey (SDSS). DR5 includes all survey quality data taken through 2005 June and represents the completion of the SDSS-I project (whose successor, SDSS-II, will continue through mid-2008). It includes five-band photometric data for 217 million objects selected over 8000 deg(2) and 1,048,960 spectra of galaxies, quasars, and stars selected from 5713 deg2 of that imaging data. These numbers represent a roughly 20% increment over those of the Fourth Data Release; all the data from previous data releases are included in the present release. In addition to "standard'' SDSS observations, DR5 includes repeat scans of the southern equatorial stripe, imaging scans across M31 and the core of the Perseus Cluster of galaxies, and the first spectroscopic data from SEGUE, a survey to explore the kinematics and chemical evolution of the Galaxy. The catalog database incorporates several new features, including photometric redshifts of galaxies, tables of matched objects in overlap regions of the imaging survey, and tools that allow precise computations of survey geometry for statistical investigations. C1 Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. Univ Washington, Dept Astron, Seattle, WA 98195 USA. Univ Wyoming, Dept Phys & Astron, Laramie, WY 82071 USA. Apache Point Observ, Sunspot, NM 88349 USA. Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08544 USA. Max Planck Inst Astron, D-69117 Heidelberg, Germany. Liverpool John Moores Univ, Astrophys Res Inst, Birkenhead CH41 1LD, Merseyside, England. Johns Hopkins Univ, Dept Phys & Astron, Ctr Astrophys Sci, Baltimore, MD 21218 USA. Michigan State Univ, Dept Phys & Astron, E Lansing, MI 48824 USA. Michigan State Univ, Joint Inst Nucl Astrophys, E Lansing, MI 48824 USA. Univ Cambridge, Astron Inst, Cambridge CB3 0HA, England. NYU, Dept Phys, Ctr Cosmol & Particle Phys, New York, NY 10003 USA. Univ Penn, Dept Phys & Astron, Philadelphia, PA 19104 USA. Univ Porto, Ctr Astrofis, P-4150762 Oporto, Portugal. Univ Illinois, Dept Astron, Urbana, IL 61801 USA. CSIC, Inst Estudis Espacials Catalunya, E-08034 Barcelona, Spain. Univ Pittsburgh, Dept Phys & Astron, Pittsburgh, PA 15260 USA. Univ Arizona, Steward Observ, Tucson, AZ 85721 USA. Univ Chicago, Dept Astron & Astrophys, Chicago, IL 60637 USA. Univ Chicago, Kavli Inst Cosmol Phys, Chicago, IL 60637 USA. Eotvos Lorand Univ, Dept Phys Complex Syst, H-1518 Budapest, Hungary. Univ Tokyo, Sch Sci, Astron Inst, Mitaka, Tokyo 1810015, Japan. Space Telescope Sci Inst, Baltimore, MD 21218 USA. Univ Tokyo, Inst Cosm Ray Res, Kashiwa, Chiba 2778582, Japan. Microsoft Res, San Francisco, CA 94105 USA. Univ Basel, Astron Inst, Dept Phys & Astron, CH-4102 Basel, Switzerland. York Univ, Dept Phys & Astron, N York, ON M3J 1P3, Canada. Catholic Univ Amer, Dept Phys, Inst Astron & Computat Sci, Washington, DC 20064 USA. USN Observ, Washington, DC 20392 USA. USN, Res Lab, Remote Sensing Div, Washington, DC 20392 USA. Inst Adv Study, Princeton, NJ 08540 USA. New Mexico State Univ, Dept Astron, Las Cruces, NM 88003 USA. Natl Astron Observ, Tokyo 1818588, Japan. Tohoku Univ, Astron Inst, Aoba Ku, Sendai, Miyagi 9808578, Japan. Univ Southampton, Sch Phys & Astron, Southampton SO17 1BJ, Hants, England. CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. Univ Portsmouth, Inst Cosmol & Gravit, Portsmouth PO1 2EG, Hants, England. Gemini Observ, Hilo, HI 96720 USA. CALTECH, Pasadena, CA 91125 USA. Los Alamos Natl Lab, ISR 4, Los Alamos, NM 87545 USA. Max Planck Inst Astrophys, D-85748 Garching, Germany. Natl Astron Observ Japan, Subaru Telescope, Hilo, HI 96720 USA. Akad Pedogogicznaw Krakowie, Obserwatorium Astron Suhorze, PL-30084 Krakow, Poland. Univ Chicago, Enrico Fermi Inst, Chicago, IL 60637 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Gatan Inc, Pleasanton, CA 94588 USA. Univ Chicago, Dept Phys, Chicago, IL 60637 USA. Univ Sussex, Ctr Astron, Brighton BN1 9QJ, E Sussex, England. Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. Inst Astrofis Canarias, E-38200 San Cristobal la Laguna, Spain. Nagoya Univ, Dept Phys & Astrophys, Nagoya, Aichi 4648602, Japan. Los Alamos Natl Lab, AOT IC, Los Alamos, NM 87545 USA. Univ Michigan, Dept Phys, Ann Arbor, MI 48109 USA. Univ Edinburgh, Royal Observ, Scottish Univ Phys Alliance, Edinburgh EH9 3HJ, Midlothian, Scotland. Univ Edinburgh, Royal Observ, Astron Inst, Edinburgh EH9 3HJ, Midlothian, Scotland. USN Observ, Flagstaff, AZ 86001 USA. Rensselaer Polytech Inst, Dept Phys Appl Phys & Astron, Troy, NY 12180 USA. Univ Tokyo, Dept Astron, Tokyo 1130033, Japan. Univ Tokyo, Res Ctr Early Universe, Bunkyo Ku, Tokyo 1130033, Japan. Princeton Univ, Joseph Henry Labs, Princeton, NJ 08544 USA. Korea Inst Adv Study, Seoul 130722, South Korea. Univ Libre Bruxelles, Inst Astron & Astrophys, FNRS, B-1050 Brussels, Belgium. Drexel Univ, Dept Phys, Philadelphia, PA 19104 USA. Rochester Inst Technol, Dept Phys, Rochester, NY 14623 USA. Univ Calif Santa Cruz, Univ Calif Observ, Lick Observ, Santa Cruz, CA 95064 USA. Penn State Univ, Dept Astron & Astrophys, University Pk, PA 16802 USA. Austin Peay State Univ, Dept Phys & Astron, Clarksville, TN 37040 USA. Alder Planetarium & Astron Museum, Chicago, IL 60605 USA. Univ Tokyo, Dept Phys, Tokyo 1130033, Japan. Univ Hawaii, Inst Astron, Honolulu, HI 96822 USA. MIT, Dept Phys, Cambridge, MA 02139 USA. Observ Carnegie Inst Washington, Pasadena, CA 91101 USA. Max Planck Inst Extraterr Phys, D-85741 Garching, Germany. Ohio State Univ, Dept Astron, Columbus, OH 43210 USA. Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. Case Western Reserve Univ, Dept Astron, Cleveland, OH 44106 USA. RP Adelman-McCarthy, JK (reprint author), Fermilab Natl Accelerator Lab, POB 500, Batavia, IL 60510 USA. RI Lima, Marcos/E-8378-2010; Padmanabhan, Nikhil/A-2094-2012; Margon, Bruce/B-5913-2012; Csabai, Istvan/F-2455-2012; McKay, Timothy/C-1501-2009; West, Andrew/H-3717-2014; Agueros, Marcel/K-7998-2014; Mandelbaum, Rachel/N-8955-2014; Brinchmann, Jarle/M-2616-2015; Glazebrook, Karl/N-3488-2015; OI Csabai, Istvan/0000-0001-9232-9898; Hogg, David/0000-0003-2866-9403; McKay, Timothy/0000-0001-9036-6150; Agueros, Marcel/0000-0001-7077-3664; Mandelbaum, Rachel/0000-0003-2271-1527; Brinchmann, Jarle/0000-0003-4359-8797; Glazebrook, Karl/0000-0002-3254-9044; Baldry, Ivan/0000-0003-0719-9385 NR 53 TC 538 Z9 542 U1 2 U2 28 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 OCT PY 2007 VL 172 IS 2 BP 634 EP 644 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 212HY UT WOS:000249588000005 ER PT J AU Lin, CJ Pongprueks, P Rusell Bulock, O Lindberg, SE Pehkonen, SO Jang, C Braverman, T Ho, TC AF Lin, Che-Jen Pongprueksa, Pruek Russell Bullock, O., Jr. Lindberg, Steve E. Pehkonen, Simo O. Jang, Carey Braverman, Thomas Ho, Thomas C. TI Scientific uncertainties in atmospheric mercury models II: Sensitivity analysis in the CONUS domain SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE atmospheric mercury; chemical transport modeling; sensitivity analysis; model uncertainty; CMAQ-Hg ID GASEOUS ELEMENTAL MERCURY; NORTHEAST UNITED-STATES; INITIATED REACTIONS; SURFACE EXCHANGE; DEPOSITION; TRANSPORT; SIMULATION; EMISSION; AMERICA; AIR AB In this study, we present the response of model results to different scientific treatments in an effort to quantify the uncertainties caused by the incomplete understanding of mercury science and by model assumptions in atmospheric mercury models. Two sets of sensitivity simulations were performed to assess the uncertainties using modified versions of CMAQ-Hg in a 36-km Continental United States domain. From Set 1 Experiments, it is found that the simulated mercury dry deposition is most sensitive to the gaseous elemental mercury (GEM) oxidation product assignment, and to the implemented dry deposition scheme for GEM and reactive gaseous mercury (RGM). The simulated wet deposition is sensitive to the aqueous Hg(II) sorption scheme, and to the GEM oxidation product assignment. The inclusion of natural mercury emission causes a small increase in GEM concentration but has little impact on deposition. From Set 2 Experiments, it is found that both dry and wet depositions are sensitive to mercury chemistry. Change in model mercury chemistry has a greater impact on simulated wet deposition than on dry deposition. The kinetic uncertainty of GEM oxidation by O-3 and mechanistic uncertainty of Hg(II) reduction by aqueous HO2 pose the greatest impact. Using the upper-limit kinetics of GEM-O-3 reaction or eliminating aqueous Hg(II)-HO2 reaction results in unreasonably high deposition and depletion of gaseous mercury in the domain. Removing GEM-OH reaction is not sufficient to balance the excessive mercury removal caused by eliminating the HO2 mechanism. Field measurements of mercury dry deposition, better quantification of mercury air-surface exchange and further investigation of mercury redox chemistry are needed for reducing model uncertainties and for improving the performance of atmospheric mercury models. (c) 2007 Elsevier Ltd. All rights reserved. C1 Lamar Univ, Dept Civil Engn, Beaumont, TX 77710 USA. S China Univ Technol, Sch Environm Sci & Engn, Guangzhou, Peoples R China. NOAA, Air Resources Lab, Res Triangle Pk, NC 27711 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Univ Nevada, Reno, NV 89557 USA. Natl Univ Singapore, Div Environm Sci & Engn, Singapore 117548, Singapore. US EPA, Off Air Qual Planning & Stand, Res Triangle Pk, NC 27711 USA. Lamar Univ, Dept Chem Engn, Beaumont, TX 77710 USA. RP Lin, CJ (reprint author), Lamar Univ, Dept Civil Engn, Beaumont, TX 77710 USA. EM Jerry.Lin@LAMAR.EDU RI Lin, Che-Jen/K-1808-2013; OI Lin, Che-Jen/0000-0001-5990-3093; Pehkonen, Simo/0000-0002-0362-9176 NR 58 TC 43 Z9 48 U1 1 U2 15 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 J9 ATMOS ENVIRON JI Atmos. Environ. PD OCT PY 2007 VL 41 IS 31 BP 6544 EP 6560 DI 10.1016/j.atmosenv.2007.04.030 PG 17 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 224PA UT WOS:000250457700006 ER PT J AU Simpson, M Raman, S Lundquist, JK Leach, M AF Simpson, Matthew Raman, Sethu Lundquist, Julie K. Leach, Martin TI A study of the variation of urban mixed layer heights SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE AERMET; convective boundary layer; profiler; joint URBAN (2003); signal-to-noise ratio ID CONVECTIVE BOUNDARY-LAYER; CLEAR-AIR; PROFILER; HUMIDITY; DEPTH AB The AERMET model is used to estimate hourly mixing heights during the Joint URBAN (2003) experiment in Oklahoma City, Oklahoma. AERMET is a simple 2-D model that requires only routine meteorological observations and an early morning atmospheric sounding to estimate convective boundary layer (CBL) growth. Estimated mixing heights are compared with observed mixing heights measured during Joint URBAN 2003. Observed CBL heights are derived from profiler data using a peak signal-to-noise ratio method. The method of deriving mixing heights from profiler data is validated using daily atmospheric sounding data. Estimated mixing heights using AERMET show good agreement with observations on days of varying temperature and cloud cover. AERMET was able to estimate the rapid boundary layer growth observed in the late morning and early afternoon hours during highly convective conditions. CBL heights of over 3000 in are observed in sounding data during the late afternoon. Estimated CBL heights of over 3000 in during the late afternoon agreed well with observations from the sounding and profiler data. (c) 2006 Elsevier Ltd. All rights reserved. C1 N Carolina State Univ, Dept Marine Earth & Atmospher Sci, Raleigh, NC 27695 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Simpson, M (reprint author), N Carolina State Univ, Dept Marine Earth & Atmospher Sci, Suite 240,Res 3 Bldg,1005 Capabil Dr,Centennial C, Raleigh, NC 27695 USA. EM matthew.drennan@gmail.com OI LUNDQUIST, JULIE/0000-0001-5490-2702 NR 16 TC 8 Z9 9 U1 1 U2 4 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 J9 ATMOS ENVIRON JI Atmos. Environ. PD OCT PY 2007 VL 41 IS 33 BP 6923 EP 6930 DI 10.1016/j.atmosenv.2006.08.029 PG 8 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 231GE UT WOS:000250933800001 ER PT J AU Chan, WR Nazaroff, WW Price, PN Gadgil, AJ AF Chan, Wanyu R. Nazaroff, William W. Price, Phillip N. Gadgil, Ashok J. TI Effectiveness of urban shelter-in-place-II: Residential districts SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE sorption; infiltration; air-exchange rate; toxic chemical; emergency response ID AIR CHANGE RATES; UNITED-STATES; POLLUTANT; WINDOWS; GASES; TEMPERATURE; BUILDINGS; ACCIDENTS; SORPTION; MODEL AB In the event of a short-term, large-scale toxic chemical release to the atmosphere, shelter-in-place (SIP) may be used as an emergency response to protect public health. We modeled hypothetical releases using realistic, empirical parameters to explore how key factors influence SIP effectiveness for single-family dwellings in a residential district. Four classes of factors were evaluated in this case study: (a) time scales associated with release duration, SIP implementation delay, and SIP termination; (b) building air-exchange rates, including air infiltration and ventilation; (c) the degree of sorption of toxic chemicals to indoor surfaces; and (d) the shape of the dose-response relationship for acute adverse health effects. Houses with lower air leakage are more effective shelters, and thus variability in the air leakage of dwellings is associated with varying degrees of SIP protection in a community. Sorption on indoor surfaces improves SIP effectiveness by lowering the peak indoor concentrations and reducing the amount of contamination in the indoor air. Nonlinear dose-response relationships imply substantial reduction in adverse health effects from lowering the peak exposure concentration. However, if the scenario is unfavorable for indefinite sheltering (e.g. sheltering in leaky houses for protection against a nonsorbing chemical with a linear dose-response), the community must implement SIP without delay and exit from shelter when it first becomes safe to do so. Otherwise, the community can be subjected to even greater risk than if they did not take shelter indoors. (c) 2007 Elsevier Ltd. All rights reserved. C1 Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Indoor Environm Dept, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. RP Gadgil, AJ (reprint author), Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Indoor Environm Dept, Mailstop 90R3058, Berkeley, CA 94720 USA. EM ajgadgil@lbl.gov RI Nazaroff, William/C-4106-2008; OI Nazaroff, William/0000-0001-5645-3357; Gadgil, Ashok/0000-0002-0357-9455 NR 37 TC 8 Z9 8 U1 1 U2 4 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1352-2310 J9 ATMOS ENVIRON JI Atmos. Environ. PD OCT PY 2007 VL 41 IS 33 BP 7082 EP 7095 DI 10.1016/j.atmosenv.2007.04.059 PG 14 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 231GE UT WOS:000250933800015 ER PT J AU Popescu, BFG Belak, ZR Ignatyev, K Ovsenek, N Nichol, H AF Popescu, Bogdan Florin Gh. Belak, Zachery R. Ignatyev, Konstantin Ovsenek, Nick Nichol, Helen TI Asymmetric distribution of metals in the Xenopus laevis oocyte: a synchrotron X-ray fluorescence microprobe study SO BIOCHEMISTRY AND CELL BIOLOGY-BIOCHIMIE ET BIOLOGIE CELLULAIRE LA English DT Article DE development; iron; zinc; copper; selenium ID PENTOSE-PHOSPHATE PATHWAY; RNA LOCALIZATION; MESSENGER-RNA; MITOCHONDRIAL CLOUD; ZINC; IRON; FERRITIN; EMBRYOS; OOGENESIS; SEQUENCES AB The asymmetric distribution of many components of the Xenopus oocyte, including RNA, proteins, and pigment, provides a framework for cellular specialization during development. During maturation, Xenopus oocytes also acquire metals needed for development, but apart from zinc, little is known about their distribution. Synchrotron X-ray fluorescence microprobe was used to map iron, copper, and zinc and the metalloid selenium in a whole oocyte. Iron, zinc, and copper were asymmetrically distributed in the cytoplasm, while selenium and copper were more abundant in the nucleus. A zone of high copper and zinc was seen in the animal pole cytoplasm. Iron was also concentrated in the animal pole but did not colocalize with zinc, copper, or pigment accumulations. This asymmetry of metal deposition may be important for normal development. Synchrotron X-ray fluorescence microprobe will be a useful tool to examine how metals accumulate and redistribute during fertilization and embryonic development. C1 Univ Saskatchewan, Coll Med, Dept Anat & Cell Biol, Saskatoon, SK S7N 5E5, Canada. Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. RP Nichol, H (reprint author), Univ Saskatchewan, Coll Med, Dept Anat & Cell Biol, 107 Wiggins Rd, Saskatoon, SK S7N 5E5, Canada. EM h.nichol@usask.ca NR 28 TC 9 Z9 9 U1 0 U2 3 PU NATL RESEARCH COUNCIL CANADA-N R C RESEARCH PRESS PI OTTAWA PA BUILDING M 55, OTTAWA, ON K1A 0R6, CANADA SN 0829-8211 J9 BIOCHEM CELL BIOL JI Biochem. Cell Biol. PD OCT PY 2007 VL 85 IS 5 BP 537 EP 542 DI 10.1139/O07-053 PG 6 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 226YN UT WOS:000250624500001 PM 17901895 ER PT J AU Borziak, K Zhulin, IB AF Borziak, Kirill Zhulin, Igor B. TI FIST: a sensory domain for diverse signal transduction pathways in prokaryotes and ubiquitin signaling in eukaryotes SO BIOINFORMATICS LA English DT Article ID TRANSMEMBRANE RECEPTORS; COMMON; MODULE; BACTERIA; PROTEINS; ARCHAEA; OXYGEN; TOOLS; REDOX; CHASE AB Motivation: Sensory domains that are conserved among Bacteria, Archaea and Eucarya are important detectors of common signals detected by living cells. Due to their high sequence divergence, sensory domains are difficult to identify. We systematically look for novel sensory domains using sensitive profile-based searches initiated with regions of signal transduction proteins where no known domains can be identified by current domain models. Results: Using profile searches followed by multiple sequence alignment, structure prediction and domain architecture analysis, we have identified a novel sensory domain termed FIST, which is present in signal transduction proteins from Bacteria, Archaea and Eucarya. Chromosomal proximity of FIST-encoding genes to those coding for proteins involved in amino acid metabolism and transport suggest that FIST domains bind small ligands, such as amino acids. C1 Univ Tennessee, Oak Ridge Natl Lab, Joint Inst Computat Sci, Oak Ridge, TN 37831 USA. RP Zhulin, IB (reprint author), Univ Tennessee, Oak Ridge Natl Lab, Joint Inst Computat Sci, Oak Ridge, TN 37831 USA. RI Zhulin, Igor/A-2308-2012 OI Zhulin, Igor/0000-0002-6708-5323 FU NIGMS NIH HHS [GM072285, R01 GM072285] NR 24 TC 7 Z9 7 U1 0 U2 2 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 1367-4803 J9 BIOINFORMATICS JI Bioinformatics PD OCT 1 PY 2007 VL 23 IS 19 BP 2518 EP 2521 DI 10.1093/bioinformatics/btm384 PG 4 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Computer Science, Interdisciplinary Applications; Mathematical & Computational Biology; Statistics & Probability SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Computer Science; Mathematical & Computational Biology; Mathematics GA 227QV UT WOS:000250673800002 PM 17855421 ER PT J AU Chhabra, M Prausnitz, JM Radke, CJ AF Chhabra, Mahendra Prausnitz, John M. Radke, Clayton J. TI A single-lens polarographic measurement of oxygen permeability (Dk) for hypertransmissible soft contact lenses SO BIOMATERIALS LA English DT Article DE soft contact lens; oxygen permeability; polarographic method; single-lens technique; mass-transfer resistance; hypertransmissible ID SURFACE MECHANICAL-PROPERTIES; GAS-PERMEABILITY; WATER-CONTENT; MEMBRANES; HYDROGEL; TRANSPORT; TRANSMISSIBILITY; WEAR; METHACRYLATE; BOUNDARY AB A novel polarographic apparatus is described that requires only a single soft contact lens (SCL) to ascertain oxygen permeabilities of hypertransmissible lenses. Unlike conventional methods where a range of lens thickness is needed for determining oxygen permeabilities of SCLs, the apparatus described here requires only a single-lens thickness. This is accomplished by minimizing (or completely eliminating) edge effects, boundary-layer resistances, and lens desiccation in the polarographic apparatus. By taking these effects into account, we measure reliable oxygen permeabilities of hypertransmissible SCLs (i.e., above 100 barrer). Results are reported for nine commercial SCLs ranging in permeability from 9 to 180 barrer. Measured single-lens oxygen permeabilities are in excellent agreement with those claimed by commercial manufacturers. Our new single-lens permeameter provides a reliable, efficient, and economical method for measuring oxygen permeabilities of commercial SCLs. The single-lens method offers a potential international standard for measuring oxygen permeabilities of SCLs up to 250 barrer. (c) 2007 Elsevier Ltd. All rights reserved. C1 Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA. Univ Calif Berkeley, Vis Sci Grp, Berkeley, CA 94720 USA. RP Radke, CJ (reprint author), Univ Calif Berkeley, Dept Chem Engn, 201 Gilman Hall, Berkeley, CA 94720 USA. EM chhabra@berkeley.edu NR 70 TC 16 Z9 16 U1 0 U2 7 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0142-9612 J9 BIOMATERIALS JI Biomaterials PD OCT PY 2007 VL 28 IS 30 BP 4331 EP 4342 DI 10.1016/j.biomaterials.2007.06.024 PG 12 WC Engineering, Biomedical; Materials Science, Biomaterials SC Engineering; Materials Science GA 211GF UT WOS:000249511600001 PM 17659337 ER PT J AU Lau, EY Krishnan, VV AF Lau, Edmond Y. Krishnan, V. V. TI Temperature dependence of protein-hydration hydrodynamics by molecular dynamics simulations SO BIOPHYSICAL CHEMISTRY LA English DT Article DE molecular dynamics; hydration; hydrodynamics; water; protein; diffusion ID PANCREATIC TRYPSIN-INHIBITOR; NMR RELAXATION DATA; SUPERCOOLED WATER; GLOBULAR-PROTEINS; SELF-DIFFUSION; NEUTRON-SCATTERING; AQUEOUS-SOLUTION; N-15 NMR; MYOGLOBIN; CRYSTALLOGRAPHY AB The dynamics of water molecules near the protein surface are different from those of bulk water and influence the structure and dynamics of the protein itself. To elucidate the temperature dependence hydration dynamics of water molecules, we present results from the molecular dynamic simulation of the water molecules surrounding two proteins (Carboxypeptidase inhibitor and Ovomucoid) at seven different temperatures (T=273 to 303 K, in increments of 5 K). Translational diffusion coefficients of the surface water and bulk water molecules were estimated from 2 ns molecular dynamics simulation trajectories. Temperature dependence of the estimated bulk water diffusion closely reflects the experimental values, while hydration water diffusion is retarded significantly due to the protein. Protein surface induced scaling of translational dynamics of the hydration waters is uniform over the temperature range studied, suggesting the importance protein-water interactions. (c) 2007 Elsevier B.V. All rights reserved. C1 Calif State Univ Fresno, Dept Chem, Fresno, CA 93740 USA. Lawrence Livermore Natl Lab, Biol & Biotechnol Div, Livermore, CA USA. Univ Calif Davis, Ctr Comparat Med, Dept Appl Sci, Davis, CA 95616 USA. RP Krishnan, VV (reprint author), Calif State Univ Fresno, Dept Chem, Fresno, CA 93740 USA. EM vvkrishnan@ucdavis.edu RI Krishnan, Krish/A-6859-2010 NR 73 TC 3 Z9 4 U1 0 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0301-4622 EI 1873-4200 J9 BIOPHYS CHEM JI Biophys. Chem. PD OCT PY 2007 VL 130 IS 1-2 BP 55 EP 64 DI 10.1016/j.bpc.2007.07.004 PG 10 WC Biochemistry & Molecular Biology; Biophysics; Chemistry, Physical SC Biochemistry & Molecular Biology; Biophysics; Chemistry GA 222KA UT WOS:000250293800008 PM 17720293 ER PT J AU Giachini, L Francia, F Veronesi, G Lee, DW Daldal, F Huang, S Berry, EA Cocco, T Papa, S Boscherini, F Venturoli, G AF Giachini, Lisa Francia, Francesco Veronesi, Giulia Lee, Dong-Woo Daldal, Fevzi Huang, Shar Berry, Edward A. Cocco, Tiziana Papa, Sergio Boscherini, Federico Venturoli, Giovanni TI X-ray absorption studies of Zn2+ binding sites in bacterial, avian, and bovine cytochrome bc(1) complexes SO BIOPHYSICAL JOURNAL LA English DT Article ID MITOCHONDRIAL ELECTRON-TRANSPORT; QUINOL OXIDATION SITE; IRON-SULFUR PROTEIN; REACTION CENTERS; FINE-STRUCTURE; BC1 COMPLEX; RHODOBACTER-CAPSULATUS; DOMAIN MOVEMENT; PROTON-TRANSFER; ZINC IONS AB Binding of Zn2+ has been shown previously to inhibit the ubiquinol cytochrome c oxidoreductase (cyt bc(1) complex). X-ray diffraction data in Zn-treated crystals of the avian cyt bc(1) complex identified two binding sites located close to the catalytic Q(o) site of the enzyme. One of them (Zn-01) might interfere with the egress of protons from the Qo site to the aqueous phase. Using Zn K-edge x-ray absorption fine-structure spectroscopy, we report here on the local structure of Zn-21 bound stoichiometrically to noncrystallized cyt bc(1) complexes. We performed a comparative x-ray absorption fine-structure spectroscopy study by examining avian, bovine, and bacterial enzymes. A large number of putative clusters, built by combining information from first-shell analysis and metalloprotein databases, were fitted to the experimental spectra by using ab initio simulations. This procedure led us to identify the binding clusters with high levels of confidence. In both the avian and bovine enzyme, a tetrahedral ligand cluster formed by two His, one Lys, and one carboxylic residue was found, and this ligand attribution fit the crystallographic Zn-01 location of the avian enzyme. In the chicken enzyme, the ligands were the His(121), His(268), Lys(270), and Asp(253) residues, and in the homologous bovine enzyme they were the His(121), His(267), Lys(269), and Asp(254) residues. Zn-21 bound to the bacterial cyt bc(1) complex exhibited quite different spectral features, consistent with a coordination number of 6. The best-fit octahedral cluster was formed by one His, two carboxylic acids, one Gln or Asn residue, and two water molecules. It was interesting that by aligning the crystallographic structures of the bacterial and avian enzymes, this group of residues was found located in the region homologous to that of the Zn-01 site. This cluster included the His(276), Asp(278), Glu(295), and Asn(279) residues of the cyt b subunit. The conserved location of the Zn-21 binding sites at the entrance of the putative proton release pathways, and the presence of His residues point to a common mechanism of inhibition. As previously shown for the photosynthetic bacterial reaction center, zinc would compete with protons for binding to the His residues, thus impairing their function as proton donors/acceptors. C1 Univ Bologna, Dept Biol, I-40126 Bologna, Italy. Univ Bologna, Dept Phys, I-40126 Bologna, Italy. Univ Penn, Dept Biol, Philadelphia, PA 19104 USA. Lawrence Berkeley Natl Lab, Berkeley, CA USA. Univ Bari, Dept Med Biochem Biol & Phys, I-70121 Bari, Italy. Consorzio Nazl Interuniv Sci Fis Mat, Bologna, Italy. RP Venturoli, G (reprint author), Univ Bologna, Dept Biol, I-40126 Bologna, Italy. EM ventur@alma.unibo.it RI Berry, Edward/D-5640-2013; Boscherini, Federico/I-6575-2016; OI Boscherini, Federico/0000-0002-9703-3903; Papa, Sergio/0000-0002-4417-1763; Veronesi, Giulia/0000-0001-9228-6082; Cocco, Tiziana/0000-0001-7171-3460 FU NIDDK NIH HHS [DK44842, R01 DK044842]; NIGMS NIH HHS [GM 38237, R01 GM038237] NR 75 TC 17 Z9 18 U1 0 U2 8 PU CELL PRESS PI CAMBRIDGE PA 600 TECHNOLOGY SQUARE, 5TH FLOOR, CAMBRIDGE, MA 02139 USA SN 0006-3495 J9 BIOPHYS J JI Biophys. J. PD OCT PY 2007 VL 93 IS 8 BP 2934 EP 2951 DI 10.1529/biophysj.107.110957 PG 18 WC Biophysics SC Biophysics GA 212YF UT WOS:000249632300034 PM 17573435 ER PT J AU Tyagi, R Burley, SK Swaminathan, S AF Tyagi, Rajiv Burley, Stephen K. Swaminathan, Subramanyam TI X-ray structures of two proteins belonging to Pfam DUF178 revealed unexpected structural similarity to the DUF191 Pfam family SO BMC STRUCTURAL BIOLOGY LA English DT Article ID SWISS-PROT; CRYSTALLOGRAPHY; ALIGNMENT; DATABASE; TREMBL AB Background: Pfam is a comprehensive collection of protein domains and families, with a range of well-established information including genome annotation. Pfam has two large series of functionally uncharacterized families, known as Domains of Unknown Function (DUFs) and Uncharacterized Protein Families (UPFs). Results: Crystal structures of two proteins from Deinococcus radiodurans and Streptomyces coelicolor belonging to Pfam protein family DUF178 (ID: PF02621) have been determined using Selenium-Single-wavelength Anomalous Dispersion (Se-SAD). Based on the structure, we have identified the putative function for this family of protein. Conclusion: Unexpectedly, we found that DUF178 Pfam is remarkably similar to Pfam family DUF191 suggesting that the sequence-based classification alone may not be sufficient to classify proteins into Pfam families. C1 [Tyagi, Rajiv; Swaminathan, Subramanyam] Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. [Burley, Stephen K.] SGX Pharmaceut Inc, San Diego, CA 92121 USA. RP Swaminathan, S (reprint author), Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. EM rtyagi@bnl.gov; sburley@sgxpharma.com; swami@bnl.gov FU NIGMS NIH HHS [U54 GM074945, GM074945] NR 20 TC 1 Z9 1 U1 0 U2 2 PU BIOMED CENTRAL LTD PI LONDON PA 236 GRAYS INN RD, FLOOR 6, LONDON WC1X 8HL, ENGLAND SN 1471-2237 J9 BMC STRUCT BIOL JI BMC Struct. Biol. PD OCT 1 PY 2007 VL 7 AR 62 DI 10.1186/1472-6807-7-62 PG 7 WC Biophysics SC Biophysics GA 251HM UT WOS:000252364000001 PM 17908300 ER PT J AU Chen, JJ Lan, CH Jeng, MS Xu, TF AF Chen, Juhn-Jie Lan, Chao-Ho Jeng, Ming-Shan Xu, Tengfang TI The development of fan filter unit with flow rate feedback control in a cleanroom SO BUILDING AND ENVIRONMENT LA English DT Article DE cleanroom; fan-filter unit; contamination control; energy; airflow; uniformity AB A new type of fan filter unit (FFU) systems was developed and evaluated in this study. Capable of controlling the volume airflow rate through a networked feedback control system, the innovative smart FFU systems can supply much more uniform airflow distribution at the exit of the FFUs than common FFUs that are commercially available in the market. The development of the smart FFU was described and the comparisons of exit airflow velocities between the smart FFU and other conventional FFUs were made. The measurements have shown that the velocity uniformity values of the exit airflow of the smart FFUs were less than 5.0% while the conventional FFUs showed the uniformity values in the range of 14.0-28.0%. In addition, the test results in this study demonstrate that smart FFU systems are capable of reaching preset airflow rates relatively quickly, i.e., within 5 s, and maintaining the stable airflow supply to the cleanroom. (C) 2006 Elsevier Ltd. All rights reserved. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. RP Xu, TF (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Environm Energy Technol Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM ttxu@LBL.gov NR 9 TC 8 Z9 8 U1 1 U2 1 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-1323 J9 BUILD ENVIRON JI Build. Environ. PD OCT PY 2007 VL 42 IS 10 BP 3556 EP 3561 DI 10.1016/j.buildenv.2006.10.026 PG 6 WC Construction & Building Technology; Engineering, Environmental; Engineering, Civil SC Construction & Building Technology; Engineering GA 191QH UT WOS:000248145600012 ER PT J AU Anderson, DN Fagan, DK Tinker, MA Kraft, GD Hutchenson, KD AF Anderson, D. N. Fagan, D. K. Tinker, M. A. Kraft, G. D. Hutchenson, K. D. TI A mathematical statistics formulation of the teleseismic explosion identification problem with multiple discriminants SO BULLETIN OF THE SEISMOLOGICAL SOCIETY OF AMERICA LA English DT Article AB Seismic monitoring for underground nuclear explosions answers three questions for all global seismic activity: Where is the seismic event located? What is the event source type (event identification)? If the event is an explosion, what is the yield? The answers to these questions involves processing seismometer wave-forins with propagation paths predominately in the mantle. Four discriminants commonly used to identify teleseismic events are depth from travel time, presence of long-period surface energy (m(b) vs M-S), depth from reflective phases, and polarity of first motion. The seismic theory for these discriminants is well established in the literature (see, for example, Blandford [1982] and Pomeroy et al. [1982]). However, the physical basis of each has not been formally integrated into probability models to account for statistical error and provide discriminant calculations appropriate, in general, for multidimensional event identification. This article develops a mathematical statistics formulation of these discriminants and offers a novel approach to multidimensional discrimination that is readily extensible to other discriminants. For each discriminant a probability model is formulated under a general null hypothesis of H-0: Explosion Characteristics. The veracity of the hypothesized model is measured with a p-value calculation (see Freedman et al. [1991] and Stuart et al. [1994]) that can be filtered to be approximately normally distributed and is in the range [0, 1]. A value near zero rejects Ho and a moderate to large value indicates consistency with Ho. The hypothesis test formulation ensures that seismic phenomenology is tied to the interpretation of the p-value. These p-values are then embedded into a multidiscriminant algorithm that is developed from regularized discrimination methods proposed by DiPillo (1976), Smidt and McDonald (1976), and Friedman (1989). Performance of the methods is demonstrated with 102 teleseismic events with magnitudes (m(b)) ranging from 5 to 6.5. Example p-value calculations are given for two of these events. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. Quantum Technol Sci Inc, Cocoa Beach, FL 32931 USA. RP Anderson, DN (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. NR 21 TC 10 Z9 10 U1 1 U2 3 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 OCT PY 2007 VL 97 IS 5 BP 1730 EP 1741 DI 10.1785/0120060052 PG 12 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 217EJ UT WOS:000249930900026 ER PT J AU Lengke, MF Ravel, B Fleet, ME Wanger, G Gordon, RA Southam, G AF Lengke, Maggy F. Ravel, Bruce Fleet, Michael E. Wanger, Gregory Gordon, Robert A. Southam, Gordon TI Precipitation of gold by the reaction of aqueous gold(III) chloride with cyanobacteria at 25-80 degrees C - Studied by X-ray absorption spectroscopy SO CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE LA English DT Article DE gold; X-ray absorption spectroscopy (XAS); cyanobacteria; transmission electron microscopy (TEM); precipitation; biosynthesis ID FILAMENTOUS CYANOBACTERIA; IN-VITRO; ACCUMULATION; SOLUBILITY; COMPLEXES; BACTERIA; IFEFFIT AB The mechanisms of gold precipitation by the interaction of cyanobacteria (Plectonema boryanum UTEX 485) and gold(III) chloride aqueous solutions (7.6 mmol/L final gold) have been studied at 25, 60, and 80 degrees C, using both laboratory and real-time synchrotron radiation absorption spectroscopy experiments. Addition of aqueous gold(III) chloride to the cyanobacterial culture initially promoted the precipitation of amorphous gold(l) sulfide at the cell walls and finally caused the formation of octahedral (I H) platelets (<1 to 6 mu m) of gold metal near cell surfaces and in solutions. X-ray absorption spectroscopy results confirmed that the reduction mechanism of gold(III) chloride to elemental gold by cyanobacteria involves the formation of an intermediate Au(I) species, gold(l) sulfide, with sulfur originating from cyanobacterial proteins, presumably cysteine or methionine. Although the bioreduction of gold(III) chloride to gold(l) sulfide was relatively rapid at all temperatures, the reaction rate increased with the increase in temperature. At the completion of the experiments, elemental gold was the major species present at all temperatures. C1 Univ Western Ontario, Dept Earth Sci, London, ON N6A 5B7, Canada. Argonne Natl Lab, Argonne, IL 60439 USA. Simon Fraser Univ, Burnaby, BC V5A 1S6, Canada. RP Lengke, MF (reprint author), Geomega Inc, 2995 Baseline Rd,Suite 202, Boulder, CO 80303 USA. EM maggylengke@yahoo.com RI Southam, Gordon/D-1983-2013 OI Southam, Gordon/0000-0002-8941-1249 NR 20 TC 15 Z9 15 U1 2 U2 14 PU NATL RESEARCH COUNCIL CANADA-N R C RESEARCH PRESS PI OTTAWA PA BUILDING M 55, OTTAWA, ON K1A 0R6, CANADA SN 0008-4042 J9 CAN J CHEM JI Can. J. Chem.-Rev. Can. Chim. PD OCT PY 2007 VL 85 IS 10 BP 651 EP 659 DI 10.1139/V07-024 PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 229RD UT WOS:000250820900005 ER PT J AU Sarret, G Isaure, MP Marcus, MA Harada, E Choi, YE Pairis, S Fakra, S Manceau, A AF Sarret, Geraldine Isaure, Marie-Pierre Marcus, Matthew A. Harada, Emiko Choi, Yong-Eui Pairis, Sebastien Fakra, Sirine Manceau, Alain TI Chemical forms of calcium in Ca,Zn- and Ca,Cd-containing grains excreted by tobacco trichomes SO CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE LA English DT Article DE biomineralization; detoxification; micro-XANES; micro-XRD ID CARBONATE; CADMIUM; MECHANISM; CRYSTALS; SURFACE; GROWTH; ZINC AB Tobacco (Nicotiana tabacum L. cv. Xanthi) plants exposed to toxic levels of zinc and cadmium excrete metals through their leaf trichomes (epidermal hairs) as Zn,Ca- and Cd,Ca-containing grains. Little is known about the nature and formation mechanism of these precipitates. The chemical, crystalline, and noncrystalline compositions of individual grains produced by tobacco were studied by scanning electron microscopy coupled with energy dispersive Xray analysis (SEM-EDX), micro-X-ray diffraction (mu XRD), and calcium K-edge micro X-ray absorption near edge structure (mu XANES) spectroscopy. Zinc is predominantly incorporated in calcite and cadmium in calcite and vaterite. Aragonite, which occurs occasionally, does not seem to contain trace metals. In addition to being precipitated in its three possible polymorphic forms, calcite, aragonite, and vaterite, calcium is also speciated as amorphous CaCO(3) and possibly organic Ca in some grains. Most often, a particular grain consists of two or more crystalline and noncrystalline phases. The observed variability of intra- and inter-grain elemental and phase composition suggests that this biomineralization process is not constrained by biological factors but instead results from thermodynamically and kinetically controlled reactions. This study illustrates the potential of laterally resolved X-ray synchrotron radiation techniques (mu XRD and mu XANES) to study biomineralization and metal immobilization processes in plants. C1 Univ Grenoble 1, CNRS, Environm Geochem Grp, LGIT, F-38041 Grenoble 9, France. Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Kangwon Natl Univ, Coll Forest Sci, Div Forest Resources, Chunchon 200701, South Korea. Inst Neel, CNRS UJF, Dept Mat Condensee, F-38042 Grenoble 9, France. RP Sarret, G (reprint author), Univ Grenoble 1, CNRS, Environm Geochem Grp, LGIT, BP 53, F-38041 Grenoble 9, France. EM geraldine.sarret@ujf-grenoble.fr RI Sarret, Geraldine/I-2797-2016; OI Harada, Emiko/0000-0002-8479-8034 NR 18 TC 15 Z9 16 U1 3 U2 14 PU CANADIAN SCIENCE PUBLISHING, NRC RESEARCH PRESS PI OTTAWA PA 1200 MONTREAL ROAD, BUILDING M-55, OTTAWA, ON K1A 0R6, CANADA SN 0008-4042 J9 CAN J CHEM JI Can. J. Chem.-Rev. Can. Chim. PD OCT PY 2007 VL 85 IS 10 BP 738 EP 746 DI 10.1139/V07-076 PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 229RD UT WOS:000250820900015 ER PT J AU Kelly, ME Coupal, DJ Beavis, RC Schultke, E Romanchuk, K Juurlink, BHJ Zhong, Z Chapman, LD AF Kelly, Michael E. Coupal, Dustin J. Beavis, R. Cole Schultke, Elisabeth Romanchuk, Kenneth Juurlink, Bernhard H. J. Zhong, Zhong Chapman, L. Dean TI Diffraction-enhanced imaging of a porcine eye SO CANADIAN JOURNAL OF OPHTHALMOLOGY-JOURNAL CANADIEN D OPHTALMOLOGIE LA English DT Article DE diffraction enhanced imaging; eye; synchrotron ID BREAST-CANCER SPECIMENS; SYNCHROTRON-RADIATION; ARTICULAR-CARTILAGE; RADIOGRAPHY AB Background: Diffraction-enhanced imaging (DEI) is a synchrotron-based x-ray imaging technique that has dramatically improved contrast over standard x-ray imaging techniques. It is possible to acquire images that analyze the x-ray refraction and the apparent absorption (elimination of small-angle scattering) of the object. Methods: Three formalin-fixed porcine eyes were studied at the National Synchrotron Light Source using DEL Conventional absorption-type radiography was conducted for comparison. Results: Conventional absorption radiography did not yield significant detail of the eye anatomy. DEI showed excellent characterization of many ocular structures. The cornea, iris, lens, retina, optic nerve, as well as choroidal vasculature and the ampullae of the vortex veins could all be visualized. C1 Cleveland Clin, Dept Neurosurg, Sect Cerebrovasc & Endovcasc Neurosurg, Cleveland, OH 44195 USA. Univ Saskatchewan, Pasqua Hosp, Dept Ophthalmol, Regina, SK, Canada. Univ Saskatchewan, Royal Univ Hosp, Div Orthopaed Surg, Saskatoon, SK, Canada. Univ Saskatchewan, Dept Anat & Cell Biol, Saskatoon, SK, Canada. Univ Calgary, Dept Ophthalmol, Calgary, AB, Canada. Brookhaven Natl Lab, Natl Synchrotron Light Source Dept, Upton, NY 11973 USA. RP Kelly, ME (reprint author), Cleveland Clin, Dept Neurosurg, Sect Cerebrovasc & Endovcasc Neurosurg, 9500 Euclid Ave,S80, Cleveland, OH 44195 USA. EM kellym@ccf.org RI Schultke, Elisabeth/M-3959-2013; Chapman, Dean/I-6168-2013 OI Chapman, Dean/0000-0001-6590-4156 NR 11 TC 6 Z9 6 U1 0 U2 4 PU CANADIAN OPHTHAL SOC PI OTTAWA PA 1525 CARLING AVE SUITE 610, OTTAWA, ONTARIO K1Z 8R9, CANADA SN 0008-4182 J9 CAN J OPHTHALMOL JI Can. J. Opthalmol.-J. Can. Opthalmol. PD OCT PY 2007 VL 42 IS 5 BP 731 EP 733 DI 10.3129/canjophthalmol.i07-132 PG 3 WC Ophthalmology SC Ophthalmology GA 221VW UT WOS:000250256500015 PM 17823643 ER PT J AU Gierszal, KP Jaroniec, M Liang, CD Dai, S AF Gierszal, Kamil P. Jaroniec, Mietek Liang, Chengdu Dai, Sheng TI Electron microscopy and nitrogen adsorption studies of film-type carbon replicas with large pore volume synthesized by using colloidal silica and SBA-15 as templates SO CARBON LA English DT Article ID MESOPOROUS CARBONS; SIZE ANALYSIS; STRUCTURAL-PROPERTIES; NANOPOROUS CARBONS; MOLECULAR-SIEVES; POROUS CARBON; SURFACE; NANOPARTICLES; FABRICATION; ZEOLITE AB Mesoporous carbons synthesized by the film-type replication of colloidal silica and SBA-15 templates are studied by electron microscopy and nitrogen adsorption. This synthesis strategy involves the formation of thin carbon film on the pore walls of these templates using resorcinol-crotonaldehyde polymer as carbon precursor. For the silica templates consisting of 20-80 nm colloids this synthesis affords carbons with extremely large pore volumes (5-9 cm(3)/g) and uniform spherical pores reproducing the size of the colloids used. (c) 2007 Elsevier Ltd. All rights reserved. C1 Kent State Univ, Dept Chem, Kent, OH 44242 USA. Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. RP Jaroniec, M (reprint author), Kent State Univ, Dept Chem, Kent, OH 44242 USA. EM jaroniec@kent.edu; dais@ornl.gov RI Jaroniec, Mietek/A-9733-2008; Liang, Chengdu/G-5685-2013; Dai, Sheng/K-8411-2015 OI Jaroniec, Mietek/0000-0002-1178-5611; Dai, Sheng/0000-0002-8046-3931 NR 34 TC 14 Z9 14 U1 0 U2 8 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 OCT PY 2007 VL 45 IS 11 BP 2171 EP 2177 DI 10.1016/j.carbon.2007.06.053 PG 7 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 220VR UT WOS:000250185900007 ER PT J AU Zhu, MY Wang, JJ Holloway, BC Outlaw, RA Zhao, X Hou, K Shutthanandan, V Manos, DM AF Zhu, Mingyao Wang, Jianjun Holloway, Brian C. Outlaw, R. A. Zhao, Xin Hou, Kun Shutthanandan, V. Manos, Dennis M. TI A, mechanism for carbon nanosheet formation SO CARBON LA English DT Article ID CHEMICAL-VAPOR-DEPOSITION; ELECTRIC-FIELD; GRAPHITE SHEETS; NANOTUBES; GROWTH; SINGLE; SCATTERING; ENERGIES; DEVICES; FILMS AB The growth, structure and properties of a two-dimensional carbon nanostructure-carbon nanosheet produced by radio frequency plasma enhanced chemical vapor deposition have been investigated. The effects of deposition parameters on the structure and properties of carbon nanosheets were also investigated. A growth model has been described proposing that atomically thin graphene sheets result from a balance between deposition through surface diffusion and etching by atomic hydrogen, and that the observed vertical orientation of these sheets results from the interaction of the plasma electric field with their anisotropic polarizability. (c) 2007 Elsevier Ltd. All rights reserved. C1 Coll William & Mary, Dept Phys, Williamsburg, VA 23187 USA. Coll William & Mary, Dept Appl Sci, Williamsburg, VA 23187 USA. Luna Innovat, Luna NanoWorks Div, Danville, VA 24543 USA. Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Zhu, MY (reprint author), Coll William & Mary, Dept Phys, Williamsburg, VA 23187 USA. EM mxzhux@wm.edu NR 34 TC 148 Z9 150 U1 20 U2 99 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 OCT PY 2007 VL 45 IS 11 BP 2229 EP 2234 DI 10.1016/j.carbon.2007.06.017 PG 6 WC Chemistry, Physical; Materials Science, Multidisciplinary SC Chemistry; Materials Science GA 220VR UT WOS:000250185900014 ER PT J AU Lubitz, W Tumas, W AF Lubitz, Wolfgang Tumas, William TI Hydrogen: An overview SO CHEMICAL REVIEWS LA English DT Editorial Material C1 Max Planck Inst Bioanorganische Chem, Mulheim, Germany. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Lubitz, W (reprint author), Max Planck Inst Bioanorganische Chem, Mulheim, Germany. NR 0 TC 219 Z9 224 U1 4 U2 42 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 OCT PY 2007 VL 107 IS 10 BP 3900 EP 3903 DI 10.1021/cr050200z PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 215WO UT WOS:000249839900002 PM 17927154 ER PT J AU Borup, R Meyers, J Pivovar, B Kim, YS Mukundan, R Garland, N Myers, D Wilson, M Garzon, F Wood, D Zelenay, P More, K Stroh, K Zawodzinski, T Boncella, J McGrath, JE Inaba, M Miyatake, K Hori, M Ota, K Ogumi, Z Miyata, S Nishikata, A Siroma, Z Uchimoto, Y Yasuda, K Kimijima, KI Iwashita, N AF Borup, Rod Meyers, Jeremy Pivovar, Bryan Kim, Yu Seung Mukundan, Rangachary Garland, Nancy Myers, Deborah Wilson, Mahlon Garzon, Fernando Wood, David Zelenay, Piotr More, Karren Stroh, Ken Zawodzinski, Tom Boncella, James McGrath, James E. Inaba, Minoru Miyatake, Kenji Hori, Michio Ota, Kenichiro Ogumi, Zempachi Miyata, Seizo Nishikata, Atsushi Siroma, Zyun Uchimoto, Yoshiharu Yasuda, Kazuaki Kimijima, Ken-ichi Iwashita, Norio TI Scientific aspects of polymer electrolyte fuel cell durability and degradation SO CHEMICAL REVIEWS LA English DT Review ID PROTON-EXCHANGE-MEMBRANE; OXYGEN-REDUCTION REACTION; ORIENTED PYROLYTIC-GRAPHITE; SULFURIC-ACID-SOLUTION; BORON-DOPED DIAMOND; CATALYST SUPPORT MATERIAL; FE-BASED CATALYSTS; SULFONATED POLY(ARYLENE ETHER); SODIUM TUNGSTEN BRONZES; RF-SPUTTERING TECHNIQUE C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Texas, Austin, TX 78712 USA. US DOE, Washington, DC 20585 USA. Argonne Natl Lab, Argonne, IL 60439 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Case Western Reserve Univ, Cleveland, OH 44120 USA. Virginia Tech Univ, Blacksburg, VA 24061 USA. Doshisha Univ, Kyoto 6100321, Japan. Univ Yamanashi, Yamanashi 4008510, Japan. Daido Inst Technol, Aichi 4578530, Japan. Yokohama Natl Univ, Hodogaya Ku, Yokohama, Kanagawa 2408501, Japan. Kyoto Univ, Nishikyo Ku, Kyoto 6158510, Japan. New Energy & Ind Technol Dev Org, Kawasaki, Kanagawa 2128554, Japan. Tokyo Inst Technol, Meguro Ku, Tokyo 1528552, Japan. AIST, Tokyo 1350064, Japan. Kyoto Univ, Sakyo Ku, Kyoto 6068501, Japan. RP Borup, R (reprint author), Los Alamos Natl Lab, MPA-11,MS J579,POB 1663, Los Alamos, NM 87545 USA. EM borup@lanl.gov RI Meyers, Jeremy/B-8814-2008; Kenji, Miyatake/B-4436-2012; More, Karren/A-8097-2016; OI More, Karren/0000-0001-5223-9097; Wilson, Mahlon/0000-0002-5944-2650; Mukundan, Rangachary/0000-0002-5679-3930; Wood, David/0000-0002-2471-4214; Boncella, James/0000-0001-8393-392X NR 626 TC 1593 Z9 1608 U1 132 U2 915 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 OCT PY 2007 VL 107 IS 10 BP 3904 EP 3951 DI 10.1021/cr050182l PG 48 WC Chemistry, Multidisciplinary SC Chemistry GA 215WO UT WOS:000249839900003 PM 17850115 ER PT J AU Palo, DR Dagle, RA Holladay, JD AF Palo, Daniel R. Dagle, RobelI A. Holladay, Jamie D. TI Methanol steam reforming for hydrogen production SO CHEMICAL REVIEWS LA English DT Review ID FUEL-CELL SYSTEMS; PALLADIUM MEMBRANE REACTOR; CATALYTIC PARTIAL-OXIDATION; HIGH-PURITY HYDROGEN; PACKED-BED REACTORS; PLATE-FIN REFORMER; WATER-GAS SHIFT; ZN-AL CATALYSTS; SUPERCRITICAL WATER; MICROCHANNEL REACTOR C1 Pacific NW Natl Lab, Microproducts Breakthrough Inst, Corvallis, OR 97330 USA. Pacific NW Natl Lab, Richland, WA 99354 USA. RP Palo, DR (reprint author), 1000 NE Circle Blvd,Bldg 11,Suite 101, Corvallis, OR 97330 USA. EM dpalo@pnl.gov NR 299 TC 356 Z9 360 U1 36 U2 215 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 OCT PY 2007 VL 107 IS 10 BP 3992 EP 4021 DI 10.1021/cr050198b PG 30 WC Chemistry, Multidisciplinary SC Chemistry GA 215WO UT WOS:000249839900005 PM 17845061 ER PT J AU Ockwig, NW Nenoff, TM AF Ockwig, Nathan W. Nenoff, Tina M. TI Membranes for hydrogen separation SO CHEMICAL REVIEWS LA English DT Review ID GAS-TRANSPORT PROPERTIES; CHEMICAL-VAPOR-DEPOSITION; MOLECULAR-SIEVE MEMBRANES; NANOPOROUS CARBON MEMBRANES; ION-EXCHANGE MEMBRANES; MICROPOROUS SILICA MEMBRANES; BULK METALLIC-GLASS; NI ALLOY MEMBRANES; MFI-TYPE ZEOLITE; STRUCTURE PERMEABILITY RELATIONSHIPS C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Nenoff, TM (reprint author), Sandia Natl Labs, POB 5800,MS 1415, Albuquerque, NM 87185 USA. EM tmnenof@sandia.gov NR 459 TC 361 Z9 364 U1 24 U2 226 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 OCT PY 2007 VL 107 IS 10 BP 4078 EP 4110 DI 10.1021/cr0501792 PG 33 WC Chemistry, Multidisciplinary SC Chemistry GA 215WO UT WOS:000249839900008 PM 17927157 ER PT J AU Struzhkin, VV Militzer, B Mao, WL Mao, HK Hemley, RJ AF Struzhkin, Viktor V. Militzer, Burkhard Mao, Wendy L. Mao, Ho-Kwang Hemley, Russell J. TI Hydrogen storage in molecular clathrates SO CHEMICAL REVIEWS LA English DT Review ID INELASTIC NEUTRON-SCATTERING; NUCLEAR MAGNETIC-RESONANCE; SMALL DODECAHEDRAL CAGE; HEAT-FLOW CALORIMETER; STRUCTURE-II HYDROGEN; THERMODYNAMIC STABILITY; THERMAL-CONDUCTIVITY; HIGH-PRESSURE; TETRAHYDROFURAN HYDRATE; LOW-TEMPERATURES C1 Carnegie Inst Sci, Geophys Lab, Washington, DC 20015 USA. Los Alamos Natl Lab, Manuel Lujan Jr Neutron Scattering Ctr, Los Alamos, NM 87545 USA. RP Struzhkin, VV (reprint author), Carnegie Inst Sci, Geophys Lab, 5251 Broad Branch Rd NW, Washington, DC 20015 USA. EM v.struzhkin@gl.ciw.edu RI Mao, Wendy/D-1885-2009; Struzhkin, Viktor/J-9847-2013 OI Struzhkin, Viktor/0000-0002-3468-0548 NR 133 TC 212 Z9 214 U1 8 U2 65 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 OCT PY 2007 VL 107 IS 10 BP 4133 EP 4151 DI 10.1021/cr050183d PG 19 WC Chemistry, Multidisciplinary SC Chemistry GA 215WO UT WOS:000249839900010 PM 17850164 ER PT J AU Kubas, GJ AF Kubas, Gregory J. TI Fundamentals of H-2 binding and reactivity on transition metals underlying hydrogenase function and H-2 production and storage SO CHEMICAL REVIEWS LA English DT Review ID INELASTIC-NEUTRON-SCATTERING; FE-ONLY HYDROGENASE; RUTHENIUM DIHYDROGEN COMPLEXES; RAY CRYSTAL-STRUCTURE; H-H BOND; ISOTOPE-EXCHANGE-REACTIONS; CLUSTER-FREE HYDROGENASE; NICKEL-IRON HYDROGENASE; AB-INITIO CALCULATIONS; DOT-CENTER-DOT C1 Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. RP Kubas, GJ (reprint author), Los Alamos Natl Lab, Div Chem, POB 1663, Los Alamos, NM 87545 USA. NR 710 TC 495 Z9 497 U1 19 U2 185 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 OCT PY 2007 VL 107 IS 10 BP 4152 EP 4205 DI 10.1021/cr050197j PG 54 WC Chemistry, Multidisciplinary SC Chemistry GA 215WO UT WOS:000249839900011 PM 17927158 ER PT J AU Guan, YH Kuo, WL Stilwell, JL Takano, H Lapuk, AV Fridlyand, J Mao, JH Yu, M Miller, MA Santos, JL Kalloger, SE Carlson, JW Ginzinger, DG Celniker, SE Mills, GB Huntsman, DG Gray, JW AF Guan, Yinghui Kuo, Wen-Lin Stilwell, Jackie L. Takano, Hirokuni Lapuk, Anna V. Fridlyand, Jane Mao, Jian-Hua Yu, Mamie Miller, Melinda A. Santos, Jennifer L. Kalloger, Steve E. Carlson, Joseph W. Ginzinger, David G. Celniker, Susan E. Mills, Gordon B. Huntsman, David G. Gray, Joe W. TI Amplification of PVT1 contributes to the pathophysiology of ovarian and breast cancer SO CLINICAL CANCER RESEARCH LA English DT Article ID C-MYC ONCOGENE; GENE; TRANSLOCATIONS; LOCUS; TRANSCRIPTION; BIOGENESIS; LYMPHOMA; TUMORS; CELL AB Purpose: This study was designed to elucidate the role of amplification at 8q24 in the pathophysiology of ovarian and breast cancer because increased copy number at this locus is one of the most frequent genomic abnormalities in these cancers. Experimental Design: To accomplish this, we assessed the association of amplification at 8q24 with outcome in ovarian cancers using fluorescence in situ hybridization to tissue microarrays and measured responses of ovarian and breast cancer cell lines to specific small interfering RNAs against the oncogene MYC and a putative noncoding RNA, PVT1, both of which map to 8q24. Results: Amplification of 8q24 was associated with significantly reduced survival duration. In addition, small interfering RNA - mediated reduction in either PVT1 or MYC expression inhibited proliferation in breast and ovarian cancer cell lines in which they were both amplified and overexpressed but not in lines in which they were not amplified/overexpressed. Inhibition of PVT1 expression also induced a strong apoptotic response in cell lines in which it was overexpressed but not in lines in which it was not amplified/overexpressed. Inhibition of MYC, on the other hand, did not induce an apoptotic response in cell lines in which MYC was amplified and overexpressed. Conclusions: These results suggest that MYC and PVT1 contribute independently to ovarian and breast pathogenesis when overexpressed because of genomic abnormalities. They also suggest that PVT1-mediated inhibition of apoptosis may explain why amplification of 8q24 is associated with reduced survival duration in patients treated with agents that act through apoptotic mechanisms. C1 Div Life Sci, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. Univ Calif San Francisco, Dept Lab Med, San Francisco, CA 94143 USA. Univ Calif San Francisco, Inst Canc Res, San Francisco, CA 94143 USA. Trubion Pharmaceut, Seattle, WA USA. Jikei Univ, Sch Med, Dept Obstet & Gynecol, Tokyo, Japan. Genentech Inc, San Francisco, CA USA. Univ British Columbia, Ctr Translat & Appl Gen, Vancouver, BC V5Z 1M9, Canada. Univ British Columbia, British Columbia Canc Agcy, Cheryl Brown Ovarian Canc Outcomes Unit, Vancouver, BC V5Z 1M9, Canada. Univ British Columbia, Vancouver Gen Hosp, British Columbia Canc Agcy, Dept Pathol, Vancouver, BC V5Z 1M9, Canada. Univ Texas, MD Anderson Canc Ctr, Dept Mol Therapeut, Houston, TX 77030 USA. RP Gray, JW (reprint author), Div Life Sci, Lawrence Berkeley Natl Lab, One Cyclotron Rd,MS977-225A, Berkeley, CA 94720 USA. EM jwgray@lbl.gov FU NCI NIH HHS [CA58207, CA64602, CA83639] NR 31 TC 130 Z9 139 U1 2 U2 11 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 OCT 1 PY 2007 VL 13 IS 19 BP 5745 EP 5755 DI 10.1158/1078-0432.CCR-06-2882 PG 11 WC Oncology SC Oncology GA 218CN UT WOS:000249993700013 PM 17908964 ER PT J AU Lignell, DO Chen, JH Smith, PJ Lu, T Law, CK AF Lignell, David O. Chen, Jacqueline H. Smith, Philip J. Lu, Tianfeng Law, Chung K. TI The effect of flame structure on soot formation and transport in turbulent nonpremixed flames using direct numerical simulation SO COMBUSTION AND FLAME LA English DT Article DE soot; direct numerical simulation; nonpremixed flame; turbulent combustion ID JET DIFFUSION FLAMES; REDUCED MECHANISMS; PREMIXED FLAMES; COMBUSTION; CHEMISTRY; COUNTERFLOW; REDUCTION; INCEPTION; SURFACES; ETHYLENE AB Direct numerical simulations of a two-dimensional, nonpremixed, sooting ethylene flame are performed to examine the effects of soot-flame interactions and transport in an unsteady configuration. A 15-step, 19-species (with 10 quasi-steady species) chemical mechanism was used for gas chemistry, with a two-moment, four-step, semiempirical soot model. Flame curvature is shown to result in flames that move, relative to the fluid, either toward or away from rich soot formation regions, resulting in soot being essentially convected into or away from the flame. This relative motion of flame and soot results in a wide spread of soot in the mixture fraction coordinate. In regions where the center of curvature of the flame is in the fuel stream, the flame motion is toward the fuel and soot is located near the flame at high temperature and hence has higher reaction rates and radiative heat fluxes. Soot-flame breakthrough is also observed in these regions. Fluid convection and flame displacement velocity relative to fluid convection are of similar magnitudes while thermophoretic diffusion is 5-10 times lower. These results emphasize the importance of both unsteady and multidimensional effects on soot formation and transport in turbulent flames. (c) 2007 The Combustion Institute. Published by Elsevier Inc. All rights reserved. C1 Univ Utah, Dept Chem Engn, Salt Lake City, UT 84098 USA. Sandia Natl Labs, Combust Res Facil, Reacting Flow Res Dept, Livermore, CA 94551 USA. Princeton Univ, Dept Mech & Aerosp Engn, Princeton, NJ 08540 USA. RP Lignell, DO (reprint author), Univ Utah, Dept Chem Engn, Salt Lake City, UT 84098 USA. EM doligne@sandia.gov RI Law, Chung /E-1206-2013; Lu, Tianfeng/D-7455-2014 OI Lu, Tianfeng/0000-0001-7536-1976 NR 49 TC 71 Z9 71 U1 2 U2 14 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 OCT PY 2007 VL 151 IS 1-2 BP 2 EP 28 DI 10.1016/j.combustflame.2007.05.013 PG 27 WC Thermodynamics; Energy & Fuels; Engineering, Multidisciplinary; Engineering, Chemical; Engineering, Mechanical SC Thermodynamics; Energy & Fuels; Engineering GA 213AY UT WOS:000249639500002 ER PT J AU Bennett, M Nordman, B AF Bennett, Mike Nordman, Bruce TI Ethernet goes green SO COMMUNICATIONS NEWS LA English DT Editorial Material C1 Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Bennett, M (reprint author), Lawrence Berkeley Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU NELSON PUBLISHING PI NOKOMIS PA 2500 NORTH TAMIAMI TRAIL, NOKOMIS, FL 34275-3482 USA SN 0010-3632 J9 COMMUN NEWS JI Commun. News PD OCT PY 2007 VL 44 IS 10 BP 48 EP 48 PG 1 WC Telecommunications SC Telecommunications GA 223UW UT WOS:000250398900020 ER PT J AU Fillaux, C Berthet, JC Conradson, SD Guilbaud, P Guillaumont, D Hennig, C Moisy, P Roques, J Simoni, E Shuh, DK Tyliszczak, T Castro-Rodriguez, I Den Auwer, C AF Fillaux, Clara Berthet, Jean-Claude Conradson, Steven D. Guilbaud, Philippe Guillaumont, Dominique Hennig, C. Moisy, Philippe Roques, Jerome Simoni, Eric Shuh, David K. Tyliszczak, Tolek Castro-Rodriguez, Ingrid Den Auwer, Christophe TI Combining theoretical chemistry and XANES multi-edge experiments to probe actinide valence states SO COMPTES RENDUS CHIMIE LA English DT Review DE XANES; EXAFS; actinides; quantum chemistry; molecular dynamics ID MOLECULAR-DYNAMICS SIMULATIONS; AQUEOUS-SOLUTION; L-III; URANYL; HYDRATION; UO2(2+); COMPLEXATION; SPECTROSCOPY; DERIVATIVES; CATION AB Both structural and electronic properties of the actinide cations are of fundamental interest in order to describe the intramolecular interactions. The 5f and 6d orbitals are the first partially or totally vacant states of these elements and their properties reflect the nature of the actinide-ligand bond. Because of its chemical and orbital selectivities, XANES spectroscopy is useful to probe the actinides' frontier orbitals and then understand the cation reactivity toward chelating ligands. The actinicle L-3 edge contains structural information on the coordination polyhedron. because of important scattering features. But very little electronic information can be extracted, due to the short core-hole lifetime, broadening the edge signal. On the other hand, the actinide M-4.5 edges provide a better resolution and allow one to achieve electronic and structural information. Furthermore, coupling simulations of the experimental spectra and quantum chemical calculations lead to quantitative information such as the determination of the actinide coordination sphere and its effective charge. C1 CEA Valrho Marcoule, DEN DRCP SCPS, F-30207 Atalante, Bagnols Sur Cez, France. CEA Saclay, DSM DRECAM SCM, F-91191 Gif Sur Yvette, France. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Forschungszentrum Rossendorf, ROBL, ESRF, F-38043 Grenoble, France. Inst Phys Nucl, F-91405 Orsay, France. Lawrence Berkeley Natl Lab, Berkeley, CA USA. RP Den Auwer, C (reprint author), CEA Valrho Marcoule, DEN DRCP SCPS, F-30207 Atalante, Bagnols Sur Cez, France. EM christophe.denauwer@cea.fr RI The Rossendorf Beamline at ESRF, ROBL/A-2586-2011; Scheinost, Andreas/D-2275-2010; Guilbaud, Philippe/J-6455-2015; Guillaumont, Dominique/H-2508-2015; Moisy, Philippe/H-2477-2015 OI Guilbaud, Philippe/0000-0001-9777-8326; Guillaumont, Dominique/0000-0002-9329-5623; Moisy, Philippe/0000-0002-9331-0846 NR 32 TC 18 Z9 18 U1 1 U2 29 PU ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER PI PARIS PA 23 RUE LINOIS, 75724 PARIS, FRANCE SN 1631-0748 J9 CR CHIM JI C. R. Chim. PD OCT-NOV PY 2007 VL 10 IS 10-11 BP 859 EP 871 DI 10.1016/j.crci.2006.12.012 PG 13 WC Chemistry, Multidisciplinary SC Chemistry GA 236SF UT WOS:000251323000003 ER PT J AU Hummel, W Puigdomenech, I Rao, LF Tochiyama, O AF Hummel, Wolfgang Puigdomenech, Ignasi Rao, Linfeng Tochiyama, Osamu TI Thermodynamic data of compounds and complexes of U, Np, Pu and Am with selected organic ligands SO COMPTES RENDUS CHIMIE LA English DT Review DE thermodynamics; database; equilibrium constants; organic ligands; actinides; radioactive waste ID DEGRADATION; EDTA AB A comprehensive literature review of thermodynamic data for compounds and complexes of actinides with oxalate, citrate, ethylenediaminetetraacetate (edta) and alpha-isosaccharinate has been carried out within the scope of the Thermodynamic Data Base project of the Organisation for Economic Co-operation and Development - Nuclear Energy Agency (OECD/NEA). Reliable values could be selected mainly for Am(111), Np(V) and U(VI) complexes, whereas serious data gaps were found for the tetravalent actinides. The redox states U(111), U(V), Pu(V), Am(V), Np(VI), Pu(VI) and Am(VI) are unstable in the presence of the selected organic ligands. Missing or unreliable data in these unstable redox states are of no importance from the viewpoint of application in environmental modelling studies. C1 Paul Scherrer Inst, Lab Waste Management, CH-5232 Villigen, Switzerland. Swedish Nucl Fuel & Waste Management Co SKB, S-10240 Stockholm, Sweden. Univ Calif Berkeley, Lawrence Berkeley Lab, Glenn T Seaborg Ctr, Berkeley, CA 94720 USA. Tohoku Univ, Inst Multidisciplinary Res Adv Mat, Sendai, Miyagi 9808577, Japan. RP Hummel, W (reprint author), Paul Scherrer Inst, Lab Waste Management, CH-5232 Villigen, Switzerland. EM wolfgang.hummel@psi.ch NR 29 TC 12 Z9 12 U1 3 U2 23 PU ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER PI PARIS PA 23 RUE LINOIS, 75724 PARIS, FRANCE SN 1631-0748 J9 CR CHIM JI C. R. Chim. PD OCT-NOV PY 2007 VL 10 IS 10-11 BP 948 EP 958 DI 10.1016/j.crci.2007.03.012 PG 11 WC Chemistry, Multidisciplinary SC Chemistry GA 236SF UT WOS:000251323000011 ER PT J AU Rotenberg, B Marry, V Dufreche, JF Malikova, N Giffaut, E Turq, P AF Rotenberg, Benjamin Marry, Virginie Dufreche, Jean-Francois Malikova, Natalie Giffaut, Eric Turq, Pierre TI Modelling water and ion diffusion in clays: A multiscale approach SO COMPTES RENDUS CHIMIE LA English DT Review DE montmorillonite clay; ion transport; multiscale; nuclear waste ID INTERLAYER STRUCTURE; MICROSCOPIC SIMULATION; COMPUTER-SIMULATIONS; MONTMORILLONITE; DYNAMICS; TRANSPORT; POTENTIALS; HYDRATION AB The safety analysis of geological disposal of nuclear waste relies on a comprehensive understanding of the structural and dynamic properties of the geological medium hosting the repository. In this context, a vast research program has been undertaken on the migration of radionuclides (mainly ions) in clays, under the supervision of ANDRA. In parallel to the experimental determination of empirical parameters describing the transport at the macroscopic scale, some theoretical efforts have been made to base such a description on a microscopic view of the transport mechanisms. We review here some of the theoretical approaches developed up to now in our research group, with a particular focus on their complementarity. To cite this article: B. Rotenberg et al., C R. Chimie 10 (2007). (c) 2007 Academie des sciences. Published by Elsevier Masson SAS. All rights reserved. C1 Univ Paris 06, CNRS, UMR 7612, Lab Liquides Ion & Interfaces Chargees, F-75005 Paris, France. ANDRA, F-92298 Chatenay Malabry, France. IPNS Div, Argonne Natl Lab, Argonne, IL 60611 USA. CEA Saclay, Lab Leon Brillouin, F-91191 Gif Sur Yvette, France. RP Rotenberg, B (reprint author), Univ Paris 06, CNRS, UMR 7612, Lab Liquides Ion & Interfaces Chargees, 4 Pl Jessieu, F-75005 Paris, France. EM rotenber@ccr.jussieu.fr; marry@ccr.jussieu.fr; dufreche@ccr.jussieu.ft; malikova@anl.gov; eric.giffaut@andra.fr; pt@ccr.jussieu.fr RI Rotenberg, Benjamin/C-5490-2014 OI Rotenberg, Benjamin/0000-0001-5198-4650 NR 32 TC 22 Z9 22 U1 1 U2 21 PU ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER PI PARIS PA 23 RUE LINOIS, 75724 PARIS, FRANCE SN 1631-0748 J9 CR CHIM JI C. R. Chim. PD OCT-NOV PY 2007 VL 10 IS 10-11 BP 1108 EP 1116 DI 10.1016/j.crci.2007.02.009 PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 236SF UT WOS:000251323000026 ER PT J AU Schmugge, SJ Jayaram, S Shin, MC Tsap, LV AF Schmugge, Stephen J. Jayaram, Sriram Shin, Min C. Tsap, Leonid V. TI Objective evaluation of approaches of skin detection using ROC analysis SO COMPUTER VISION AND IMAGE UNDERSTANDING LA English DT Article DE skin detection; colorspace transformation; empirical evaluation ID FACE DETECTION; COLOR; DATABASE; IMAGES; MODELS AB Skin detection is an important indicator of human presence and actions in many domains, including interaction, interfaces and security. It is commonly performed in three steps: transforming the pixel color to a non-RGB colorspace, dropping the illuminance component of skin color, and classifying by modeling the skin color distribution. In this paper, we evaluate the effect of these three steps on the skin detection performance. The importance of this study is a new comprehensive colorspace and color modeling testing methodology that would allow for making the best choices for skin detection. Combinations of nine colorspaces, the presence or the absence of the illuminance component, and the two color modeling approaches are compared for different settings (indoor or outdoor) and modeling parameters (the histogram size). The performance is measured by using a receiver operating characteristic (ROC) curve on a large dataset of 845 images (consisting more than 18.6 million pixels) with manual ground truth. The results reveal that (1) colorspace transformations can improve performance in certain instances, (2) the absence of the illuminance component decreases performance, and (3) skin color modeling has a greater impact than colorspace transformation. We found that the best performance was obtained on indoor images by transforming the pixel color to the HSI or SCT colorspaces, keeping the illuminance component, and modeling the color with the histogram approach using a larger size distribution. (C) 2007 Elsevier Inc. All rights reserved. C1 Univ N Carolina, Dept Comp Sci, Charlotte, NC 28223 USA. Lawrence Livermore Natl Lab, Dept Elect Engn, Syst Res Grp, Livermore, CA 94551 USA. RP Shin, MC (reprint author), Univ N Carolina, Dept Comp Sci, 9201 Univ City Blvd, Charlotte, NC 28223 USA. EM sjschmug@uncc.edu; mcshin@uncc.edu; tsap@llnl.gov NR 29 TC 18 Z9 18 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 1077-3142 J9 COMPUT VIS IMAGE UND JI Comput. Vis. Image Underst. PD OCT-NOV PY 2007 VL 108 IS 1-2 BP 41 EP 51 DI 10.1016/j.cviu.2006.10.009 PG 11 WC Computer Science, Artificial Intelligence; Engineering, Electrical & Electronic SC Computer Science; Engineering GA 218RW UT WOS:000250033600005 ER PT J AU Habbersett, RC Naivar, MA Woods, TA Goddard, GR Graves, SW AF Habbersett, Robert C. Naivar, Mark A. Woods, Travis A. Goddard, Gregory R. Graves, Steven W. TI Evaluation of a green laser pointer for flow cytornetry SO CYTOMETRY PART A LA English DT Article DE flow cytometry; DPSS laser; laser pointer; portable ID FLUORESCENCE DETECTION; CYTOMETRY SYSTEM; PARTICLES; SENSITIVITY; DIODE; CELLS AB Flow cytometers typically incorporate expensive lasers with high-quality (TEM00) output beam structure and very stable output power, significantly increasing system cost and power requirements. Red diode lasers minimize power consumption and cost, but limit fluorophore selection. Low-cost DPSS laser pointer modules could possibly offer increased wavelength selection but presumed emission instability has limited their use. A $160 DPSS 532 nm laser pointer module was first evaluated for noise characteristics and then used as the excitation light source in a custom-built flow cytometer for the analysis of fluorescent calibration and alignment microspheres. Eight of ten modules tested were very quiet (RMS noise <= 0.6% between 0 and 5 MHz). With a quiet laser pointer module as the light source in a slow-flow system, fluorescence measurements from alignment microspheres produced CVs of about 3.3%. Furthermore, the use of extended transit times and <= 1 mW of laser power produced both baseline resolution of all 8 peaks in a set of Rainbow microspheres, and a detection limit of <20 phycoerythrin molecules per particle. Data collected with the transit time reduced to 25 mu s (in the same instrument but at 2.4 mW laser output) demonstrated a detection limit of similar to 75 phycoerythrin molecules and CVs of about 2.7%. The performance, cost, size, and power consumption of the tested laser pointer module suggests that it may be suitable for use in conventional flow cytometry, particularly if it were coupled with cytometers that support extended transit times. Published 2007 Wiley-Liss, Inc. C1 Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. RP Graves, SW (reprint author), Los Alamos Natl Lab, Biosci Div, Mail Stop M888, Los Alamos, NM 87545 USA. EM graves@lanl.gov FU NCRR NIH HHS [RR001315, RR020064] NR 33 TC 28 Z9 28 U1 1 U2 7 PU WILEY-LISS PI HOBOKEN PA DIV JOHN WILEY & SONS INC, 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 1552-4922 J9 CYTOM PART A JI Cytom. Part A PD OCT PY 2007 VL 71A IS 10 BP 809 EP 817 DI 10.1002/cyto.a.20454 PG 9 WC Biochemical Research Methods; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 216MQ UT WOS:000249882500007 PM 17712796 ER PT J AU Siegal, MP Miller, PA Provencio, PP Tallant, DR AF Siegal, M. P. Miller, P. A. Provencio, P. P. Tallant, D. R. TI Controlled growth of carbon nanotube films for high-current field emission SO DIAMOND AND RELATED MATERIALS LA English DT Article; Proceedings Paper CT 6th Specialists Meeting on Amorphous Carbon (SMAC) CY SEP, 2006 CL Heraclion, GREECE SP Greek Minist Culture, Univ Crete DE nanotubes; field emission; high resolution electron microscopy; chemical vapor deposition ID CHEMICAL-VAPOR-DEPOSITION; DENSITY; ARRAYS AB Carbon nanotubes (CNTs) offer great potential for numerous cold-cathode field emission applications. A less studied need is for high-current cathodes. While work to date has focused on the use of tangled webs of single-wall CNTs, much understanding about field emission has occurred from studies using multi-wall CNTs with controlled geometries. However, the crystalline nature of these multi-wall CNTs typically is far inferior to that of single-wall CNTs. We use high-resolution transmission electron microscopy to demonstrate that growth at temperatures <= 630 degrees C via thermal chemical vapor deposition can produce highly crystalline multi-wall CNTs, with structures consisting entirely of concentric graphene cylinders. Conversely, growth at temperatures >= 650 degrees C results in crystalline CNTs embedded in a nanocrystalline graphite, or glassy carbon, sheath. This sheath material is likely a poor electrical conductor, due to phonon scattering, and will have deleterious effects on field emission. Field emission measurements taken from such films are consistent with the best field-emitting multi-wall CNT films in the literature, in terms of total current for a given applied field, but without the benefit of the preferred perpendicular orientation. These results are promising toward the development of reliable high-current field emission cathodes. (C) 2007 Elsevier B.V. All rights reserved. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Siegal, MP (reprint author), Sandia Natl Labs, POB 5800,MS 1421, Albuquerque, NM 87185 USA. EM mpsiega@sandia.gov NR 14 TC 6 Z9 7 U1 0 U2 5 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-9635 J9 DIAM RELAT MATER JI Diam. Relat. Mat. PD OCT PY 2007 VL 16 IS 10 BP 1793 EP 1798 DI 10.1016/j.diamond.2007.08.028 PG 6 WC Materials Science, Multidisciplinary SC Materials Science GA 231LT UT WOS:000250949000006 ER PT J AU Shames, AI Panich, AM Porro, S Rovere, M Musso, S Tagliaferro, A Baidakova, MV Osipov, VY Vul, AY Enoki, T Takahashi, M Osawa, E Williams, OA Bruno, P Gruen, DM AF Shames, A. I. Panich, A. M. Porro, S. Rovere, M. Musso, S. Tagliaferro, A. Baidakova, M. V. Osipov, V. Yu. Vul, A. Ya. Enoki, T. Takahashi, M. Osawa, E. Williams, O. A. Bruno, P. Gruen, D. M. TI Defects localization and nature in bulk and thin film utrananocrystalline diamond SO DIAMOND AND RELATED MATERIALS LA English DT Article; Proceedings Paper CT 6th Specialists Meeting on Amorphous Carbon (SMAC) CY SEP, 2006 CL Heraklion, GREECE SP Greek Minist Culture, Univ Crete DE ultrananocrystalline diamond; electron paramagnetic resonance; nuclear magnetic resonance; spin states ID ULTRANANOCRYSTALLINE DIAMOND; NANODIAMONDS; IMPURITIES; EPR AB We report about the electron paramagnetic resonance and nuclear magnetic resonance signals in bulk and thin film-type ultrananocrystalline diamond with and without nitrogen. The localization and nature of defects for powder and compact film samples were analyzed. From the analysis of spin-lattice and spin-spin relaxation times, we have found that spin states sit in sp(2) enriched region belonging to the grain boundaries. (C) 2007 Published by Elsevier B.V. C1 Politecn Torino, Dept Phys, Turin, Italy. Ben Gurion Univ Negev, Dept Phys, Beer Sheva, Israel. Politecn Torino, CESMO, Turin, Italy. AF Ioffe Phys Tech Inst, St Petersburg, Russia. Tokyo Inst Technol, Dept Chem, Tokyo, Japan. NanoCarbon Res Inst Ltd, Nagano, Japan. Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL USA. Argonne Natl Lab, Mat Sci Div, Argonne, IL USA. RP Tagliaferro, A (reprint author), Politecn Torino, Dept Phys, Turin, Italy. EM alberto.tagliaferro@polito.it RI Williams, Oliver/B-2776-2009; Panich, Alexander/F-2302-2012; bruno, paola/G-5786-2011; Vul, Alexander/E-7640-2010; Baidakova, Marina/C-3008-2014; OI Williams, Oliver/0000-0002-7210-3004 NR 19 TC 19 Z9 19 U1 1 U2 10 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0925-9635 EI 1879-0062 J9 DIAM RELAT MATER JI Diam. Relat. Mat. PD OCT PY 2007 VL 16 IS 10 BP 1806 EP 1812 DI 10.1016/j.diamond.2007.08.026 PG 7 WC Materials Science, Multidisciplinary SC Materials Science GA 231LT UT WOS:000250949000008 ER PT J AU Salafia, CM Charles, AK Morgan, SPH Misra, DP Miller, RK Eucker, B Thorp, JM AF Salafia, C. M. Charles, A. K. Morgan, S. P. H. Misra, D. P. Miller, R. K. Eucker, B. Thorp, J. M. TI Asymmetric placental and chorionic vascular growth modifies birth weight for a given placental weight SO EARLY HUMAN DEVELOPMENT LA English DT Meeting Abstract C1 [Salafia, C. M.] NYU, Sch Med, New York, NY USA. [Salafia, C. M.] St Lukes Roosevelt Hosp, New York, NY 10025 USA. [Charles, A. K.] Univ Western Australia, Perth, WA 6009, Australia. [Morgan, S. P. H.] Los Alamos Natl Lab, Los Alamos, NM USA. [Misra, D. P.] Univ Michigan, Ann Arbor, MI 48109 USA. [Miller, R. K.] Univ Rochester, Rochester, NY USA. [Eucker, B.; Thorp, J. M.] Univ N Carolina, Chapel Hill, NC 27515 USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU ELSEVIER IRELAND LTD PI CLARE PA ELSEVIER HOUSE, BROOKVALE PLAZA, EAST PARK SHANNON, CO, CLARE, 00000, IRELAND SN 0378-3782 J9 EARLY HUM DEV JI Early Hum. Dev. PD OCT PY 2007 VL 83 SU 1 BP S143 EP S143 DI 10.1016/S0378-3782(07)70385-7 PG 1 WC Obstetrics & Gynecology; Pediatrics SC Obstetrics & Gynecology; Pediatrics GA 232YS UT WOS:000251058200386 ER PT J AU Russell, CT Capaccioni, F Coradini, A De Sanctis, MC Feldman, WC Jaumann, R Keller, HU McCord, TB McFadden, LA Mottola, S Pieters, CM Prettyman, TH Raymond, CA Sykes, MV Smith, DE Zuber, MT AF Russell, C. T. Capaccioni, F. Coradini, A. De Sanctis, M. C. Feldman, W. C. Jaumann, R. Keller, H. U. McCord, T. B. McFadden, L. A. Mottola, S. Pieters, C. M. Prettyman, T. H. Raymond, C. A. Sykes, M. V. Smith, D. E. Zuber, M. T. TI Dawn mission to vesta and ceres - Symbiosis between terrestrial observations and robotic exploration SO EARTH MOON AND PLANETS LA English DT Article DE Dawn Discovery mission; asteroids; Ceres; Vesta ID HF-W CHRONOMETRY; ASTEROID 1 CERES; INTERNAL STRUCTURE; CORE FORMATION; PARENT BODY; GAMMA-RAY; EUCRITE; METEORITES; 4-VESTA; ORIGIN AB The initial exploration of any planetary object requires a careful mission design guided by our knowledge of that object as gained by terrestrial observers. This process is very evident in the development of the Dawn mission to the minor planets 1 Ceres and 4 Vesta. This mission was designed to verify the basaltic nature of Vesta inferred both from its reflectance spectrum and from the composition of the howardite, eucrite and diogenite meteorites believed to have originated on Vesta. Hubble Space Telescope observations have determined Vesta's size and shape, which, together with masses inferred from gravitational perturbations, have provided estimates of its density. These investigations have enabled the Dawn team to choose the appropriate instrumentation and to design its orbital operations at Vesta. Until recently Ceres has remained more of an enigma. Adaptive-optics and HST observations now have provided data from which we can begin to confidently plan the mission. These observations reveal a rotationally symmetric body with little surface relief, an ultraviolet bright point that can be used as a control point for determining the pole and anchoring a geographic coordinate system. They also reveal albedo and color variations that provide tantalizing hints of surface processes. C1 Univ Calif Los Angeles, IGPP, Los Angeles, CA 90095 USA. Univ Calif Los Angeles, ESS, Los Angeles, CA 90095 USA. INAF, I-00133 Rome, Italy. IFSI, I-00133 Rome, Italy. IAFS, I-00133 Rome, Italy. LANL, Los Alamos, NM 87545 USA. DLR, D-12489 Berlin, Germany. MPAE, D-37191 Katlenburg Lindau, Germany. Univ Hawaii, Honolulu, HI 96822 USA. Univ Maryland, College Pk, MD 20742 USA. Brown Univ, Providence, RI 02912 USA. JPL, Pasadena, CA 91109 USA. PSI, Tucson, AZ 85719 USA. GSFC, Greenbelt, MD 20771 USA. MIT, Cambridge, MA 02139 USA. RP Russell, CT (reprint author), Univ Calif Los Angeles, IGPP, Los Angeles, CA 90095 USA. EM ctrussel@igpp.ucla.edu RI McFadden, Lucy-Ann/I-4902-2013; De Sanctis, Maria Cristina/G-5232-2013; OI McFadden, Lucy-Ann/0000-0002-0537-9975; De Sanctis, Maria Cristina/0000-0002-3463-4437; Capaccioni, Fabrizio/0000-0003-1631-4314 NR 55 TC 80 Z9 80 U1 0 U2 8 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0167-9295 J9 EARTH MOON PLANETS JI Earth Moon Planets PD OCT PY 2007 VL 101 IS 1-2 BP 65 EP 91 DI 10.1007/s11038-007-9151-9 PG 27 WC Astronomy & Astrophysics; Geosciences, Multidisciplinary SC Astronomy & Astrophysics; Geology GA 216ZK UT WOS:000249917500006 ER PT J AU Passell, HD Dahm, CN Bedrick, EJ AF Passell, Howard D. Dahm, Clifford N. Bedrick, Edward J. TI Ammonia modeling for assessing potential toxicity to fish species in the Rio Grande, 1989-2002 SO ECOLOGICAL APPLICATIONS LA English DT Article DE ammonia; ammonium; endangered species; Hybognathus amarus; long-term trends; New Mexico; USA; Rio Grande silvery minnow; sewage; wastewater; water quality ID WASTE-WATER TREATMENT; TREATMENT-PLANT EFFLUENT; SYSTEM DYNAMICS APPROACH; EARLY-LIFE STAGES; RAINBOW-TROUT; RIVER; STREAMS; PATTERNS; QUALITY; TRENDS AB Increasing volumes of treated and untreated human sewage discharged into rivers around the world are likely to be leading to high aquatic concentrations of toxic, unionized ammonia (NH3), with negative impacts on species and ecosystems. Tools and approaches are needed for assessing the dynamics of NH3. This paper describes a modeling approach for first-order assessment of potential NH3 toxicity in urban rivers. In this study daily dissolved NH3 concentrations in the Rio Grande of central New Mexico, USA, at the city of Albuquerque's treated sewage outfall were modeled for 1989-2002. Data for ammonium (NH4+) concentrations in the sewage and data for discharge, temperature, and pH for both sewage effluent and the river were used. We used State of New Mexico acute and chronic NH3-N concentration values (0.30 and 0.05 mg/L NH3-N, respectively) and other reported standards as benchmarks for determining NH3 toxicity in the river and for assessing potential impact on population dynamics for fish species. A critical species of concern is the Rio Grande silvery minnow (Hybognathus amarus), an endangered species in the river near Albuquerque. Results show that NH3 concentrations matched or exceeded acute levels 13%, 3%, and 4% of the time in 1989, 199 1, and 1992, respectively. Modeled NH3 concentrations matched or exceeded chronic values 97%, 74%, 78%, and 11% of the time in 1989, 1991, 1992, and 1997, respectively. Exceedences ranged from 0% to 1% in later years after enhancements to the wastewater treatment plant. Modeled NH3 concentrations may differ from actual concentrations because of NH3 and NH4+ loss terms and additive terms such as mixing processes, volatilization, nitrification, sorbtion, and NH4+ uptake. We conclude that NH3 toxicity must be considered seriously for its potential ecological impacts on the Rio Grande and as a mechanism contributing to the decline of the Rio Grande fish community in general and the Rio Grande silvery minnow specifically. Conclusions drawn for the Rio Grande suggest that NH3 concentrations may be high in rivers around the world where alkaline pH values are prevalent and sewage treatment capabilities are poorly developed or absent. C1 Sandia Natl Labs, Resources & Syst Anal Ctr, Albuquerque, NM 87185 USA. Univ New Mexico, Dept Biol, Albuquerque, NM 87131 USA. Univ New Mexico, Dept Math & Biostat, Albuquerque, NM 87131 USA. RP Passell, HD (reprint author), Sandia Natl Labs, Resources & Syst Anal Ctr, POB 5800,MS 1350, Albuquerque, NM 87185 USA. EM hdpasse@sandia.gov NR 67 TC 8 Z9 9 U1 1 U2 13 PU ECOLOGICAL SOC AMER PI WASHINGTON PA 1707 H ST NW, STE 400, WASHINGTON, DC 20006-3915 USA SN 1051-0761 J9 ECOL APPL JI Ecol. Appl. PD OCT PY 2007 VL 17 IS 7 BP 2087 EP 2099 DI 10.1890/06-1293.1 PG 13 WC Ecology; Environmental Sciences SC Environmental Sciences & Ecology GA 220FL UT WOS:000250142500018 PM 17974343 ER PT J AU Horgan, FG Quiring, DT Lagnaoui, A Pelletier, Y AF Horgan, Finbarr G. Quiring, Dan T. Lagnaoui, Aziz Pelletier, Yvan TI Variable responses of tuber moth to the leaf trichomes of wild potatoes SO ENTOMOLOGIA EXPERIMENTALIS ET APPLICATA LA English DT Article DE glandular trichomes; Phthorimaea operculella; potato resistance; Solanum berthaultii; Solanum tarijense; Lepidoptera; Gelechiidae ID PHTHORIMAEA-OPERCULELLA ZELLER; SOLANUM-BERTHAULTII; GLANDULAR TRICHOMES; RESISTANCE; BEETLE; GELECHIIDAE; LEPIDOPTERA; OVIPOSITION; TARIJENSE; HYBRIDS AB This study examines the response of tuber moth, Phthorimaea operculella (Zeller) (Lepidoptera: Gelechiidae), during the initial stages of attack, to variability in trichome density and composition on foliage of Solanum berthaultii (Hawkes) and Solanum tarijense (Hawkes) (Solanaceae). Solanum berthaultii bears two types of glandular trichome (type A and type B) that together reduced oviposition by the moth. Females were often completely deterred from ovipositing on foliage with > 300 trichomes per cm(2). In contrast, neonate establishment on S. berthaultii was generally positively related to trichome densities, indicating that trichomes may be a poor defense against P. operculella when the moth oviposits in soil and neonate larvae select the host plant. Solanum tarijense has only one type of glandular trichome (type A) and eglandular hairs. Most eggs were deposited on the adaxial leaf surfaces that had lower trichome densities. Although the density of type A trichomes was negatively related to oviposition, high densities of hairs on the abaxial and adaxial leaf surfaces appeared to stimulate oviposition, leading to stronger positive relations between hair densities and oviposition. Larvae generally established on the abaxial surface where hair densities were greatest. Relationships between the abaxial densities of leaf hairs and neonate establishment on S. tarijense were positive. The results indicate that the responses by P. operculella to the types and density of trichomes are complex. Whereas type A and type B trichomes may act synergistically to reduce oviposition by the moth, leaf hairs do not defend against oviposition and neither leaf hairs nor type A and B trichomes reduce neonate establishment by this herbivore species. C1 Univ New Brunswick, Populat Ecol Grp, Dept Biol, Fredericton, NB E3B 6C2, Canada. Univ New Brunswick, Fac Environm Management, Fredericton, NB E3B 6C2, Canada. Ctr Int Papa, Dept Entomol & Nematol, Lima 12, Peru. Agr & Agri Food Canada, Potato Res Ctr, Fredericton, NB E3B 4Z7, Canada. RP Horgan, FG (reprint author), Teagasc, Oak Pk Res Ctr, Carlow, Ireland. EM finbarr.horgan@teagasc.ie NR 35 TC 16 Z9 17 U1 0 U2 3 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0013-8703 J9 ENTOMOL EXP APPL JI Entomol. Exp. Appl. PD OCT PY 2007 VL 125 IS 1 BP 1 EP 12 DI 10.1111/j.1570-7458.2007.00590.x PG 12 WC Entomology SC Entomology GA 206ZT UT WOS:000249222100001 ER PT J AU Jiang, HC Dong, HL Yu, BS Liu, XQ Li, YL Ji, SS Zhang, CLL AF Jiang, Hongchen Dong, Hailiang Yu, Bingsong Liu, Xinqi Li, Yiliang Ji, Shanshan Zhang, Chuanlun L. TI Microbial response to salinity change in Lake Chaka, a hypersaline lake on Tibetan plateau SO ENVIRONMENTAL MICROBIOLOGY LA English DT Review ID LIVING BACTERIAL COMMUNITIES; 16S RIBOSOMAL-RNA; PROKARYOTIC GENETIC DIVERSITY; SULFATE-REDUCING BACTERIUM; BRINE-SEAWATER INTERFACE; SP-NOV.; PHYLOGENETIC DIVERSITY; RED-SEA; HETEROTROPHIC BACTERIA; HALOPHILIC BACTERIA AB Previous investigations of the salinity effects on the microbial community composition have largely been limited to dynamic estuaries and coastal solar salterns. In this study, the effects of salinity and mineralogy on microbial community composition was studied by using a 900-cm sediment core collected from a stable, inland hypersaline lake, Lake Chaka, on the Tibetan Plateau, north-western China. This core, spanning a time of 17 000 years, was unique in that it possessed an entire range of salinity from freshwater clays and silty sands at the bottom to gypsum and glauberite in the middle, to halite at the top. Bacterial and archaeal communities were studied along the length of this core using an integrated approach combining mineralogy and geochemistry, molecular microbiology (16S rRNA gene analysis and quantitative polymerase chain reaction), cultivation and lipid biomarker analyses. Systematic changes in microbial community composition were correlated with the salinity gradient, but not with mineralogy. Bacterial community was dominated by the Firmicutes-related environmental sequences and known species (including sulfate-reducing bacteria) in the freshwater sediments at the bottom, but by halophilic and halotolerant Betaproteobacteria and Bacteroidetes in the hypersaline sediments at the top. Succession of proteobacterial groups along the salinity gradient, typically observed in free-living bacterial communities, was not observed in the sediment-associated community. Among Archaea, the Crenarchaeota were predominant in the bottom freshwater sediments, but the halophilic Halobacteriales of the Euryarchaeota was the most important group in the hypersaline sediments. Multiple isolates were obtained along the whole length of the core, and their salinity tolerance was consistent with the geochemical conditions. Iron-reducing bacteria were isolated in the freshwater sediments, which were capable of reducing structural Fe(III) in the Fe(III)-rich clay minerals predominant in the source sediment. These data have important implications for understanding how microorganisms respond to increased salinity in stable, inland water bodies. C1 Miami Univ, Dept Geol, Oxford, OH 45056 USA. China Univ Geosci, Geomicrobiol Lab, Beijing 100083, Peoples R China. China Univ Geosci, Sch Earth Sci, Beijing 100083, Peoples R China. Chinese Acad Sci, Nanjing Inst Geog & Limnol, Nanjing 210008, Peoples R China. Univ Tennessee, Ctr Environm Biotechnol, Knoxville, TN 37931 USA. Univ Georgia, Savannah River Ecol Lab, Aiken, SC 29802 USA. RP Dong, HL (reprint author), Miami Univ, Dept Geol, Oxford, OH 45056 USA. EM dongh@muohio.edu RI Li, Yiliang/E-9916-2010; Jiang, Hongchen/I-5838-2016 NR 102 TC 93 Z9 104 U1 9 U2 66 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 1462-2912 J9 ENVIRON MICROBIOL JI Environ. Microbiol. PD OCT PY 2007 VL 9 IS 10 BP 2603 EP 2621 DI 10.1111/j.1462-2920.2007.01377.x PG 19 WC Microbiology SC Microbiology GA 206ZY UT WOS:000249222600020 PM 17803783 ER PT J AU Miyamoto, H Komatsu, G Baker, VR Dohm, JM Ito, K Tosaka, H AF Miyamoto, Hideaki Komatsu, Goro Baker, Victor R. Dohm, James M. Ito, Kazumasa Tosaka, Hiroyuki TI Cataclysmic Scabland flooding: Insights from a simple depth-averaged numerical model SO ENVIRONMENTAL MODELLING & SOFTWARE LA English DT Article DE cataclysmic floods; channeled scabland; glacial lake missoula; numerical simulation; depth-averaged ID GLACIAL LAKE MISSOULA; CHANNELED SCABLAND; LAVA FLOWS; WASHINGTON; SIMULATIONS; JOKULHLAUPS; COLUMBIA; BRETZ; BACK; MARS AB This work presents numerical assessments of possible routing paths for the reported late Pleistocene Missoula floods, which involved Earth's largest known peak discharges of freshwater. For our numerical model, we adopt the diffusion wave approximation of the shallow-water equation with the empirical Manning coefficient. This simplification is required because (1) most previous studies are one-dimensional or analytical studies based on simple equations, so that our two-dimensional expansion is a natural step towards more sophisticated models; (2) a simple model can easily incorporate the effect of complicated topography; and (3) lower computational costs permit a broader exploration of parameters. Important and new insights obtained from this work include: (1) numerically, we confirm the presence of the Cordilleran Ice Sheet at the time of the Missoula floods; (2) floods with relatively small peak discharges cannot inundate some major reaches, including the Cheney Palouse Scabland Tract; (3) deposits indicative of multiple floods are mostly confined in the locations that can be inundated by relatively lower peak flood discharges; and (4) although Lake Missoula glacial lake failure scenario can reasonably reproduce extensive water coverage, the best fit result to the geological evidence of flooding is obtained when the total water volume is three times larger than that estimated for Glacial Lake Missoula. The above results do not negate previous works, but indicate the need for further detailed field investigation and more sophisticated modeling in order to pursue further understanding of the complex behavior of megaflooding in the Channeled Scabland. (c) 2006 Elsevier Ltd. All rights. reserved. C1 Univ Tokyo, Univ Museum, Tokyo 1130033, Japan. Planetary Sci Inst, Tucson, AZ 85719 USA. Univ Annuzio, Int Res Sch Planetary Sci, Pescara, Italy. Univ Arizona, Lunar & Planetary Lab, Tucson, AZ 85721 USA. Univ Arizona, Dept Hydrol & Water Resources, Tucson, AZ 85721 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Tokyo, Dept Geosyst Engn, Tokyo 1138565, Japan. RP Miyamoto, H (reprint author), Univ Tokyo, Univ Museum, 7-3-1 Hongo,Bunkyo, Tokyo 1130033, Japan. EM miyamoto@geosys.t.u-tokyo.ac.jp RI Miyamoto, Hideaki/B-9666-2008; Miyamoto, Hideaki/E-3381-2012; Dohm, James/A-3831-2014; Komatsu, Goro/I-7822-2012 OI Komatsu, Goro/0000-0003-4155-108X NR 42 TC 13 Z9 13 U1 2 U2 11 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1364-8152 J9 ENVIRON MODELL SOFTW JI Environ. Modell. Softw. PD OCT PY 2007 VL 22 IS 10 BP 1400 EP 1408 DI 10.1016/j.envsoft.2006.07.006 PG 9 WC Computer Science, Interdisciplinary Applications; Engineering, Environmental; Environmental Sciences SC Computer Science; Engineering; Environmental Sciences & Ecology GA 180YL UT WOS:000247403800003 ER PT J AU Patton, G Dauble, D McKinstry, C AF Patton, Gregory Dauble, Dennis McKinstry, Craig TI Evaluation of early life stage fall chinook salmon exposed to hexavalent chromium from a contaminated groundwater source SO ENVIRONMENTAL MONITORING AND ASSESSMENT LA English DT Article DE early life stage; chinook salmon; hexavalent chromium; ecological risk; bioconcentration factor ID ONCORHYNCHUS-TSHAWYTSCHA; COLUMBIA RIVER; HANFORD REACH; WATER AB We conducted a laboratory evaluation to assess the risk to early life stage (i.e., eyed egg to swim up) fall Chinook salmon (Oncorhynchus tshawytscha) for exposure to hexavalent chromium from a contaminated groundwater source. Local populations of fall Chinook salmon were exposed to Hanford Site source groundwater that was diluted with Columbia River water. Specific endpoints included survival, development rate, and growth. Tissue burdens of fish were also measured to estimate uptake and elimination rates of chromium. Survival, development, and growth of early life stage fall Chinook salmon were not adversely affected by extended exposures (i.e., 98 day) to hexavalent chromium ranging from 0.79 to 260 mu g/l. Survival for all treatment levels and controls exceeded 98% at termination of the test. In addition, there were no differences among the mean lengths and weights of fish among all treatment groups. Whole-body concentrations of chromium in early life stage fall Chinook salmon had a typical dose-response pattern; i.e., those subjected to highest exposure concentrations and longest exposure intervals had higher tissue concentrations. Given the spatial extent of chromium concentrations at the Hanford Site, and the dynamics of the groundwater-river water interface, the current cleanup criterion of 10 mu g/l chromium appear adequate to protect early life stage fall Chinook salmon. These findings, together with previous research indicate low risk to these populations. C1 Environm Technol Div, Pacific NW Natl Lab, Richland, WA 99352 USA. RP Patton, G (reprint author), Environm Technol Div, Pacific NW Natl Lab, PO Box 999,Battelle Blvd, Richland, WA 99352 USA. EM gw.patton@pnl.gov NR 27 TC 4 Z9 5 U1 1 U2 6 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0167-6369 J9 ENVIRON MONIT ASSESS JI Environ. Monit. Assess. PD OCT PY 2007 VL 133 IS 1-3 BP 285 EP 294 DI 10.1007/s10661-006-9583-0 PG 10 WC Environmental Sciences SC Environmental Sciences & Ecology GA 209QU UT WOS:000249403900027 PM 17294282 ER PT J AU Gao, WJ Zhou, N Li, HF Kammen, DM AF Gao, Weijun Zhou, Nan Li, Haifeng Kammen, Daniel M. TI Possibility and potential of clean development mechanisms in China SO ENVIRONMENTAL RESEARCH LETTERS LA English DT Article DE clean development mechanism (CDM); greenhouse gas (GHG); Kyoto Protocol; certified emission reductions (CERs); China AB China has become the world's second largest greenhouse gas (GHG) emitter behind the United States. It emits approximately three billion tons of CO2 equivalents every year. Its growing economy and large population are making a wealthier, more consumption-oriented country. Energy demand is expected to grow 5-10% per year through 2030. Therefore, a large potential of GHG emission reduction in China can be expected. The clean development mechanism (CDM) put forward in the Kyoto Protocol for reductions of GHGs can support the sustainable development of developing countries and help developed countries to achieve their emission reduction targets at low cost. However, there are still many disagreements to be resolved between developing and developed countries. In this letter, we try to introduce the current development of CDM projects in China and discuss its potential and opportunities in the future decades. C1 [Gao, Weijun] Univ Kitakyushu, Fac Environm Engn, Kitakyushu, Fukuoka, Japan. [Gao, Weijun] Xi An Jiao Tong Univ, Sch Human Settlement & Civil Engn, Xian, Peoples R China. [Zhou, Nan] Lawrence Berkeley Lab, China Energy Grp, Berkeley, CA USA. [Li, Haifeng] Waseda Univ, Adv Res Inst Sci & Engn, Tokyo, Japan. [Kammen, Daniel M.] Univ Calif Berkeley, Energy & Resources Grp, Berkeley, CA 94720 USA. [Kammen, Daniel M.] Univ Calif Berkeley, Goldman Sch Publ Policy, Berkeley, CA 94720 USA. [Kammen, Daniel M.] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. [Kammen, Daniel M.] Univ Calif Berkeley, Renewable & Appropriate Energy Lab, Berkeley, CA 94720 USA. RP Gao, WJ (reprint author), Univ Kitakyushu, Fac Environm Engn, Kitakyushu, Fukuoka, Japan. NR 15 TC 3 Z9 3 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-9326 J9 ENVIRON RES LETT JI Environ. Res. Lett. PD OCT-DEC PY 2007 VL 2 IS 4 AR 044005 DI 10.1088/1748-9326/2/4/044005 PG 8 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 269ML UT WOS:000253653000005 ER PT J AU Zhang, Q Streets, DG He, KB Klimont, Z AF Zhang, Qiang Streets, David G. He, Kebin Klimont, Zbigniew TI Major components of China's anthropogenic primary particulate emissions SO ENVIRONMENTAL RESEARCH LETTERS LA English DT Article DE China; particulate matter; emissions ID BLACK CARBON; COAL COMBUSTION; AIR-POLLUTION; PARTICLES; AEROSOLS; INVENTORY; MATTER; GASES; ASIA AB This paper presents the first comprehensive estimates of particulate emissions in China by size distribution and major components. Using a technology-based emission inventory approach, we are able to classify particulate emissions into three size ranges, TSP, PM10 and PM2.5, and identify the contributions of black carbon (BC), organic carbon (OC), Ca and Mg. Total particulate emissions are estimated to be 27.4 Tg for the year 2001, of which 17.8 Tg are PM10 and 12.7 Tg are PM2.5. Industrial processes are the major sources of particles over all three size ranges, but residential biofuel use and transportation sources become increasingly important for PM10 and PM2.5. The industrialized coastal provinces, such as Shandong, Jiangsu and Hebei, are the major sources of particulate emissions. The industrialized and developing regions show different characteristic emission ratios of PM2.5/TSP, (BC + OC)/P-M2.5 and (Ca + Mg)/TSP. In the future, we can expect significant reductions in primary particulate emissions and major changes in the patterns of size and species. C1 [Zhang, Qiang; Streets, David G.] Argonne Natl Lab, Decis & Informat Sci Div, Argonne, IL 60439 USA. [Zhang, Qiang; He, Kebin] Tsinghua Univ, Dept Environm Sci & Engn, Beijing 100084, Peoples R China. [Klimont, Zbigniew] Int Inst Appl Syst Anal, A-2361 Laxenburg, Austria. RP Streets, DG (reprint author), Argonne Natl Lab, Decis & Informat Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM dstreets@anl.gov RI Zhang, Qiang/D-9034-2012; Klimont, Zbigniew/P-7641-2015; OI Klimont, Zbigniew/0000-0003-2630-198X; Streets, David/0000-0002-0223-1350 NR 34 TC 54 Z9 56 U1 4 U2 49 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-9326 J9 ENVIRON RES LETT JI Environ. Res. Lett. PD OCT-DEC PY 2007 VL 2 IS 4 AR 045027 DI 10.1088/1748-9326/2/4/045027 PG 7 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 269ML UT WOS:000253653000032 ER PT J AU Morrow, WR Griffin, WM Matthews, HS AF Morrow, William R. Griffin, W. Michael Matthews, H. Scott TI State-level infrastructure and economic effects of switchgrass cofiring with coal in existing power plants for carbon mitigation SO ENVIRONMENTAL SCIENCE & TECHNOLOGY LA English DT Article ID BIOMASS; REDUCTIONS; ENERGY AB This paper presents a linear programming (LP) methodology for estimating the cost of reducing a state's coal-fired power plant carbon dioxide emissions by cofiring switchgrass and coal. LP modeling allows interplay between regionally specific switchgrass production forecasts, coal plant locations, and individual coal plant historic performance data to determine an allocation of switchgrass minimizing cost or maximizing carbon reduction. The LP methodology is applied to two states, Pennsylvania (PA) and Iowa (IA), and results are presented with a discussion of modeling assumptions, techniques, and carbon mitigation policy implications. The LP methodology estimates that, in PA, 4.9 million tons of CO(2)/year could be mitigated at an average cost of less than $34/ton of CO(2) and that, in IA, 7 million tons of CO(2)/year could be mitigated at an average Cost of Mitigation of $27/ton of CO(2). Because the factors determining the cofiring costs vary so much between the two states, results suggest that cofiring costs will also vary considerably between different U.S. regions. A national level analysis could suggest a lowest-cost cofiring region. This paper presents techniques and assumptions that can simplify biomass energy policy analysis with little effect on analysis conclusions. C1 Carnegie Mellon Univ, Dept Civil & Environm Engn, Pittsburgh, PA 15213 USA. Carnegie Mellon Univ, Dept Engn & Publ Policy, Pittsburgh, PA 15213 USA. Carnegie Mellon Univ, Tepper Sch Business, Pittsburgh, PA 15213 USA. RP Morrow, WR (reprint author), Natl Energy Technol Lab, Off Syst Anal & Planning, Pittsburgh, PA 15236 USA. EM bill@ethree.com RI Griffin, William/M-2943-2014 OI Griffin, William/0000-0002-1709-4280 NR 20 TC 5 Z9 5 U1 1 U2 4 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 OCT 1 PY 2007 VL 41 IS 19 BP 6657 EP 6662 DI 10.1021/es070335h PG 6 WC Engineering, Environmental; Environmental Sciences SC Engineering; Environmental Sciences & Ecology GA 215WV UT WOS:000249840600009 PM 17969677 ER PT J AU Anschel, DJ Bae, A Buras, W Allen, JC Savatic, M AF Anschel, David J. Bae, A. Buras, W. Allen, J. C. Savatic, M. TI Anti-epileptic proerty not present in rat cerebrospinal fluid following 2 weeks of vagus nerve stimulation SO EPILEPSIA LA English DT Meeting Abstract CT 61st Annual Meeting of the American-Epilepsy-Society CY NOV 13-DEC 04, 2007 CL Philadelphia, PA SP Amer Epilepsy Soc C1 [Anschel, David J.; Bae, A.; Savatic, M.] SUNY Stony Brook, Stony Brook, NY 11794 USA. [Buras, W.; Allen, J. C.] Cyberon Corp, Houston, TX USA. [Anschel, David J.; Savatic, M.] Brookhaven Natl Lab, Upton, NY 11973 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0013-9580 J9 EPILEPSIA JI Epilepsia PD OCT PY 2007 VL 48 SU 6 BP 307 EP 307 PG 1 WC Clinical Neurology SC Neurosciences & Neurology GA 259CY UT WOS:000252917900828 ER PT J AU Fisher, DR Ramdahl, T Bruland, OS Larsen, RH Harmenberg, J Nilsson, S Dornish, M AF Fisher, D. R. Ramdahl, T. Bruland, O. S. Larsen, R. H. Harmenberg, J. Nilsson, S. Dornish, M. TI Biokinetics and dosimetry of radium-223 in the cancer patient SO EUROPEAN JOURNAL OF NUCLEAR MEDICINE AND MOLECULAR IMAGING LA English DT Meeting Abstract CT 20th Annual Congress of the European-Association-of-Nuclear-Medicine CY 2007 CL Copenhagen, DENMARK SP European Assoc Nucl Med C1 [Fisher, D. R.] Pacific NW Natl Lab, Washington, DC USA. [Ramdahl, T.; Harmenberg, J.; Dornish, M.] ASA, Algeta, Oslo, Norway. [Nilsson, S.] Karolinska Hosp & Inst, Stockholm, Sweden. NR 0 TC 0 Z9 0 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 1619-7070 J9 EUR J NUCL MED MOL I JI Eur. J. Nucl. Med. Mol. Imaging PD OCT PY 2007 VL 34 SU 2 BP S199 EP S199 PG 1 WC Radiology, Nuclear Medicine & Medical Imaging SC Radiology, Nuclear Medicine & Medical Imaging GA 264JP UT WOS:000253283900380 ER PT J AU Sibirtsev, A Haidenbaeur, J Krewald, S Lee, TS Meissner, UG Thomas, AW AF Sibirtsev, A. Haidenbaeur, J. Krewald, S. Lee, T.-S. H. Meissner, U.-G. Thomas, A. W. TI Regge approach to charged pion photoproduction at invariant energies above 2 GeV SO EUROPEAN PHYSICAL JOURNAL A LA English DT Review ID LINEARLY POLARIZED PHOTONS; RESONANCE PHOTODECAY AMPLITUDES; RELATIVISTIC QUARK-MODEL; STRANGE-BARYON SPECTRUM; PARTIAL-WAVE ANALYSIS; MESON PHOTOPRODUCTION; CHIRAL-SYMMETRY; CROSS-SECTIONS; CUT DISCONTINUITIES; NONSTRANGE BARYONS AB A Regge model with absorptive corrections is employed in a global analysis of the world data on positive and negative pion photoproduction for photon energies from 3 to 8GeV. In this region resonance contributions are expected to be negligible so that the available experimental information on differential cross-sections and single polarization observables at - t <= 2 GeV2 allows us to determine the non-resonant part of the reaction amplitude reliably. The model amplitude is then used to predict observables for photon energies below 3GeV. Differences between our predictions and data in this energy region are systematically examined as possible signals for the presence of excited baryons. We find that the data available for the polarized photon asymmetry show promising resonance signatures at invariant energies around 2GeV. With regard to differential cross-sections the analysis of negative pion photoproduction data, obtained recently at JLab, indicates likewise the presence of resonance structures around 2GeV. C1 Thomas Jefferson Natl Accelerator Facil, EBAC, Newport News, VA 23606 USA. Univ Bonn, Helmholtz Inst Strahlen & Kernphys Theorie, D-53115 Bonn, Germany. Forschungszentrum Julich, Inst Kernphys Theorie, D-52425 Julich, Germany. Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. Thomas Jefferson Natl Accelerator Facil, Ctr Theory, Newport News, VA 23606 USA. Coll William & Mary, Williamsburg, VA 23187 USA. RP Haidenbaeur, J (reprint author), Thomas Jefferson Natl Accelerator Facil, EBAC, Newport News, VA 23606 USA. EM j.haidenbauer@fz-juelich.de RI Thomas, Anthony/G-4194-2012; OI Thomas, Anthony/0000-0003-0026-499X; Krewald, Siegfried/0000-0002-8596-8429 NR 163 TC 19 Z9 19 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6001 J9 EUR PHYS J A JI Eur. Phys. J. A PD OCT PY 2007 VL 34 IS 1 BP 49 EP 68 DI 10.1140/epja/i2007-10482-6 PG 20 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 226IU UT WOS:000250583500007 ER PT J AU Beaujour, JML Chen, W Krycka, K Kao, CC Sun, JZ Kent, AD AF Beaujour, J. -M. L. Chen, W. Krycka, K. Kao, C. -C. Sun, J. Z. Kent, A. D. TI Ferromagnetic resonance study of sputtered Co vertical bar Ni multilayers SO EUROPEAN PHYSICAL JOURNAL B LA English DT Article ID MAGNETIZATION REVERSAL; CO/NI MULTILAYERS; SPIN; FILMS; ANISOTROPY; SURFACES; COBALT; LAYERS AB We report on room temperature ferromagnetic resonance (FMR) studies of [ t Co vertical bar 2t Ni] x N sputtered films, where 0.1 <= t <= 0.6 nm. Two series of films were investigated: films with the same number of Co vertical bar Ni bilayer repeats (N = 12), and samples in which the overall magnetic layer thickness is kept constant at 3.6 nm (N = 1.2/ t). The FMR measurements were conducted with a high frequency broadband coplanar waveguide up to 50 GHz using a flip-chip method. The resonance field and the full width at half maximum were measured as a function of frequency for the field in-plane and field normal to the plane, and as a function of angle to the plane for several frequencies. For both sets of films, we find evidence for the presence of first and second order anisotropy constants, K-1 and K-2. The anisotropy constants are strongly dependent on the thickness t, and to a lesser extent on the total thickness of the magnetic multilayer. The Lande g-factor increases with decreasing t and is practically independent of the multilayer thickness. The magnetic damping parameter a, estimated from the linear dependence of the linewidth Delta H, on frequency, in the field in-plane geometry, increases with decreasing t. This behaviour is attributed to an enhancement of spin-orbit interactions with decreasing Co layer thickness and in thinner films, to a spin-pumping contribution to the damping. C1 [Beaujour, J. -M. L.; Chen, W.; Kent, A. D.] NYU, Dept Phys, New York, NY 10003 USA. [Sun, J. Z.] IBM TJ Watson Res Ctr, Yorktown Hts, NY 10598 USA. [Krycka, K.; Kao, C. -C.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Beaujour, JML (reprint author), NYU, Dept Phys, 4 Washington Pl, New York, NY 10003 USA. EM jmb22@nyu.edu; andy.kent@nyu.edu RI Sun, Jonathan/C-2773-2009 NR 35 TC 56 Z9 56 U1 1 U2 45 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 1434-6028 J9 EUR PHYS J B JI Eur. Phys. J. B PD OCT PY 2007 VL 59 IS 4 BP 475 EP 483 DI 10.1140/epjb/e2007-00071-1 PG 9 WC Physics, Condensed Matter SC Physics GA 282HL UT WOS:000254558300010 ER PT J AU Farchioni, F Montvay, I Munster, G Scholz, EE Sudmann, T Wuilloud, J AF Farchioni, F. Montvay, I. Muenster, G. Scholz, E. E. Sudmann, T. Wuilloud, J. TI Hadron masses in QCD with one quark flavour SO EUROPEAN PHYSICAL JOURNAL C LA English DT Article ID YANG-MILLS THEORY; CHIRAL PERTURBATION-THEORY; ORIENTIFOLD FIELD-THEORIES; IMPROVED LATTICE ACTION; CONTINUUM-LIMIT; GAUGE-THEORIES; DYNAMICAL FERMIONS; STAGGERED FERMIONS; SYMMETRY-BREAKING; DECAY CONSTANTS AB One-flavour QCD - a gauge theory with SU(3) colour gauge group and a fermion in the fundamental representation - is studied by Monte Carlo simulations. The mass spectrum of the hadronic bound states is investigated in a volume with extensions of L similar or equal to 4.4r(0) (similar or equal to 2.2 fm) at two different lattice spacings: a similar or equal to 0.37r(0) (similar or equal to 0.19 fm) and a similar or equal to 0.27r(0) (similar or equal to 0.13 fm). The lattice action is a Symanzik tree-level improved Wilson action for the gauge field and an (unimproved) Wilson action for the fermion. C1 Univ Munster, Inst Theoret Phys, D-48149 Munster, Germany. DESY, Deutsch Elektronen Synchrotron, D-22603 Hamburg, Germany. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Farchioni, F (reprint author), Univ Munster, Inst Theoret Phys, Wilhelm Klemm Str 9, D-48149 Munster, Germany. EM montvay@mail.desy.de OI Munster, Gernot/0000-0002-1836-3630 NR 56 TC 12 Z9 12 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6044 EI 1434-6052 J9 EUR PHYS J C JI Eur. Phys. J. C PD OCT PY 2007 VL 52 IS 2 BP 305 EP 314 DI 10.1140/epjc/s10052-007-0394-4 PG 10 WC Physics, Particles & Fields SC Physics GA 212YX UT WOS:000249634100005 ER PT J AU Omtvedt, JP Alstad, J Bjornstad, T Dullmann, CE Gregorich, KE Hoffman, DC Nitsche, H Opel, K Polakova, D Samadani, F Schulz, F Skarnemark, G Stavsetra, L Sudowe, R Zheng, L AF Omtvedt, J. P. Alstad, J. Bjornstad, T. Duellmann, Ch. E. Gregorich, K. E. Hoffman, D. C. Nitsche, H. Opel, K. Polakova, D. Samadani, F. Schulz, F. Skarnemark, G. Stavsetra, L. Sudowe, R. Zheng, L. TI Chemical properties of the transactinide elements studied in liquid phase with SISAK SO EUROPEAN PHYSICAL JOURNAL D LA English DT Article; Proceedings Paper CT Workshop on the Atomic Properties of the Heaviest Elements CY SEP 25-27, 2006 CL Chiemsee, GERMANY ID CARRIER-FREE W-176,W-177; SOLVENT-EXTRACTION; SYSTEM; HF; TOLUENE; ONLINE; MO-99; AM; CM; TM AB This article starts with a review of the current SISAK liquid-liquid extraction system, as used after the physical preseparator BGS at LBNL for chemical studies of transactinide elements. Emphasis will be on new additions and developments. Then the possibilities offered by the new TASCA separator at GSI and the use of actinide targets at both GSI and LBNL are discussed with respect to future SISAK transactinide experiments. Finally, current and future liquid-liquid extraction systems for studying elements Rf up to Hs are discussed. C1 Lawrence Berkeley Lab, Div Nucl Sci, Berkeley, CA 94720 USA. Univ Nevada, Dept Hlth Phys, Las Vegas, NV 89154 USA. Univ Oslo, Ctr Accelerator Res & Energy Phys, N-0315 Oslo, Norway. Chalmers, Dept Chem & Biol Engn, S-41296 Gothenburg, Sweden. Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Omtvedt, JP (reprint author), Gesell Schwerionenforsch mbH, Planckstr 1, D-64291 Darmstadt, Germany. EM j.p.omtvedt@kjemi.uio.no RI Omtvedt, Jon Petter/C-8194-2011; Schelonka, Darina/D-2557-2015 OI Omtvedt, Jon Petter/0000-0002-1822-7348; NR 25 TC 16 Z9 17 U1 1 U2 8 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 1434-6060 J9 EUR PHYS J D JI Eur. Phys. J. D PD OCT PY 2007 VL 45 IS 1 BP 91 EP 97 DI 10.1140/epjd/e2007-00214-6 PG 7 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 211KX UT WOS:000249523800015 ER PT J AU Gibson, JK Haire, RG Marcalo, J Santos, M Leal, JP de Matos, AP Tyagi, R Mrozik, MK Pitzer, RM Bursten, BE AF Gibson, J. K. Haire, R. G. Marcalo, J. Santos, M. Leal, J. P. Pires de Matos, A. Tyagi, R. Mrozik, M. K. Pitzer, R. M. Bursten, B. E. TI FTICR/MS studies of gas-phase actinide ion reactions: fundamental chemical and physical properties of atomic and molecular actinide ions and neutrals SO EUROPEAN PHYSICAL JOURNAL D LA English DT Article; Proceedings Paper CT Workshop on the Atomic Properties of the Heaviest Elements CY SEP 25-27, 2006 CL Chiemsee, GERMANY ID RESONANCE MASS-SPECTROMETRY; IONIZATION ENERGIES; AQUEOUS-SOLUTION; URANYL DICATION; CHEMISTRY; DENSITY; THERMOCHEMISTRY; OXIDATION; CONTROVERSY; POTENTIALS AB Fundamental aspects of the chemical and physical properties of atomic and molecular actinide ions and neutrals are being examined by Fourier transform ion cyclotron resonance mass spectrometry (FTICR/MS). To date, gas-phase reactivity studies of bare and ligated An(+) and An(2+) ions, where An = Th, Pa, U, Np, Pu, Am, and Cm, with oxidants and with hydrocarbons have been performed. Among the information that has been deduced from these studies are thermodynamic properties of neutral and ionic actinide oxide molecules and the role of the 5f electrons in actinide chemistry. Parallel theoretical studies of selected actinide molecular ions have also been carried out to substantiate the interpretation of the experimental observations. C1 Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. Inst Tecnol & Nucl, Dept Quim, P-2686 Sacavem, Portugal. Ohio State Univ, Dept Chem, Columbus, OH 43210 USA. Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. RP Gibson, JK (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. EM gibsonjk@ornl.gov; jmarcalo@itn.pt RI Leal, Joao/C-2386-2008; Marcalo, Joaquim/J-5476-2013; PTMS, RNEM/C-1589-2014; Santos, Marta/A-2411-2012; OI Leal, Joao/0000-0003-1235-0107; Marcalo, Joaquim/0000-0001-7580-057X; Pires de Matos, Antonio/0000-0001-6451-8050; Santos, Marta/0000-0002-8755-9442; Pires de Matos, Antonio/0000-0003-2674-6938 NR 42 TC 11 Z9 11 U1 0 U2 10 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6060 J9 EUR PHYS J D JI Eur. Phys. J. D PD OCT PY 2007 VL 45 IS 1 BP 133 EP 138 DI 10.1140/epjd/e2007-00151-4 PG 6 WC Optics; Physics, Atomic, Molecular & Chemical SC Optics; Physics GA 211KX UT WOS:000249523800022 ER PT J AU Song, B Chen, W Antoun, BR Frew, DJ AF Song, B. Chen, W. Antoun, B. R. Frew, D. J. TI Determination of early flow stress for ductile specimens at high strain rates by using a SHPB SO EXPERIMENTAL MECHANICS LA English DT Article DE Split Hopkinson pressure bar (SHPB); ductile materials; constant strain rates; flow stress; yield strength ID HOPKINSON PRESSURE BAR; PULSE-SHAPING TECHNIQUES; WIDE-RANGE; BEHAVIOR; ALUMINUM; METALS; COPPER AB In a dynamic experiment to obtain the high-rate stress-strain response of a ductile specimen, it takes a finite amount of time for the strain rate in the specimen to increase from zero to a desired level. The strain in the specimen accumulates during this strain-rate ramping time. If the desired strain rate is high, the specimen may yield before the desired rate is attained. In this case, the strain rates at yielding and early plastic flow are lower than the desired value, leading to inaccurate determination of the yield strength. Through experimentation and analysis, we examined the validity and accuracy of the flow stresses for ductile materials in a split Hopkinson pressure (SHPB) bar experiment. The upper strain-rate limit for determining the dynamic yield strength of ductile materials with a SHPB is identified. C1 Purdue Univ, Sch AAE, W Lafayette, IN 47907 USA. Purdue Univ, Sch MSE, W Lafayette, IN 47907 USA. Sandia Natl Labs, Livermore, CA 94551 USA. Sandia Natl Labs, Albuquerque, NM 87184 USA. RP Chen, W (reprint author), Purdue Univ, Sch AAE, W Lafayette, IN 47907 USA. EM wchen@purdue.edu RI Song, Bo/D-3945-2011 NR 27 TC 14 Z9 19 U1 0 U2 10 PU SPRINGER PI NEW YORK PA 233 SPRING STREET, NEW YORK, NY 10013 USA SN 0014-4851 J9 EXP MECH JI Exp. Mech. PD OCT PY 2007 VL 47 IS 5 BP 671 EP 679 DI 10.1007/s11340-007-9048-6 PG 9 WC Materials Science, Multidisciplinary; Mechanics; Materials Science, Characterization & Testing SC Materials Science; Mechanics GA 212VC UT WOS:000249623900009 ER PT J AU Kenny, PA AF Kenny, Paraic A. TI Tackling EGFR signaling with TACE antagonists: a rational target for metalloprotease inhibitors in cancer SO EXPERT OPINION ON THERAPEUTIC TARGETS LA English DT Review DE ADAM 17; cancer; EGFR; metalloprotease inhibitor; sheddase ID GROWTH-FACTOR-RECEPTOR; CELL LUNG-CANCER; NECROSIS-FACTOR-ALPHA; METASTATIC BREAST-CANCER; GENE COPY NUMBER; MATRIX METALLOPROTEINASES; PHASE-II; CONVERTING-ENZYME; RHEUMATOID-ARTHRITIS; PROTEIN EXPRESSION AB TNF-alpha converting enzyme (TACE/ADAM17) is a transmembrane metalloprotease that plays a key role in the cleavage and mobilization of receptor ligands that are initially synthesized as membrane-tethered precursors. For many years, attention has focused on the role of TACE-dependent TNF-alpha cleavage in arthritis and, more recently, it has become apparent that TACE also plays an important role in regulating epidermal growth factor receptor activity in several tumor types. This review presents the background to these findings and a rationale for the continued development of TACE inhibitors for the treatment of epidermal growth factor receptor-dependent epithelial tumors. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Kenny, PA (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Div Life Sci, 1 Cyclotron Rd,MS977-225A, Berkeley, CA 94720 USA. EM pakenny@lbl.gov RI Kenny, Paraic/A-3120-2008 NR 98 TC 22 Z9 23 U1 0 U2 2 PU INFORMA HEALTHCARE PI LONDON PA TELEPHONE HOUSE, 69-77 PAUL STREET, LONDON EC2A 4LQ, ENGLAND SN 1472-8222 J9 EXPERT OPIN THER TAR JI Expert Opin. Ther. Targets PD OCT PY 2007 VL 11 IS 10 BP 1287 EP 1298 DI 10.1517/14728222.11.10.1287 PG 12 WC Pharmacology & Pharmacy SC Pharmacology & Pharmacy GA 221HN UT WOS:000250218100004 PM 17907959 ER PT J AU Appella, E Anderson, CW AF Appella, Ettore Anderson, Carl W. TI Introduction: Post-translational modifications - S-palmitoylation, proline isomerization, disulfide bond isomerization SO FEBS JOURNAL LA English DT Editorial Material C1 NIH, Natl Canc Inst, Cell Biol Lab, Bethesda, MD 20892 USA. Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Appella, E (reprint author), NIH, Natl Canc Inst, Cell Biol Lab, Bethesda, MD 20892 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 1742-464X J9 FEBS J JI FEBS J. PD OCT PY 2007 VL 274 IS 20 BP 5201 EP 5201 DI 10.1111/j.1742-4658.2007.06055.x PG 1 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 216MP UT WOS:000249882400001 ER PT J AU Moissl, C Osman, S La Duc, MT Dekas, A Brodie, E DeSantis, T Venkateswaran, K AF Moissl, Christine Osman, Shariff La Duc, Myron T. Dekas, Anne Brodie, Eoin DeSantis, Tadd Venkateswaran, Kasthuri TI Molecular bacterial community analysis of clean rooms where spacecraft are assembled (vol 61, pg 509, 2007) SO FEMS MICROBIOLOGY ECOLOGY LA English DT Correction C1 CALTECH, Jet Propuls Lab, Biotechnol & Planetary Protect Grp, Pasadena, CA 91125 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Ctr Environm Biotechnol, Berkeley, CA 94720 USA. RP Moissl, C (reprint author), CALTECH, Jet Propuls Lab, Biotechnol & Planetary Protect Grp, Pasadena, CA 91125 USA. RI Moissl-Eichinger, Christine/A-6682-2015; Brodie, Eoin/A-7853-2008 OI Moissl-Eichinger, Christine/0000-0001-6755-6263; Brodie, Eoin/0000-0002-8453-8435 NR 2 TC 1 Z9 1 U1 1 U2 4 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0168-6496 J9 FEMS MICROBIOL ECOL JI FEMS Microbiol. Ecol. PD OCT PY 2007 VL 62 IS 1 BP 131 EP 131 DI 10.1111/j.1574-6941.2007.00385.x PG 1 WC Microbiology SC Microbiology GA 215QR UT WOS:000249824600013 ER PT J AU Durbin, SG Yoda, M Abdel-Khalik, SI AF Durbin, S. G. Yoda, M. Abdel-Khalik, S. I. TI Initial conditions and near-field dynamics in turbulent liquid sheets SO FLOW TURBULENCE AND COMBUSTION LA English DT Article DE liquid sheets; turbulent breakup; free-surface waves ID STILL GASES; SURFACE; JETS; FLOW; BREAKUP; DESIGN; NOZZLE; WAVES; DROP; HOLE AB High-speed liquid "curtains" have been proposed to protect solid structures in fusion energy applications. Minimizing free-surface waves and spray formation in such flows is important for effective protection in this application. In this work, free-surface waves and turbulent breakup were studied experimentally in jets of water issuing from a rectangular nozzle into ambient air at a Reynolds number of 1.2x10(5). Laser-Doppler anemometry was used to characterize the streamwise and transverse velocity components in the nozzle for two different flow calming section designs. Planar laser-induced fluorescence was used to measure the free-stream position in the near-field of the sheet. The results suggest that transverse velocity fluctuations in the nozzle are the primary factor in determining the amplitudes of free-surface waves. Removing a small amount of low-speed fluid immediately downstream of the nozzle exit ("boundary-layer cutting") is shown to both significantly reduce free-surface waves and the amount of spray due to turbulent breakup. Overall, boundary-layer cutting appears to have the greatest benefit when used on a "well-conditioned" turbulent liquid sheet. C1 Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Yoda, M (reprint author), Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. EM minami.yoda@me.gatech.edu NR 22 TC 0 Z9 0 U1 0 U2 2 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1386-6184 J9 FLOW TURBUL COMBUST JI Flow Turbul. Combust. PD OCT PY 2007 VL 79 IS 3 BP 307 EP 320 DI 10.1007/s10494-007-9092-4 PG 14 WC Thermodynamics; Mechanics SC Thermodynamics; Mechanics GA 209RI UT WOS:000249405300006 ER PT J AU Moschler, WW Hanson, GR Gee, TF Killough, SM Wilgen, JB AF Moschler, William W. Hanson, Gregory R. Gee, Timothy F. Killough, Stephen M. Wilgen, John B. TI Microwave moisture measurement system for lumber drying SO FOREST PRODUCTS JOURNAL LA English DT Article AB The goal of this project was to develop a prototype moisture sensor system suitable for a hardwood dry kiln based on the microwave transmission measurements of the complex dielectric constant of the wood. In this project, prototypes of two designs of microwave-based moisture sensor probes (launchers) working in the frequency range from 4.5 GHz to 6 GHz were developed and tested. A prototype set of battery powered electronics that both provides the microwave excitation and records the amplitude and phase of the returned signal after passing through the wood was built and tested. The sensors and electronics built in this project allow a swept frequency microwave transmission measurement through a small area of a board. Using the prototype electronics and launchers, measurements of moisture content (MC) over a range of 6 percent to 70 percent MC for red oak and 6 percent to 100 percent for yellow-poplar with standard deviations of less than 1. 5 percent MC have been obtained. C1 Univ Tennessee, Tennessee Forest Prod Ctr, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Engn Sci & Technol Div, Oak Ridge, TN USA. RP Moschler, WW (reprint author), Univ Tennessee, Tennessee Forest Prod Ctr, Knoxville, TN 37996 USA. EM bmoschle@utk.edu; hansongr@ornl.gov; geetf@onil.gov; killoughsm@ornl.gov; wilgenjb@ornl.gov NR 8 TC 3 Z9 3 U1 0 U2 0 PU FOREST PRODUCTS SOC PI MADISON PA 2801 MARSHALL COURT, MADISON, WI 53705-2295 USA SN 0015-7473 J9 FOREST PROD J JI For. Prod. J. PD OCT PY 2007 VL 57 IS 10 BP 69 EP 74 PG 6 WC Forestry; Materials Science, Paper & Wood SC Forestry; Materials Science GA 225BJ UT WOS:000250491800010 ER PT J AU Lyon, JF Nelson, BE Benson, RD Berry, LA Cole, MJ Fogarty, PJ Freudenberg, KD Goranson, PL Harris, JH Heitzenroeder, P Lurnsdaine, AD Madhukar, MA Neilson, GH Shannon, TE Spong, DA AF Lyon, J. F. Nelson, B. E. Benson, R. D. Berry, L. A. Cole, M. J. Fogarty, P. J. Freudenberg, K. D. Goranson, P. L. Harris, J. H. Heitzenroeder, P. Lurnsdaine, A. D. Madhukar, M. A. Neilson, G. H. Shannon, T. E. Spong, D. A. TI Recent advances in design and R&D for the Quasi-Poloidal Stellarator experiment SO FUSION ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 24th Symposium on Fusion Technology (SOFT-24) CY SEP 11-15, 2006 CL Warsaw, POLAND DE stellarator; magnet; magnet R&D AB Engineering innovation is required to reduce cost and risk in fabrication for the Quasi-Poloidal Stellarator being developed to test key physics issues at very low plasma aspect ratio. Complex, highly accurate, stainless steel modular coil winding forms are cast and machined; conductor is wound directly onto the winding forms; a vacuum-tight cover is welded over each coil pack; the coils are vacuum pressure impregnated; the completed coils are installed in an external vacuum vessel. An internally cooled, compacted cable conductor that can be wound into complex 3-D shapes was developed. The largest and most complex of the winding forms has been cast using a patternless process (machined sand molds) and a high-temperature pour. The resulting casting required <1/10 the major weld repairs of similar sand castings using conventional patterns. As a result, QPS differs significantly in design and construction from other toroidal devices. Published by Elsevier B.V. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Univ Tennessee, Knoxville, TN 37918 USA. Princeton Plasma Phys Lab, Princeton, NJ 08502 USA. RP Nelson, BE (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM nelsonbe@ornl.gov RI Spong, Donald/C-6887-2012 OI Spong, Donald/0000-0003-2370-1873 NR 0 TC 0 Z9 0 U1 1 U2 5 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 J9 FUSION ENG DES JI Fusion Eng. Des. PD OCT PY 2007 VL 82 IS 5-14 BP 575 EP 582 DI 10.1016/j.fusengdes.2007.03.059 PG 8 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 228QL UT WOS:000250744500020 ER PT J AU Swain, DW Goulding, RH AF Swain, D. W. Goulding, R. H. TI ITER ion cyclotron system: Overview and plans SO FUSION ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 24th Symposium on Fusion Technology (SOFT-24) CY SEP 11-15, 2006 CL Warsaw, POLAND DE ITER; ion cyclotron AB The ITER ion cyclotron (IC) system is required to deliver 20 MW of rf power to the plasma for a pulse length of up to 1000 s. The system must operate over the 40-55-MHz frequency range, and deliver the power to the plasma over a range of plasma conditions, including ELMy H-mode operation that will cause significant transient changes in the loading of the antenna by the plasma. In addition, it must be reliable and survive in the ITER environment. This paper is an overview of the status of the design, the R&D effort, and the schedule to deliver the IC system components to ITER. Details of the design are in accompanying papers by members of the Participant Teams working on the subsystems. (c) 2007 Elsevier B.V. All rights reserved. C1 ITER Int Team, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Swain, DW (reprint author), ITER Int Team, POB 2008, Oak Ridge, TN 37831 USA. EM swaindw@omi.gov RI Goulding, Richard/C-5982-2016 OI Goulding, Richard/0000-0002-1776-7983 NR 7 TC 17 Z9 17 U1 0 U2 0 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 J9 FUSION ENG DES JI Fusion Eng. Des. PD OCT PY 2007 VL 82 IS 5-14 BP 603 EP 609 DI 10.1016/j.fusengdes.2007.05.056 PG 7 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 228QL UT WOS:000250744500023 ER PT J AU Vrancken, M Mayoral, ML Blackman, T Bobkov, VV Child, D Dumortier, P Durodie, F Evrard, M Goulding, RH Graham, M Huygen, S Lamalle, PU Louche, F Messiaen, AM Monakhov, I Nightingale, MPS Noterdaeme, JM Ongena, J Stork, D Vervier, M Walden, A Whitehurst, A AF Vrancken, M. Mayoral, M. -L. Blackman, T. Bobkov, Vl. V. Child, D. Dumortier, P. Durodie, F. Evrard, M. Goulding, R. H. Graham, M. Huygen, S. Lamalle, P. U. Louche, F. Messiaen, A. M. Monakhov, I. Nightingale, M. P. S. Noterdaeme, J. -M. Ongena, J. Stork, D. Vervier, M. Walden, A. Whitehurst, A. CA JET-EFDA contributors TI Recent ICRF developments at JET SO FUSION ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 24th Symposium on Fusion Technology (SOFT-24) CY SEP 11-15, 2006 CL Warsaw, POLAND DE ICRF; antenna; matching ID PLUG-IN; ANTENNA; ITER; LOAD; SYSTEM AB The ion cyclotron resonance frequency (ICRF) heating system on JET is currently being upgraded to validate new matching concepts in view of coupling ICRF power to ITER-like plasmas and to further increase the total additional heating power on JET. The present paper reports on first testbed results from the new JET ITER-like antenna as well as on the first use of the newly installed hybrid couplers between two of the existing A2 antennas. Several other on-going improvements, such as improved trip management system, external conjugate-T matching circuit and arc detection systems are also discussed. (C) 2007 Elsevier B.V. All rights reserved. C1 Royal Mil Acad, Plasma Phys Lab, Assoc EURATOM Belgian State, B-1000 Brussels, Belgium. UKAEA Euratom Fus Assoc, Culham Sci Ctr, Abingdon OX14 3DB, Oxon, England. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. Univ Ghent, EESA Dept, B-9000 Ghent, Belgium. RP Vrancken, M (reprint author), Royal Mil Acad, Plasma Phys Lab, Assoc EURATOM Belgian State, B-1000 Brussels, Belgium. EM Mark.Vrancken@jet.uk RI Goulding, Richard/C-5982-2016 OI Goulding, Richard/0000-0002-1776-7983 NR 15 TC 7 Z9 7 U1 0 U2 0 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 J9 FUSION ENG DES JI Fusion Eng. Des. PD OCT PY 2007 VL 82 IS 5-14 BP 873 EP 880 DI 10.1016/j.fusengdes.2007.05.019 PG 8 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 228QL UT WOS:000250744500062 ER PT J AU Murari, A Edlington, T Brzozowski, J De la Luna, E Andrew, P Arnoux, G Cecil, FE Cupido, L Darrow, D Kiptily, V Fessey, J Gauthier, E Hacquin, S Hill, K Huber, A Loarer, T McCormicki, K Reichi, M AF Murari, A. Edlington, T. Brzozowski, J. De la Luna, E. Andrew, P. Arnoux, G. Cecil, F. E. Cupido, L. Darrow, D. Kiptily, V. Fessey, J. Gauthier, E. Hacquin, S. Hill, K. Huber, A. Loarer, T. McCormicki, K. Reichi, M. TI JET new diagnostic capability on the route to ITER SO FUSION ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 24th Symposium on Fusion Technology (SOFT-24) CY SEP 11-15, 2006 CL Warsaw, POLAND DE plasma diagnostics; ITER; JET AB The JET scientific programme is directed towards the development of ITER relevant scenarios. In support of this, significant effort has been made to develop diagnostics to better characterise the power deposition on the plasma facing components, to investigate in more detail the radiation losses particularly in the divertor region and to better detect Magneto Hydrodynamic Modes (MHD) instabilities and their effects on fast ion confinement. A new wide-angle infrared camera provides for the first time the opportunity to perform infrared thermography in the JET main chamber, even during fast events like ELMs and disruptions. A completely new bolometric system, with better spatial resolution particularly in the divertor, is now used to investigate the total radiation losses and their influence on the ELM behaviour. A new set of microwave waveguides has improved by 20 dB the signal to noise ratio of the JET X-mode reflectometers, that are now routinely used to detect MHD instabilities and in particular to localise the location of Alfven Eigenmodes. This improved diagnostic capability to monitor MHD instabilities is complemented by two new diagnostics to detect lost fast particles. Both the new scintillator probe and a poloidal array of Faraday cups have already shown clear correlations between MHD activity and ion losses at the edge. (C) 2007 Elsevier B.V. All rights reserved. C1 Assoc EUROTOM ENEA Fus, I-35127 Padua, Italy. EURATOM, Culham Sci Ctr, Abingdon, Oxon, England. CIEMAT, Asociac EURATOM CIEMAT Fus, E-28040 Madrid, Spain. CEA Cadarache, Assoc EURATOM CEA, F-13108 St Paul Les Durance, France. Colorado Sch Mines, Golden, CO USA. Associacao IST EURATOM, CFN, P-1049001 Lisbon, Portugal. Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. Forschungszentrum Julich, Inst Plasmaphys, Assoc EURATOM FZJ,Trilateral Euregio Cluster, Julich, Germany. Max Planck Inst Plasma Phys, EURATOM Assoc, D-85748 Garching, Germany. RP Murari, A (reprint author), Assoc EUROTOM ENEA Fus, Consorzio RFX 4, I-35127 Padua, Italy. EM andrea.murari@igi.cnr.it RI GAUTHIER, Eric/E-1076-2011 NR 3 TC 4 Z9 4 U1 0 U2 2 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 J9 FUSION ENG DES JI Fusion Eng. Des. PD OCT PY 2007 VL 82 IS 5-14 BP 1161 EP 1166 DI 10.1016/j.fusengdes.2007.03.022 PG 6 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 228QL UT WOS:000250744500102 ER PT J AU Loki, K Elio, F Barabash, V Chuyanov, V Rozov, V Wang, X Chen, J Wang, L Lorenzetto, P Peacock, A Enoeda, M Nishi, H Hong, BG Jeong, Y Gervash, A Mazul, I Tanaka, T Ulrickson, M AF Loki, K. Elio, F. Barabash, V. Chuyanov, V. Rozov, V. Wang, X. Chen, J. Wang, L. Lorenzetto, P. Peacock, A. Enoeda, M. Nishi, H. Hong, B. G. Jeong, Yh. Gervash, A. Mazul, I. Tanaka, T. Ulrickson, M. TI Six-party qualification program of FW fabrication methods for ITER blanket module procurement SO FUSION ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 24th Symposium on Fusion Technology (SOFT-24) CY SEP 11-15, 2006 CL Warsaw, POLAND DE ITER; FW; qualification test; beryllium; mechanical test; heat flux test; mock-up; HIPing; brazing; CuCrZr ID DESIGN AB To guarantee acceptable quality of 1800 FW panels produced by six different parties (CN, EU, JA, KO, RF and US), a qualification program is essential. The qualification mock-up is 80 mm wide, 240 turn long and 81 mm thick with three beryllium tiles 10 mm thick. Three identical mock-ups will be fabricated by each of the six parties in 2006-2007 with the same method as for the ITER first wall panels. Heat flux tests will be performed on the qualification mock-ups in 2007-2008. The maximum design heat load on the ITER FW is 0.5 MW/m(2) x 10,000 shots and 0.25 MW/m(2) x 20,000 shots. The maximum heat flux due to MARFE (multifaceted axisymmetric radiation from the edge): 0.5-1.4 MW/m(2) (Up to 10s duration) also needs to be taken into account in the heat load test conditions. Mechanical tests of joints are required using standardized methods. Only parties which have satisfied the acceptance criteria of the qualification tests can proceed to the procurement stage of the ITER FW. Semi-prototypes are also proposed before the ITER FW manufacturing. (c) 2007 Elsevier B.V. All rights reserved. C1 ITER Int Team, D-85748 Garching, Germany. SW Inst Phys, CNPT, Chengdu 610041, Peoples R China. EUPT Garching, D-85748 Garching, Germany. Naka Fus Inst, JAPT, Naka, Ibaraki 3110193, Japan. KOPT NFRC, Taejon 305333, South Korea. Efremov Inst, RFPT Sintez, St Petersburg 189631, Russia. Sandia Natl Labs, USPT, Albuquerque, NM 87185 USA. RP Loki, K (reprint author), ITER Int Team, D-85748 Garching, Germany. EM Kimihiro.loki@iter.org NR 3 TC 8 Z9 8 U1 0 U2 1 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 J9 FUSION ENG DES JI Fusion Eng. Des. PD OCT PY 2007 VL 82 IS 15-24 BP 1774 EP 1780 DI 10.1016/j.fusengdes.2007.02.013 PG 7 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 231WO UT WOS:000250980100023 ER PT J AU Youchison, DL Lutz, TJ Williams, B Nygren, RE AF Youchison, D. L. Lutz, T. J. Williams, B. Nygren, R. E. TI High heat flux testing of a helium-cooled tungsten tube with porous foam SO FUSION ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 24th Symposium on Fusion Technology (SOFT-24) CY SEP 11-15, 2006 CL Warsaw, POLAND DE helium cooling; plasma-facing components; tungsten; high heat flux ID EXCHANGER AB Utramet, Inc. fabricated one-piece heat exchanger tubes of chemical vapor deposited (CVD) tungsten (W), each with an internal porous mesh fused along either 51 or 38 mm of the axial length of a tube 15 mm in outer diameter. The open porous mesh has a structure of joined ligaments that combines relatively low resistance to flow and a large area for heat transfer. In tests at the Electron Beam Test Stand (EBTS) at Sandia National Laboratories, the maximum absorbed heat load was 22.4 MW/m(2) with helium at 4 MPa, flowing at 27 g/s and with inlet and outlet temperatures of 40 and 91 degrees C and a pressure drop of similar to 0.07 MPa. The preparation and testing of the samples was funded through a Phase I grant by the US Department of Energy's Small Business Innovation Research Program. The paper reports the surface temperature distribution indicated by an infrared camera, test conditions, a post-test examination in a scanning electron microscope and other details. (C) 2007 Elsevier B.V. All rights reserved. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Utramet Inc, Pacoima, CA 91331 USA. RP Nygren, RE (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM renygre@sandia.gov OI Youchison, Dennis/0000-0002-7366-1710 NR 7 TC 14 Z9 14 U1 0 U2 1 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 J9 FUSION ENG DES JI Fusion Eng. Des. PD OCT PY 2007 VL 82 IS 15-24 BP 1854 EP 1860 DI 10.1016/j.fusengdes.2007.04.004 PG 7 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 231WO UT WOS:000250980100035 ER PT J AU Tanaka, TJ Nygren, RE Youchison, DL Ulfickson, MA AF Tanaka, T. J. Nygren, R. E. Youchison, D. L. Ulfickson, M. A. TI Considerations in testing of ITER first wall mockups SO FUSION ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 24th Symposium on Fusion Technology (SOFT-24) CY SEP 11-15, 2006 CL Warsaw, POLAND DE first wall; high heat flux ID EDGE AB The International Thermonuclear Experimental Reactor (ITER) will have a first wall (FW) made up of similar to 1900 panels, each with multiple fingers of beryllium (Be) armor joined to water-cooled CuCrZr that is joined to a water-cooled stainless steel backing. The US will provide three toroidal rings of FW modules and the two-port limiters to be used during startup, and the EU, Japan, Korea, China and Russia will supply other FW modules. These ITER Partners will prepare first wall quality (FWQ) mockups, 80 mm wide with three 80 turn long Be tiles, in 2007 for a joining quality assurance test at 0.7 MW/m(2) for 12,000 cycles. Sandia will test the US FWQ mockups as well as those of some ITER Partners in its Plasma Material Test Facility. This paper reports some of our recent thermal and stress analyses, notes other work to be published elsewhere and offers comments about the nature of the testing and analysis of the FWQ mockups. Published by Elsevier B.V. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Nygren, RE (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM tjtanak@sandia.gov; renygre@sandia.gov OI Youchison, Dennis/0000-0002-7366-1710 NR 10 TC 1 Z9 1 U1 0 U2 0 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 J9 FUSION ENG DES JI Fusion Eng. Des. PD OCT PY 2007 VL 82 IS 15-24 BP 1884 EP 1892 DI 10.1016/j.fusengdes.2007.03.042 PG 9 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 231WO UT WOS:000250980100040 ER PT J AU Gamez, L Martinez, E Perlado, JM Cepas, P Caturla, MJ Victoria, M Marian, J Arevalo, C Hernandez, M Gomez, D AF Gamez, L. Martinez, E. Perlado, J. M. Cepas, P. Caturla, M. J. Victoria, M. Marian, J. Arevalo, C. Hernandez, M. Gomez, D. TI Kinetic Monte Carlo modelling of neutron irradiation damage in iron SO FUSION ENGINEERING AND DESIGN LA English DT Article; Proceedings Paper CT 24th Symposium on Fusion Technology (SOFT-24) CY SEP 11-15, 2006 CL Warsaw, POLAND DE multiscale modelling; radiation damage; nuclear fusion experiments ID SELF-INTERSTITIAL ATOM; FE; SIMULATION; CLUSTERS; MOBILITY; COPPER AB Ferritic steels (FeCr based alloys) are key materials needed to fulfill the requirements expected in future nuclear fusion facilities, both for magnetic and inertial confinement, and advanced fission reactors (GIV) and transmutation systems. Research in such field is actually a critical aspect in the European research program and abroad. Experimental and multiscale simulation methodologies are going hand by hand in increasing the knowledge of materials performance. At DENIM, it is progressing in some specific part of the well-linked simulation methodology both for defects energetics and diffusion, and for dislocation dynamics. In this study, results obtained from kinetic Monte Carlo simulations of neutron irradiated Fe under different conditions are presented, using modified ad hoc parameters. A significant agreement with experimental measurements has been found for some of the parameterization and mechanisms considered. The results of these simulations are discussed and compared with previous calculations. (C) 2007 Elsevier B.V. All rights reserved. C1 UPM, Inst Fus Nucl, Madrid, Spain. UPM, ETSII, Dept Fis Nucl, Madrid, Spain. Univ Alicante, Dept Fis Aplicada, Alicante, Spain. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. CIEMAT, E-28040 Madrid, Spain. RP Gamez, L (reprint author), UPM, Inst Fus Nucl, Madrid, Spain. EM linarejos.gamez@upm.es RI Caturla, Maria /D-6241-2012 OI Caturla, Maria /0000-0002-4809-6553 NR 14 TC 4 Z9 4 U1 1 U2 17 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0920-3796 J9 FUSION ENG DES JI Fusion Eng. Des. PD OCT PY 2007 VL 82 IS 15-24 BP 2666 EP 2670 DI 10.1016/j.fusengdes.2007.04.040 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 231WO UT WOS:000250980100156 ER PT J AU Bayramian, A Armstrong, P Ault, E Beach, R Bibeau, C Caird, J Campbell, R Chai, B Dawson, J Ebbers, C Erlandson, A Fei, Y Freitas, B Kent, R Liao, Z Ladran, T Menapace, J Molander, B Payne, S Peterson, N Randles, M Schaffers, K Sutton, S Tassano, J Telford, S Utterback, E AF Bayramian, A. Armstrong, P. Ault, E. Beach, R. Bibeau, C. Caird, J. Campbell, R. Chai, B. Dawson, J. Ebbers, C. Erlandson, A. Fei, Y. Freitas, B. Kent, R. Liao, Z. Ladran, T. Menapace, J. Molander, B. Payne, S. Peterson, N. Randles, M. Schaffers, K. Sutton, S. Tassano, J. Telford, S. Utterback, E. TI The mercury project: A high average power, gas-cooled laser for inertial fusion energy development SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on Technology of Fusion Energy CY NOV 12-16, 2006 CL Albuquerque, NM AB Hundred-joule, kilowatt-class lasers based on diode-pumped solid-state technologies, are being developed worldwide for laser-plasma interactions and as prototypes for fusion energy drivers. The goal of the Mercury Laser Project is to develop key technologies within an architectural framework that demonstrates basic building blocks for scaling to larger multi-kilojoule systems for inertial fusion energy (IFE) applications. Mercury has requirements that include: scalability to IFE beamlines, 10 Hz repetition rate, high efficiency, and 10(9) shot reliability. The Mercury laser has operated continuously for several hours at 55 J and 10 Hz with 2 fourteen 4 x 6 CM ytterbium doped strontium fluoroapatite amplifier slabs pumped by eight 100 kW diode arrays. A portion of the output 1047 nm was converted to 523 nm at 160 W average power with 73 % conversion efficiency using yttrium calcium oxy-borate (YCOB). C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Northrop Grumman Space Technol, Charlotte, NC 28273 USA. Crystal Photon Inc, Sanford, FL 32773 USA. RP Bayramian, A (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave,L-470, Livermore, CA 94551 USA. EM bayramian1@llnl.gov NR 8 TC 62 Z9 63 U1 8 U2 17 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD OCT PY 2007 VL 52 IS 3 BP 383 EP 387 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 218BB UT WOS:000249989900005 ER PT J AU Mueller, D Raman, R Bell, MG Jarboe, TR LeBlanc, B Maqueda, R Sabbagh, S Nelson, BA AF Mueller, D. Raman, R. Bell, M. G. Jarboe, T. R. LeBlanc, B. Maqueda, R. Sabbagh, S. Nelson, B. A. TI NSTX plasma start-up using transient coaxial helicity injection SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on Technology of Fusion Energy CY NOV 12-16, 2006 CL Albuquerque, NM ID TOKAMAK; SUSTAINMENT AB Future toroidal magnetic confinement fusion plasma devices such as the Component Test Facility (CTF) require non-inductive toroidal current drive. A new method of non-inductive startup, referred to as transient coaxial helicity injection (Transient CHI), has been developed on the Helicity Injected Torus (HIT-H) experiment and the National Spherical Torus Experiment (NSTX). In this method, plasma current is produced by discharging a capacitor bank between coaxial electrodes in the presence of toroidal and poloidal magnetic fields chosen such that the plasma rapidly expands into the chamber. When the injected current is rapidly decreased, magnetic reconnection occurs near the injection electrodes with the toroidal plasma current forming closed flux surfaces. In NSTX transient CHI has demonstrated closed-flux current generation of up to 160 kA, without the use of a central solenoid. Detailed experimental measurements made on NSTX include fast time-scale visible imaging of the entire process. C1 Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. Univ Washington, Seattle, WA 98195 USA. Nova Photon, Princeton, NJ 08543 USA. Columbia Univ, New York, NY 10027 USA. RP Mueller, D (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM dmueller@pppl.gov RI Sabbagh, Steven/C-7142-2011 NR 12 TC 2 Z9 2 U1 0 U2 0 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD OCT PY 2007 VL 52 IS 3 BP 393 EP 397 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 218BB UT WOS:000249989900007 ER PT J AU Moir, RW Rognlien, TD AF Moir, R. W. Rognlien, T. D. TI Axisymmetric tandem mirror magnetic fusion energy power plant with thick liquid-walls SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on Technology of Fusion Energy CY NOV 12-16, 2006 CL Albuquerque, NM ID KINETIC STABILIZER; SHEATH; FIELD AB A fusion power plant is described that utilizes a new version of the tandem mirror device including spinning liquid walls. The magnetic configuration is evaluated with an axisymmetric equilibrium code predicting an average beta of 60%. The geometry allows a flowing molten salt, (flibe-Li2BeF4), which protects the walls and structures from damage arising from neutrons and plasma particles. The surface of the liquid facing the burning plasma is heated by bremsstrahlung radiation, line radiation, and by neutrons. The temperature of the free surface of the liquid is calculated and then the evaporation rate is estimated from vapor-pressure data. The allowed impurity concentration in the burning plasma is taken as 1% fluorine, which gives a 17% reduction in the fusion power owing to D/T fuel dilution, with F line-radiation causing minor power degradation. The end leakage power density of 0.6 MW/m(2) is readily handled by liquid jets. The tritium breeding is adequate with natural lithium. The simple geometry and the use of liquid walls promise the cost Of power competitive with that from fission and coal. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Moir, RW (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM Moir1@LLNL.gov; Rognlien1@LLNL.gov NR 24 TC 6 Z9 6 U1 0 U2 0 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD OCT PY 2007 VL 52 IS 3 BP 408 EP 416 PG 9 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 218BB UT WOS:000249989900010 ER PT J AU Lawrence, RJ Chhabildas, LC AF Lawrence, R. J. Chhabildas, L. C. TI Simple models for aspects of IFE shock mitigation SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on Technology of Fusion Energy CY NOV 12-16, 2006 CL Albuquerque, NM AB Fully understanding and controlling the strong shocks generated in an IFE environment is a complex issue that will require detailed simulations using multidimensional radiation-transport hydrocodes. However, simple one-dimensional numerical and analytical models can be used to set limits on the problem. One-dimensional shock propagation and attenuation in water is first examined as a surrogate for the first-wall working fluid, FLIBE; the effects of geometry, equation of state, and loading parameters are considered. Next, using the available properties of FLIBE, the energy deposition ftom a representative x-ray load is calculated, and is then used to develop an approximate scaling relation for the peak instantaneous pressure in the material. Finally, the energy-deposition results are used to estimate the blowoff impulse, which will drive the structural response of the containment. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Lawrence, RJ (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM rjlawre@sandia.gov; lcchhab@sandia.gov NR 7 TC 0 Z9 0 U1 0 U2 1 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD OCT PY 2007 VL 52 IS 3 BP 494 EP 498 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 218BB UT WOS:000249989900025 ER PT J AU Rodriguez, SB Cook, J AF Rodriguez, Sal B. Cook, Jason TI Investigation of argon gas as a potential shock attenuator in Z-IFE chambers using alegra SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on Technology of Fusion Energy CY NOV 12-16, 2006 CL Albuquerque, NM ID ABSORPTION; IONIZATION; ATOMS AB The Z-IFE (inertialfusion energy) plant is a unique, inertial confined, fusion energy concept in which high yield targets will be ignited to fusion, yielding brief energy bursts in the 3 to 20-gigajoule range. The fusion reaction yields an energetic burst that consists principally of neutrons, X rays, and charged particles. The X rays rapidly attenuate in matter, causing the material to expand rapidly, thus generating a strong shock wave. This shock wave must be mitigated if the Z-IFE chamber is to last for a period of 30 to 50 years. ALEGRA simulations were conducted for a hypothetical Z-IFE chamber filled with argon gas and ionized by an X ray source. The calculations employed a set of sophisticated models, including Saha ionization, XSN and CDF opacities, bremsstrahlung radiation, linearized diffusion of X ray photons for a blackbody, fully-coupled magnetohydrodynamic models, electron thermal conduction, Spitzer thermal conductivity with cold material interpolation, and Mie-Gruneisen EOS. In order to obtain confidence in the results, a laser experiment from UCSD was simulated In the experiment, laser photons were used to ionize argon gas. The simulations showed that ALEGRA quite successfully calculated the measured temperature, level of ionization, and spatial evolution of the argon plasma. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Rodriguez, SB (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM sbrodri@sandia.gov; jtcook@sandia.gov NR 19 TC 1 Z9 1 U1 0 U2 2 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD OCT PY 2007 VL 52 IS 3 BP 499 EP 505 PG 7 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 218BB UT WOS:000249989900026 ER PT J AU Murphy, CJ Anderson, PM Lasnier, CJ AF Murphy, C. J. Anderson, P. M. Lasnier, C. J. TI Graphite tile thermal performance on the new DIII-D lower divertor SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on Technology of Fusion Energy CY NOV 12-16, 2006 CL Albuquerque, NM AB The lower divertor of the DIII-D tokamak has been modified to provide improved density control of the tokamak plasma during operation in a high -triangularity double-null configuration. Union Carbide ATJ grade graphite tiles covering the new lower divertor and vessel floor were designed to have better tile-to-tile alignment and to withstand higher heat flux than existing tiles. Gaps between tiles were successfully reduced from 2.5 to 0.4 mm and tile top surface alignment was greatly improved,from 1.0 to 0.1 mm. Small tile gaps along with good vertical edge alignment greatly reduce the number and size of thin edges visible to the plasma, thus minimizing possible carbon introduction into the plasma. Close tile-to-tile alignment was the result of the very flat divertor plate surface, carefully controlled tile positioning, well-machined graphite tiles, and handfiling. Tiles were specified to survive 27 MJ of energy deposited per toroidal row of tiles during a 10 s shot period. When this energy is applied over the narrow triangular heat flux profiles originally specified, modeling shows that the tiles exceed maximum allowable tensile stress. Modeling does show that the tiles are able to absorb the 27 MJ per row without exceeding stress limits in cases where the heat flux profile is less focused than the original design specification. This paper will compare tile design analysis with operational experience obtained during the first 12-week operations campaign with the new divertor. C1 Gen Atom Co, San Diego, CA 92186 USA. Lawrence Livermore Natl Lab, Livermore, CA USA. RP Murphy, CJ (reprint author), Gen Atom Co, POB 85608, San Diego, CA 92186 USA. EM murphy@fusion.gat.com NR 2 TC 2 Z9 2 U1 0 U2 1 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD OCT PY 2007 VL 52 IS 3 BP 539 EP 543 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 218BB UT WOS:000249989900032 ER PT J AU Sharafat, S Mills, A Youchison, D Nygren, R Williams, B Ghoniem, N AF Sharafat, S. Mills, A. Youchison, D. Nygren, R. Williams, B. Ghoniem, N. TI Ultra low pressure-drop helium-cooled porous-tungsten PFC SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on Technology of Fusion Energy CY NOV 12-16, 2006 CL Albuquerque, NM ID DIVERTOR; DESIGN; TUBE AB A new class of helium-cooled high heat-flux plasma facing heat exchanger (HA) concept is presented. These unique "Foam-In-Tube " HX concepts are composed of a thin tungsten shell integrally bonded to an open-cell tungsten foam core. High heat flux tests show maximum heat loads of 22.4 MW/m(2) using 4 MPa helium at a flow rate of 27 g/s. Based on these impressive performance results, a unique and scalable heat exchanger channel with ultra-low pressure drop through the porous foam is presented. The primary advantage of the new concept is that pressure drop through the porous media and structure temperatures are nearly independent of HX tube length. The concept is modular in design and can be combined to meet divertor size requirements. From a manufacturing and reliability point of view, the advantage of the proposed concept is that it minimizes the need for joining to other functional materials. C1 Univ Calif Los Angeles, Los Angeles, CA 90095 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. Ultramet Inc, Pacoima, CA 91331 USA. RP Sharafat, S (reprint author), Univ Calif Los Angeles, Los Angeles, CA 90095 USA. EM shahrams@ucla.edu; dlyouch@sandia.gov; brian.williams@ultramet.com RI Ghoniem, Nasr/A-9799-2008; OI Youchison, Dennis/0000-0002-7366-1710 NR 14 TC 10 Z9 10 U1 0 U2 1 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD OCT PY 2007 VL 52 IS 3 BP 559 EP 565 PG 7 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 218BB UT WOS:000249989900036 ER PT J AU Cadwallader, LC AF Cadwallader, L. C. TI Construction safety forecast for ITER SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on Technology of Fusion Energy CY NOV 12-16, 2006 CL Albuquerque, NM AB The International Thermonuclear Experimental Reactor (ITER) project is poised to begin its construction activity. This paper gives an estimate of construction safety as if the experiment was being built in the United States. This estimate of construction injuries and potential fatalities serves as a useful forecast of what can be expected for construction of such a major facility in any country. These data should be considered by the ITER International Team as it plans for safety during the construction phase. Based on average U.S. construction rates, ITER may expect a lost workday case rate of < 4.0 and a fatality count of 0.5 to 0.9 persons per year. C1 EG&G Idaho Inc, Idaho Natl Engn Lab, Idaho Falls, ID 83415 USA. RP Cadwallader, LC (reprint author), EG&G Idaho Inc, Idaho Natl Engn Lab, POB 1625, Idaho Falls, ID 83415 USA. EM Lee.Cadwallader@inl.gov RI Cadwallader, Lee/F-6933-2014 NR 15 TC 0 Z9 0 U1 0 U2 1 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD OCT PY 2007 VL 52 IS 3 BP 672 EP 676 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 218BB UT WOS:000249989900054 ER PT J AU Cipiti, BB Wilson, PPH Phruksarojanakun, P El-Guebal, LA AF Cipiti, B. B. Wilson, P. P. H. Phruksarojanakun, P. El-Guebal, L. A. TI Transmutation of actinides using Z-pinch fusion SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on Technology of Fusion Energy CY NOV 12-16, 2006 CL Albuquerque, NM AB Sandia National Laboratories has initiated a scoping level design of a sub-critical transmutation reactor driven by Z-Pinch fusion. The baseline design is able to burn up 1,280 kg of actinides per year while at the same time producing 3, 000 MWth. The fusion driver required for this application is 20 MW, or a 200 MJ target fired once every 10 seconds. This paper discusses how a fusion actinide burner can fit into the nuclear fuel cycle. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Univ Wisconsin, Madison, WI 53706 USA. RP Cipiti, BB (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM bbcipit@sandia.gov OI Wilson, Paul/0000-0002-8555-4410 NR 17 TC 0 Z9 0 U1 0 U2 1 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD OCT PY 2007 VL 52 IS 3 BP 731 EP 738 PG 8 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 218BB UT WOS:000249989900065 ER PT J AU El-Guebaly, L Cipiti, B Wilson, PH Phruksarojanakun, P Grady, R Sviatoslavsky, I AF El-Guebaly, L. Cipiti, B. Wilson, P. H. Phruksarojanakun, P. Grady, R. Sviatoslavsky, I. TI Engineering issues facing transmutation of actinides in Z-pinch fusion power plant SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on Technology of Fusion Energy CY NOV 12-16, 2006 CL Albuquerque, NM ID REACTORS AB The initiation of the Global Nuclear Energy Partnership includes nuclear-based transmutation devices to recycle the spent fuel. Fusion can offer an alternative to the use of fast reactors for the transmutation of actinides. At a modest fusion power of 20 W, a Z-Pinch driven sub-critical blanket can burn actinides and produce power. Several engineering issues have been examined: the effect of the sub-critical blanket and its internal fission neutrons on tritium breeding, radiation damage to structure, energy deposition and extraction, and chamber activation. Our initial assessment indicates the Z-Pinch could be an attractive option for burning actinides, but special attention should be paid to the challenging engineering, issues. C1 Univ Wisconsin, Fus Technol Inst, Madison, WI 53706 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP El-Guebaly, L (reprint author), Univ Wisconsin, Fus Technol Inst, Madison, WI 53706 USA. EM bbcipit@sandia.gov NR 9 TC 1 Z9 1 U1 0 U2 1 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD OCT PY 2007 VL 52 IS 3 BP 739 EP 743 PG 5 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 218BB UT WOS:000249989900066 ER PT J AU Phruksarojanakun, P Wilson, PPH Cipiti, BB Grady, RM AF Phruksarojanakun, P. Wilson, P. P. H. Cipiti, B. B. Grady, R. M. TI Isotopic analysis of the In-Zinerator actinide management system SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on Technology of Fusion Energy CY NOV 12-16, 2006 CL Albuquerque, NM AB Efficient burn up of minor actinides is one of the most promising alternatives for minimizing waste in advanced nuclear fuel cycles. This work examines the concept Of employing Z-pinch driven fusion source in a sub-critical transmutation reactor designed to burn up actinides and generate constant power. Its fuel cycle is designed to allow on-line fission product removal and fuel replenishment. The variation of the actinide inventory is an essential quantity used to calculate the energy multiplications and neutron spectrum, as well as to design an appropriate reactivity control mechanism. In this paper we develop a method to calculate time-dependent isotopic distributions, fuel feeding rate and fission product removal rate necessary to obtain a constant power level. The calculation is performed by using both MCise, a Monte Carlo isotopic inventory code, and MCNP5. An important feature of MCise for this system is the ability to simulate the on-line removal of fission products from the actinide mixture. In addition to reporting the actinide inventory and burn rates, the impact of the actinide inventory on the fission/fusion energy multiplication will be examined. C1 Univ Wisconsin, Fus Tech Inst, Madison, WI 53706 USA. Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Phruksarojanakun, P (reprint author), Univ Wisconsin, Fus Tech Inst, 1500 Engn Dr, Madison, WI 53706 USA. EM wilsonp@engr.wisc.edu OI Wilson, Paul/0000-0002-8555-4410 NR 3 TC 0 Z9 0 U1 0 U2 2 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD OCT PY 2007 VL 52 IS 3 BP 744 EP 751 PG 8 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 218BB UT WOS:000249989900067 ER PT J AU Rodriguez, SB Gauntt, RO Cole, R McFadden, K Gelbard, F Malczynski, L Martin, B Revankar, ST Vierow, K Louie, D Archuleta, L AF Rodriguez, Sal B. Gauntt, Randall O. Cole, Randy McFadden, Katherine Gelbard, Fred Malczynski, Len Martin, Billy Revankar, Shripad T. Vierow, Karen Louie, Dave Archuleta, Louis TI Modeling of a Z-IFE hydrogen plant using MELCOR-H2 SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 17th Topical Meeting on Technology of Fusion Energy CY NOV 12-16, 2006 CL Albuquerque, NM AB A hypothetical Z-Inertial Fusion Energy (IFE) plant was coupled to a sulfur iodine (SI) thermochemical cycle using a new version of MELCOR called MELCOR-H2. MELCOR-H2 was designed to model nuclear reactors that are coupled to thermochemical plants for the production of electricity and hydrogen. The Z-IFE input model consisted of three major system components-a fusion heat source control volume with several types of boundary conditions, an SI loop, and a Brayton secondary system. The components were coupled in order to investigate system feedback and hydrogen production. The input model was modified so that various parametric studies could be conducted. Particular emphasis was placed on plant operating temperature and maximizing hydrogen production. This paper summarizes the results of the SI system model as it was driven by temperature changes in the primary circuit that simulated those that would occur in a Z-IFE driven reactor. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Purdue Univ, W Lafayette, IN 47907 USA. OMICRON Safety & Risk, Albuquerque, NM USA. RP Rodriguez, SB (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM sbrodri@sandia.gov NR 10 TC 1 Z9 1 U1 0 U2 3 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD OCT PY 2007 VL 52 IS 3 BP 752 EP 755 PG 4 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 218BB UT WOS:000249989900068 ER PT J AU Thomas, SE Mckee, BD AF Thomas, Sharon E. McKee, Bruce D. TI Meiotic pairing and disjunction of mini-X chromosomes in drosophila is mediated by 240-bp rDNA repeats and the homolog conjunction proteins SNM and MNM SO GENETICS LA English DT Article ID ACHIASMATE SEGREGATION; SCHIZOSACCHAROMYCES-POMBE; CAENORHABDITIS-ELEGANS; MALE MEIOSIS; C-ELEGANS; MELANOGASTER; SITES; HETEROCHROMATIN; RECOMBINATION; IDENTIFICATION AB In most eukaryotes, segregation of homologous chromosomes during meiosis is dependent on crossovers that occur while the homologs are intimately paired during early prophase. Crossovers generate homolog connectors known as chiasmata that are stabilized by cohesion between sister-chromatid arms. In Drosophila males, homologs pair and segregate without recombining or forming chiasmata. Stable pairing of homologs is dependent on two proteins, SNM and MNM, that associate with chromosomes throughout meiosis I until their removal at anaphase I. SNM and MNM localize to the rDNA region of the X-Y pair, which contains 240-bp repeats that have previously been shown to function as cis-acting chromosome pairing/ segregation sites. Here! we show that heterochromatic mini-X chromosomes lacking native rDNA but carrying transgenic 240-bp repeat arrays segregate preferentially from full-length sex chromosomes and from each other. Mini-X pairs do not form autonomous bivalents but do associate at high frequency with the X-Y bivalent to form trivalents and quadrivalents. Both disjunction of mini-X pairs and multivalent formation are dependent on the presence of SNM and MNM. These results imply that 240-bp repeats function to mediate association of sex chromosomes with SNM and MNM. C1 Univ Tennessee, Dept Biochem Cellular & Mol Biol, Knoxville, TN 37996 USA. Univ Tennessee, Genome Sci & Technol Program, Knoxville, TN 37996 USA. Oak Ridge Natl Lab, Knoxville, TN 37996 USA. RP Mckee, BD (reprint author), Univ Tennessee, Dept Biochem Cellular & Mol Biol, M407 Walters Life Sci Bldg, Knoxville, TN 37996 USA. EM bdmckee@utk.edu FU NIGMS NIH HHS [R01 GM40489, R01 GM040489] NR 42 TC 4 Z9 6 U1 1 U2 1 PU GENETICS PI BALTIMORE PA 428 EAST PRESTON ST, BALTIMORE, MD 21202 USA SN 0016-6731 J9 GENETICS JI Genetics PD OCT PY 2007 VL 177 IS 2 BP 785 EP 799 DI 10.1534/genetics.107.073866 PG 15 WC Genetics & Heredity SC Genetics & Heredity GA 227LI UT WOS:000250657800011 PM 17660566 ER PT J AU Senko, JM Kelly, SD Dohnalkova, AC McDonough, JT Kemner, KM Burgos, WD AF Senko, John M. Kelly, Shelly D. Dohnalkova, Alice C. McDonough, Jeffrey T. Kemner, Kenneth M. Burgos, William D. TI The effect of U(VI) bioreduction kinetics on subsequent reoxidation of biogenic U(IV) SO GEOCHIMICA ET COSMOCHIMICA ACTA LA English DT Article ID ABSORPTION FINE-STRUCTURE; URANIUM IMMOBILIZATION; OXIDATIVE DISSOLUTION; CONTAMINATED AQUIFER; SUBSURFACE SEDIMENTS; REDUCING CONDITIONS; MINERAL FORMATION; REDUCTION; NITRATE; FE(III) AB Microbially mediated in situ reduction of soluble U(VI) to insoluble U(IV) (as UO(2)) has been proposed as a means of preventing the migration of that radionuclide with groundwater, but preventing the oxidative resolubilization of U has proven difficult. We hypothesized that relatively slow rates of U(VI) bioreduction would yield larger UO(2) precipitates that would be more resistant to oxidation than those produced by rapid U(VI) bioreduction. We manipulated U(VI) bioreduction rates by varying the density of Shewanella putrefaciens CN32 added to U(VI) containing solutions with lactate as an electron donor. Characterization of biogenic UO(2) particles by extended X-ray absorption fine-structure spectroscopy and transmission electron microscopy revealed that UO(2) nanoparticles formed by relatively slow rates of U(VI) reduction were larger and more highly aggregated than those formed by relatively rapid U(VI) reduction. UO(2) particles formed at various rates were incubated under a variety of abiotically and biologically oxidizing conditions. In all cases, UO(2) that was formed by relatively slow U(VI) reduction was oxidized at a slower rate and to a lesser extent than UO(2) formed by relatively rapid U(VI) bioreduction, suggesting that the stability Of UO(2) in situ may be enhanced by stimulation of relatively slow rates of U(VI) reduction. Published by Elsevier Ltd. C1 Penn State Univ, Dept Civil & Environm Engn, University Pk, PA 16802 USA. Argonne Natl Lab, Argonne, IL 60439 USA. Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. RP Burgos, WD (reprint author), Penn State Univ, Dept Civil & Environm Engn, 212 Sackett Bldg, University Pk, PA 16802 USA. EM wdb3@psu.edu RI ID, MRCAT/G-7586-2011 NR 73 TC 57 Z9 57 U1 2 U2 17 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 OCT 1 PY 2007 VL 71 IS 19 BP 4644 EP 4654 DI 10.1016/j.gca.2007.07.021 PG 11 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 227LZ UT WOS:000250659500002 ER PT J AU Kozaci, O Dolan, J Finkel, R Hartleb, R AF Kozaci, Oezguer Dolan, James Finkel, Robert Hartleb, Ross TI Late Holocene slip rate for the North Anatolian fault, Turkey, from cosmogenic Cl-36 geochronology: Implications for the constancy of fault loading and strain release rates SO GEOLOGY LA English DT Article DE north Anatolian fault; geologic slip rate; cosmogenic nuclide dating; tectonic geomorphology ID RADIOCARBON CALIBRATION; EARTHQUAKES; PROGRAM AB Geomorphologic mapping and cosmogenic radionuclide (Cl-36) dating of an offset fluvial terrace yield a preferred late Holocene slip rate of 20.5 +/- 5.5 mm/yr for the central part of the North Anatolian fault, Turkey; an independent slip rate constrained by 14 C ages is 20.5 8.5 mm/yr. These rates are generally similar to, but possibly slightly slower than, the short-term rate of elastic strain storage of 25 I measured geodetically across this major strike-slip fault (Reilinger et al., 2006), suggesting that loading and strain release on this part of the North Anatolian fault have been relatively constant when averaged over the past similar to 2-2.5 k.y. We attribute this consistency to the relatively simple structure of the Anatolia-Eurasia plate boundary in north-central Turkey, where almost all plate boundary strain is accommodated along the North Anatolian fault. The absence of other moderate to high slip rate faults (and the earthquakes they produce) leads to a relatively simple stress evolution for the fault dominated by steady tectonic loading. C1 Univ So Calif, Dept Earth Sci, Los Angeles, CA 90089 USA. Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA. RP Kozaci, O (reprint author), Univ So Calif, Dept Earth Sci, Los Angeles, CA 90089 USA. EM kozaci@usc.edu NR 14 TC 40 Z9 40 U1 2 U2 10 PU GEOLOGICAL SOC AMER, INC PI BOULDER PA PO BOX 9140, BOULDER, CO 80301-9140 USA SN 0091-7613 J9 GEOLOGY JI Geology PD OCT PY 2007 VL 35 IS 10 BP 867 EP 870 DI 10.1130/G23187A.1 PG 4 WC Geology SC Geology GA 219RR UT WOS:000250102800001 ER PT J AU Abdallah, J Kilcrease, DP Magee, NH Mazevet, S Hakel, P Sherrill, ME AF Abdallah, J., Jr. Kilcrease, D. P. Magee, N. H. Mazevet, S. Hakel, P. Sherrill, M. E. TI Spectral line strength binning method for opacity calculations SO HIGH ENERGY DENSITY PHYSICS LA English DT Article DE Opacity; Plasma spectroscopy; Absorption spectra; Emission spectra; Lines AB In modern opacity calculations that employ intermediate coupling based atomic physics, it can be necessary to include the contribution of millions of spectral lines to evaluate the bound-bound part of the opacity. Unfortunately, the processing of millions of line shapes is impractical because of prohibitive computational times, therefore fast computational methods are needed. In the present work, a simple procedure is described to process line strengths and widths in finely spaced photon energy histogram bins. Line shapes are then calculated for each bin, rather than for individual spectral lines, resulting in a significant speed up of a factor of 100 or more in some cases. The method is shown to agree very well with the usual detailed line-by-line treatment for opacity calculations. (C) 2007 Elsevier B.V. All rights reserved. C1 [Abdallah, J., Jr.; Kilcrease, D. P.; Magee, N. H.; Mazevet, S.; Hakel, P.; Sherrill, M. E.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Abdallah, J (reprint author), Los Alamos Natl Lab, Div Theoret, T-4,MS B212,Box 1663, Los Alamos, NM 87545 USA. EM abd@lanl.gov; dpk@lanl.gov OI Hakel, Peter/0000-0002-7936-4231; Kilcrease, David/0000-0002-2319-5934 FU United States Department of Energy FX This work was performed under the auspices of the United States Department of Energy. NR 6 TC 7 Z9 7 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-1818 J9 HIGH ENERG DENS PHYS JI High Energy Density Phys. PD OCT PY 2007 VL 3 IS 3-4 BP 309 EP 313 DI 10.1016/j.hedp.2007.03.002 PG 5 WC Physics, Fluids & Plasmas SC Physics GA V27PW UT WOS:000208626100001 ER PT J AU Chung, HK Lee, RW Chen, MH AF Chung, H. -K. Lee, R. W. Chen, M. H. TI A fast method to generate collisional excitation cross-sections of highly charged ions in a hot dense matter SO HIGH ENERGY DENSITY PHYSICS LA English DT Article DE Collisional excitation cross-sections; Inelastic cross-sections; Gaunt factors; Plane-wave Born approximation; Non-LTE kinetics; Plasma spectroscopy; Collisional-radiative modeling; Hydrogenic model AB A method to compute collisional excitation cross-sections in jj-averaged configuration sets is presented in the framework of plane-wave Born approximation using Dirac-Hartree-Slater wave functions with appropriate low-energy corrections. When averaged into the ls configuration or hydrogenic superconfiguration sets, the results are found to compare with distorted wave calculations well within 30% on average. The cross-sections are averaged into hydrogenic cross-sections and fitted using the Gaunt factor formalism. We present analytic fit coefficients of Gaunt factors for 12 atoms of Z between 5 and 79 for hydrogenic transitions. Published by Elsevier Ltd. C1 [Chung, H. -K.; Lee, R. W.; Chen, M. H.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Chung, HK (reprint author), Lawrence Livermore Natl Lab, L-399,POB 808, Livermore, CA 94551 USA. EM hchung@llnl.gov FU U.S. Department of Energy by University of California, Lawrence Livermore Laboratory [W-7405-Eng-48] FX This work was performed under the auspices of the U.S. Department of Energy by University of California, Lawrence Livermore Laboratory under Contract W-7405-Eng-48. Authors would like to thank M. F. Gu, A. Bar-Shalom and M. Busquet. NR 28 TC 5 Z9 5 U1 0 U2 3 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-1818 J9 HIGH ENERG DENS PHYS JI High Energy Density Phys. PD OCT PY 2007 VL 3 IS 3-4 BP 342 EP 352 DI 10.1016/j.hedp.2007.07.002 PG 11 WC Physics, Fluids & Plasmas SC Physics GA V27PW UT WOS:000208626100005 ER PT J AU Symes, DR Osterhoff, J Faustlin, R Maurer, M Bernstein, AC Moore, AS Gumbrell, ET Edens, AD Smith, RA Ditmire, T AF Symes, D. R. Osterhoff, J. Faeustlin, R. Maurer, M. Bernstein, A. C. Moore, A. S. Gumbrell, E. T. Edens, A. D. Smith, R. A. Ditmire, T. TI Production of periodically modulated laser-driven blast waves in a clustering gas SO HIGH ENERGY DENSITY PHYSICS LA English DT Article DE Laser-cluster interactions; Laser-driven shocks and discontinuities; Hydrodynamic plasma instabilities; Laboratory astrophysics AB To study hydrodynamic behavior on thin shell high Mach number blast waves, experiments have been performed in which spatially tailored shock waves have been launched in a gas of clusters using an intense 35 fs laser pulse. The target medium was first modified by destroying clusters in specific locations using a spatially modulated laser focus. Under subsequent intense laser irradiation, the efficient absorption properties of the remaining clustered regions compared to those regions with no clusters led to a pattern of hot and cold plasma resulting in a cylindrical blast wave with a periodic modulation imprinted on the shock front. This technique may provide a method for studying thin shell instabilities in strongly radiative blast waves. (C) 2007 Elsevier B.V. All rights reserved. C1 [Symes, D. R.; Osterhoff, J.; Faeustlin, R.; Maurer, M.; Bernstein, A. C.; Smith, R. A.; Ditmire, T.] Univ Texas Austin, Dept Phys, Texas Ctr High Intens Laser Sci, Austin, TX 78712 USA. [Moore, A. S.; Gumbrell, E. T.] AWE Plc, Dept Plasma Phys, Reading RG7 4PR, Berks, England. [Edens, A. D.] Sandia Natl Labs, Albuquerque, NM 87059 USA. RP Symes, DR (reprint author), Rutherford Appleton Lab, Chilton OX11 0QX, Oxon, England. EM d.r.symes@rl.ac.uk FU National Nuclear Security Administration [DE-FC52-03NA00156]; DOE Office of Basic Energy Science FX We would like to acknowledge the assistance of W. Grigsby, G. Dyer, G. Hays, and discussions with E. Gaul and J. Lazarus. This work was supported by the DOE Office of Basic Energy Science and the National Nuclear Security Administration under cooperative agreement DE-FC52-03NA00156. NR 24 TC 7 Z9 7 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-1818 J9 HIGH ENERG DENS PHYS JI High Energy Density Phys. PD OCT PY 2007 VL 3 IS 3-4 BP 353 EP 357 DI 10.1016/j.hedp.2007.05.001 PG 5 WC Physics, Fluids & Plasmas SC Physics GA V27PW UT WOS:000208626100006 ER PT J AU Foord, ME Patel, PK Mackinnon, AJ Hatchett, SP Key, MH Lasinski, B Town, RPJ Tabak, M Wilks, SC AF Foord, M. E. Patel, P. K. Mackinnon, A. J. Hatchett, S. P. Key, M. H. Lasinski, B. Town, R. P. J. Tabak, M. Wilks, S. C. TI MeV proton generation and efficiency from an intense laser irradiated foil SO HIGH ENERGY DENSITY PHYSICS LA English DT Article DE Laser generated protons; Warm dense matter AB The proton energy distribution generated from the interaction of an intense (I lambda(2) approximate to 10(20) W/cm(2) mu m(2)) short-pulse (100 fs) laser with a thin foil is investigated using energy resolved measurements and 2D collisional PIC-hybrid simulations. The measured absolute proton spectrum is well matched by a 1.7 MeVexponential function for energies <11 MeV. The proton conversion efficiency from hot electrons approximate to 6%. Simulations predict a strong radial dependence on the maximum proton energy and on the radial extent of 12 angstrom hydrocarbon depletion region. C and O ions in the hydrocarbon layer gain significant energies, limiting the efficiency to the protons. The efficiency scaling for ion mixtures is derived using a simple model, and is shown to strongly depend on the cooling rate of the hot electrons. Simulations using hydrogen-rich, layered targets predict much higher efficiencies. Published by Elsevier Ltd. C1 [Foord, M. E.; Patel, P. K.; Mackinnon, A. J.; Hatchett, S. P.; Key, M. H.; Lasinski, B.; Town, R. P. J.; Tabak, M.; Wilks, S. C.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Foord, ME (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. EM foord1@llnl.gov RI Patel, Pravesh/E-1400-2011; MacKinnon, Andrew/P-7239-2014 OI MacKinnon, Andrew/0000-0002-4380-2906 FU Department of Energy [W-7405-Eng-48] FX The authors thank A. Kemp for helpful discussions. This work was performed under the auspices of the Department of Energy Contract # W-7405-Eng-48. NR 38 TC 10 Z9 10 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-1818 J9 HIGH ENERG DENS PHYS JI High Energy Density Phys. PD OCT PY 2007 VL 3 IS 3-4 BP 365 EP 370 DI 10.1016/j.hedp.2006.12.001 PG 6 WC Physics, Fluids & Plasmas SC Physics GA V27PW UT WOS:000208626100008 ER PT J AU Jones, CS Murillo, MS AF Jones, Christopher S. Murillo, Michael S. TI Analysis of semi-classical potentials for molecular dynamics and Monte Carlo simulations of warm dense matter SO HIGH ENERGY DENSITY PHYSICS LA English DT Article DE Molecular dynamics; Monte Carlo; Semi-classical potentials; Warm dense matter AB Effective, semi-classical potentials may present a powerful tool for the determination of properties of warm dense matter, systems characterized by both moderate coupling and moderate degeneracy. However, this requires the use of these potentials in a regime where the approximations employed in their derivation begin to break down. This work presents a careful analysis of the methodology and approximations used to derive semi-classical potentials for Coulomb systems. Particular attention is paid to the appearance of many-body effects and the techniques that may be used to model them. Analytical arguments and simple examples indicate that the role of many-body effects cannot be ignored in the warm dense matter regime, and those semi-classical Coulomb potentials that focus on the pair interaction do not adequately treat many-body effects. (C) 2007 Elsevier B.V. All rights reserved. C1 [Jones, Christopher S.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Murillo, Michael S.] Los Alamos Natl Lab, Div Phys, Los Alamos, NM 87545 USA. RP Jones, CS (reprint author), Los Alamos Natl Lab, Div Theoret, MS K717, Los Alamos, NM 87545 USA. EM csjones@lanl.gov; murillo@lanl.gov NR 44 TC 26 Z9 26 U1 0 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1574-1818 EI 1878-0563 J9 HIGH ENERG DENS PHYS JI High Energy Density Phys. PD OCT PY 2007 VL 3 IS 3-4 BP 379 EP 394 DI 10.1016/j.hedp.2007.02.038 PG 16 WC Physics, Fluids & Plasmas SC Physics GA V27PW UT WOS:000208626100010 ER PT J AU Qiu, J Tang, JY Wang, S Wei, J AF Qiu Jing Tang Jing-Yu Wang Sheng Wei Jie TI Studies of transverse phase space painting for the CSNS RCS injection SO HIGH ENERGY PHYSICS AND NUCLEAR PHYSICS-CHINESE EDITION LA English DT Article DE H- stripping injection; phase space painting; space-charge effects; uniformity evaluation parameters ID DESIGN AB The China Spallation Neutron Source (CSNS) accelerators consist of an 80MeV proton linac, and a 1.6GeV rapid cycling synchrotron. The ring accumulates 1.88x 10(13) protons via H- stripping injection in the phase CSNS- I. The injected beam is painted into a large transverse phase space to alleviate space-charge effects. The uniformity of the beam emittance after the injection is important in reducing the tune shift/spread due to the space-charge effects. The paper introduces three parameters to evaluate the uniformity of a beam distribution. To control emittance growth and reduce halo generation, different painting schemes have been compared by using the 3D simulation code ORBIT. The detailed studies on painting schemes and the dependence on the lattice tune, the injection peak current, and chopping rate are also presented. C1 Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China. Brookhaven Natl Lab, Upton, NY 11973 USA. Grad Univ Chinese Acad Sci, Beijing 100049, Peoples R China. RP Tang, JY (reprint author), Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China. EM tangjy@ihep.ac.cn RI tang, jingyu/B-1022-2008 NR 4 TC 4 Z9 4 U1 0 U2 0 PU SCIENCE CHINA PRESS PI BEIJING PA 16 DONGHUANGCHENGGEN NORTH ST, BEIJING 100717, PEOPLES R CHINA SN 0254-3052 J9 HIGH ENERG PHYS NUC JI High Energy Phys. Nucl. Phys.-Chin. Ed. PD OCT PY 2007 VL 31 IS 10 BP 942 EP 946 PG 5 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 217VQ UT WOS:000249975800009 ER PT J AU Archibald, R Fann, G AF Archibald, Rick Fann, George TI Feature selection and classification of hyperspectral images, with support vector machines SO IEEE GEOSCIENCE AND REMOTE SENSING LETTERS LA English DT Article DE feature selection; hyperspectral images; support vector machines (SVMs) AB Hyperspectral images consist of large number of bands which require sophisticated analysis to extract. One approach to reduce computational cost, information representation, and accelerate knowledge discovery is to eliminate bands that do not add value to the classification and analysis method which is being applied. In particular, algorithms that perform band elimination should be designed to take advantage of the structure of the classification method used. This letter introduces an embeddedfeature-selection (EFS) algorithm that is tailored to operate with support vector machines (SVMs) to perform band selection and classification simultaneously. We have successfully applied this algorithm to determine a reasonable subset of bands with- out any user-defined stopping criteria on some sample AVIRIS images; a problem occurs in benchmarking recursive-feature-elimination methods for the SVMs. C1 Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. RP Archibald, R (reprint author), Oak Ridge Natl Lab, Div Math & Comp Sci, Oak Ridge, TN 37831 USA. EM ArchibaldRK@ORNL.gov; fanngi@ORNL.gov RI Archibald, Rick/I-6238-2016 OI Archibald, Rick/0000-0002-4538-9780 NR 12 TC 78 Z9 80 U1 1 U2 11 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 1545-598X J9 IEEE GEOSCI REMOTE S JI IEEE Geosci. Remote Sens. Lett. PD OCT PY 2007 VL 4 IS 4 BP 674 EP 677 DI 10.1109/LGRS.2007.905116 PG 4 WC Geochemistry & Geophysics; Engineering, Electrical & Electronic; Remote Sensing; Imaging Science & Photographic Technology SC Geochemistry & Geophysics; Engineering; Remote Sensing; Imaging Science & Photographic Technology GA 223RL UT WOS:000250389900036 ER PT J AU Chartrand, R AF Chartrand, Rick TI Exact reconstruction of sparse signals via nonconvex minimization SO IEEE SIGNAL PROCESSING LETTERS LA English DT Article DE compressed sensing; image reconstruction; nonconvex optimization; signal reconstruction ID RECOVERY AB Several authors have shown recently that it is possible to reconstruct exactly a sparse signal from fewer linear measurements than would be expected from traditional sampling theory. The methods used involve computing the signal of minimum l(1) norm among those having the given measurements. We show that by replacing the l(1) norm with the l(p) norm with p < 1, exact reconstruction is possible with substantially fewer measurements. We give a theorem in this direction, and many numerical examples, both in one complex dimension, and larger-scale examples in two real dimensions. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Chartrand, R (reprint author), Los Alamos Natl Lab, Div Theoret, MS B284, Los Alamos, NM 87545 USA. EM rickc@lanl.gov OI Chartrand, Rick/0000-0003-3256-2238 NR 10 TC 423 Z9 454 U1 6 U2 45 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 1070-9908 J9 IEEE SIGNAL PROC LET JI IEEE Signal Process. Lett. PD OCT PY 2007 VL 14 IS 10 BP 707 EP 710 DI 10.1109/LSP.2007.898300 PG 4 WC Engineering, Electrical & Electronic SC Engineering GA 217IP UT WOS:000249941900016 ER PT J AU Gwo, DH AF Gwo, Dz-Hung TI Geometric effects due to quadrature phase-sensitive detection: Artifact minimization and removal schemes for spectroscopic lineshape measurement SO IEEE TRANSACTIONS ON INSTRUMENTATION AND MEASUREMENT LA English DT Article DE Cauchy integral; Chebyshev polynomial; convolution; Dirac delta function; lock-in amplifier; magnetic resonance; modulation; phase-sensitive detection (PSD) ID LINE SHAPES AB An integral operator is defined to simulate the quadrature phase-sensitive detection. (PSD) of a time-independent characteristic function (e.g., spectroscopic lineshapes in magnetic resonance), with its dependent variablemodulated and scanned during the detection. This integral operation is equivalent to a convolution, with its kernel determined by the modulation function and the demodulation order. The convolution kernel results from the corresponding. PSD as applied to the Dirac delta function. The convolution form not only facilitates our understanding of the geometric effects due to the quadrature and the nonquadrature PSD but also indicates hardware schemes that are capable of accurately approximating or directly measuring the functional form that is being probed. These schemes involve no a priori assumptions such as those required in conventional post-PSD data manipulation to approximate true lineshapes. In the case of simisoidal modulation, the significance of simultaneous multichannel demodulations at all even or all odd harmonics within the frequency bandwidth is presented. Unconventional PSD schemes using square-wave and sawtooth-wave modulations are also discussed. As an aside for mathematics, the PSD convolution kernel corresponds to a transform between two compact-support functions; it generates an infinite set of basis-function sets, with the set of the Chebyshev polynomials being a special case. C1 Stanford Univ, NASA, Stanford Grav Probe B GPB Relat Mission, Stanford, CA 94305 USA. RP Gwo, DH (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM gwo1@llnl.gov NR 8 TC 0 Z9 0 U1 0 U2 4 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9456 J9 IEEE T INSTRUM MEAS JI IEEE Trans. Instrum. Meas. PD OCT PY 2007 VL 56 IS 5 BP 1725 EP 1733 DI 10.1109/TIM.2007.903577 PG 9 WC Engineering, Electrical & Electronic; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA 212TM UT WOS:000249619700029 ER PT J AU Olcott, PD Habte, F Foudray, AM Levin, CS AF Olcott, Peter D. Habte, Frezghie Foudray, Angela M. Levin, Craig S. TI Performance characterization of a miniature, high sensitivity gamma ray camera SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE camera technology; detectors; mammotomography; miniature radiation cameras; Monte Carlo simulation; NMIS; PET instrumentation; SPECT instrumentation; x-ray CT; instrumentation ID LYMPH-NODE BIOPSY; BREAST-CANCER; PROBE DETECTION; LYMPHOSCINTIGRAPHY; MELANOMA AB A compact, hand-held gamma camera with excellent intrinsic and extrinsic performance has been developed for the rapid identification and localization of sentinel lymph nodes during the surgical staging of cancer. The camera comprises a 5 x 5 cm(2) field of view NaI (TI) pixellated crystal array, a high sensitivity lead (2.0 cm thick) hexagonal parallel-hole collimator, a position sensitive photomultiplier tube (PSPMT), and a novel highly multiplexed electrical readout. The intrinsic energy resolution (12.1 +/- 2.0%) at 140 keV including edge crystals, extrinsic sensitivity (5 cps/mu Ci from 1-5 cm with a 24% energy window) and extrinsic spatial resolution (1.81 +/- 0.1 mm at 0.6 cm) facilitate rapid identification of a radioactive node. Using a node phantom we performed an ideal observer study to estimate the delectability of small spheres in the range of 3 mm to 8 nun with different exposure times. With a 5 seconds exposure the camera can detect a 3 nun diameter sphere at a depth of 3.6 cm containing 1 mu Ci of Tc-99m within a cold background, and a 4 mm diameter sphere containing 2 mu Ci at 2.6 cm depth within a warm background (> 10: 1 contrast) with a 5 second exposure duration. C1 Stanford Univ, Dept Radiol, Mol Imaging Program, Stanford, CA 94305 USA. Stanford Univ, Dept Radiol, Stanford, CA 94305 USA. Oak Ridge Natl Lab, Div Sci & Technol, Oak Ridge, TN 37831 USA. RP Olcott, PD (reprint author), Stanford Univ, Dept Radiol, Mol Imaging Program, Stanford, CA 94305 USA. EM cslevin@stanford.edu; cslevin@stanford.edu; cslevin@stanford.edu NR 12 TC 13 Z9 13 U1 1 U2 10 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD OCT PY 2007 VL 54 IS 5 BP 1492 EP 1497 DI 10.1109/TNS.2007.902367 PN 1 PG 6 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 222RC UT WOS:000250313600006 ER PT J AU Mengesha, W Bowden, NS Allen, M Lund, J AF Mengesha, W. Bowden, N. S. Allen, M. Lund, J. TI Pixellated NaI (T1) detector for light yield nonproportionality investigation SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE GEANT4; NaI(T1); nonproportionality; pixellated detector; scintillator ID INTRINSIC ENERGY RESOLUTION; NON-PROPORTIONALITY; NAI(TL) AB An 8 x 8 pixellated NaI(Tl) detector (1.7 cm x 1.7 cm x 1.0 cm) coupled to a multi anode PMT read out system was modeled to study the impact of light yield nonproportionality due to multiple photon scatterings and assess the contribution of delta rays in NaI(Tl) energy resolution. Geant4 simulation tool with modified nonproportional optical photons sampling routine was used in the study. A deconvolution technique was implemented to allow decoupling of the multiple photon scatterings contribution from the total energy resolution. Results from the simulation demonstrated that the effect of nonproportionality due to multiple photon scatterings is too small to be observed. However, the contribution of the delta rays was found to be a significant component of the evaluated NaI(Tl) energy resolution. C1 Sandia Natl Labs, Livermore, CA 94550 USA. RP Mengesha, W (reprint author), Phys Opt Corp, Torrance, CA 90501 USA. EM wondm62@yahoo.com OI Bowden, Nathaniel/0000-0002-6115-0956 NR 16 TC 1 Z9 1 U1 0 U2 1 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD OCT PY 2007 VL 54 IS 5 BP 1830 EP 1835 DI 10.1109/TNS.2007.905161 PN 2 PG 6 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 222RD UT WOS:000250313700019 ER PT J AU Chen, W Carini, G Keister, J Li, Z Rehak, P AF Chen, W. Carini, G. Keister, J. Li, Z. Rehak, P. TI Development of thin-junction detector SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE dead-layer; detectors; implementations; laser-annealing; silicon-dioxide; thin-junction ID EXCIMER-LASER; SILICON; IMPLANTATION AB Two methods to produce a thin-junction sensor are reported here. The first method consists of a regular boron implantation with energies of 2 keV (dose of 1 x 10(15)/cm(2)) and 5 keV (dose of 1 x 10(14)/cm(2)) into silicon directly, and 10 keV (1 x 10(14)/cm(2)), 45 keV (1 x 10(15)/cm(2)) into Si through a thin oxide layer (500 angstrom and 1000 angstrom respectively) to form a junction. An aluminum layer was coated in the same vacuum system after back-sputtering to remove oxide on top of the implanted silicon substrate. This method may have the following advantages: 1) it may improve the soft X-ray radiation hardness of the device because there is no oxide layer on the junction; 2) it substantially attenuates the incident visible light; and 3) it allows detection of low energy X-ray down to 300 eV. The second method consists of a low energy of 2 keV and dose of 1 x 10(15)/cm(2) boron implantation into the bare silicon followed by laser annealing that activates boron with minimal diffusion, to retain the ultra thin-junction. The laser annealing method was compared with control wafers. Two of the control wafers were implanted by boron with the same energy and dose as that of the laser annealed wafer. One of them was annealed using high temperature of 1000 degrees C and time of 30 minutes thermal annealing. The other was annealed using our regular annealing temperature of 700 degrees C and with longer annealing time of 17 hours. The remaining control wafer was implanted by boron with higher energy of 45 keV and dose of 1 x 10(15)/cm(2) (our standard boron implantation energy and dose) and annealed using regular (700 degrees C, 30 min) thermal annealing. C1 Brookhaven Natl Lab, Upton, NY 11973 USA. RP Chen, W (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM weichen@bnl.gov; carini@bnl.gov; jkeister@bnl.gov; zhengl@bnl.gov; rehak@bnl.gov OI CHEN, WEN-CHANG/0000-0003-3170-7220 NR 9 TC 3 Z9 3 U1 0 U2 1 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD OCT PY 2007 VL 54 IS 5 BP 1842 EP 1848 DI 10.1109/TNS.2007.905173 PN 2 PG 7 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 222RD UT WOS:000250313700021 ER PT J AU Pakin, S AF Pakin, Scott TI The design and implementation of a domain-specific language for network performance testing SO IEEE TRANSACTIONS ON PARALLEL AND DISTRIBUTED SYSTEMS LA English DT Article DE interprocessor communications; measurement techniques; specialized application languages ID MODEL AB CONCEPTUAL is a toolset designed specifically to help measure the performance of high-speed interconnection networks such as those used in workstation clusters and parallel computers. It centers around a high-level domain-specific language, which makes it easy for a programmer to express, measure, and report the performance of complex communication patterns. The primary challenge in implementing a compiler for such a language is that the generated code must be extremely efficient so as not to misattribute overhead costs to the messaging library. At the same time, the language itself must not sacrifice expressiveness for compiler efficiency, or there would be little point in using a high-level language for performance testing. This paper describes the CONCEPTUAL language and the CONCEPTUAL compiler's novel code-generation framework. The language provides primitives for a wide variety of idioms needed for performance testing and emphasizes a readable syntax. The core code-generation technique, based on unrolling CONCEPTUAL programs into sequences of communication events, is simple yet enables the efficient implementation of a variety of high-level constructs. The paper further explains how CONCEPTUAL implements time-bounded loops - even those that comprise blocking communication - in the absence of a time-out mechanism as this is a somewhat unique language/implementation feature. C1 Los Alamos Natl Lab, MS B287, Los Alamos, NM 87545 USA. RP Pakin, S (reprint author), Los Alamos Natl Lab, MS B287, POB 1663, Los Alamos, NM 87545 USA. EM pakin@lanl.gov OI Pakin, Scott/0000-0002-5220-1985 NR 32 TC 9 Z9 9 U1 0 U2 1 PU IEEE COMPUTER SOC PI LOS ALAMITOS PA 10662 LOS VAQUEROS CIRCLE, PO BOX 3014, LOS ALAMITOS, CA 90720-1314 USA SN 1045-9219 J9 IEEE T PARALL DISTR JI IEEE Trans. Parallel Distrib. Syst. PD OCT PY 2007 VL 18 IS 10 BP 1436 EP 1449 DI 10.1109/TPDS.2007.1065 PG 14 WC Computer Science, Theory & Methods; Engineering, Electrical & Electronic SC Computer Science; Engineering GA 202ZL UT WOS:000248943800007 ER PT J AU Madziwa-Nussinov, TG Amush, D Chen, FF AF Madziwa-Nussinov, Tsitsi G. Amush, Donald Chen, Francis F. TI Ion-shading effects during metal etch in plasma processing SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE electron-shading damage; ion shading; ion trajectories; metal etch; plasma processing ID CHARGE DAMAGE; ELECTRON AB Self-consistent computations of electric fields (E-fields) and ion orbits inside trenches were done in order to verify Hashimoto's hypothesis of damage that is induced during plasma processing. In his well-accepted theory, Hashimoto proposed a mechanism for electron-shading damage, whereby the photoresist at the tops of trenches and vias collects a negative charge from the thermal electrons, creating an E-field, which prevents electrons from reaching the trench bottom, where collector is located. The sheath E-field accelerates the ions and drives them straight into the trench where they impinge on the collector, and charge it positive if it is isolated. In the computations presented in this paper, it is shown that ion orbits depend only on the E-fields at the entrance and are sensitive to changes in the shape of the photoresist layer there. In addition to the electron-shading mechanism, there is an "ion-shading" effect that protects part of the trench walls, and the number of ions that strike the wall is too small to cause any deformation of the walls. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Calif Los Angeles, Dept Elect Engn, Los Angeles, CA 90095 USA. RP Madziwa-Nussinov, TG (reprint author), Los Alamos Natl Lab, Los Alamos, NM 87545 USA. EM tsitsi@lanl.gov; ffchen@ee.ucla.edu NR 14 TC 9 Z9 9 U1 1 U2 2 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0093-3813 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD OCT PY 2007 VL 35 IS 5 BP 1388 EP 1396 DI 10.1109/TPS.2007.905203 PN 1 PG 9 WC Physics, Fluids & Plasmas SC Physics GA 232BN UT WOS:000250993200024 ER PT J AU Carter, MD Hoffman, D Shannon, S Ryan, PM Buchberger, D AF Carter, Mark D. Hoffman, Dan Shannon, Steve Ryan, Philip M. Buchberger, D. TI Global modeling of magnetized capacitive discharges SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE capacitance; electromagnetic analysis; electromagnetic; coupling; electromagnetic fields; electromagnetic heating; electromagnetic measurements; electromagnetic propagation; in absorbing media; electromagnetic propagation in anisotropic media; electromagnetic propagation in dispersive media; electromagnetic propagation in nonhomogeneous media; electromagnetic propagation in nonlinear media; electromagnetic propagation in plasma media; electromagnetic surface waves; magnetic confinement; magnetic field effects; magnetic fields; perpendicular; magnetic anisotropy; plasma applications; plasma confinement; plasma control; plasma devices; plasma generation; plasma heating; plasma materials-processing applications; plasma measurements; plasma properties; plasmas; plasma sheaths; plasma waves AB Capacitive reactors for semiconductor processing must simultaneously balance many physical phenomena with engineering constraints to achieve the desired processing properties. Important phenomena include electromagnetic RF propagation, gas ionization, plasma heating, plasma transport, and nonlinear sheath effects. Constraints are driven by process uniformity, radical production, thermal control, and reactor-component lifetime. These phenomena and constraints are often modeled in isolation; however, in a real system, they can interact in ways that are not easily foreseen. It is highly desirable to have global models that can provide relatively quick feedback for the proposed modifications to these systems. While an approach based on fundamental physics models is highly desirable whenever possible, the system can quickly become too complicated for quick design evaluations. In this paper, we explore the interaction between several processes by combining fundamental physics models when reasonable, with simplified, heuristic, or even empirical models for processes that are difficult to model from first principles. The goal is to understand the interaction between these processes in a global system without becoming overly encumbered by details in the individual components of the model. We study the effects of static magnetic field on plasma transport and electromagnetic effects arising at high RF frequency. We also change the RF-coupled power and ionization efficiency in a simplified 2-D model geometry to contrast the various effects. We find that discharges with very high frequency and high plasma density can exhibit localized nulls in the RF fields caused by electromagnetic-propagation effects in the sheath region. We find that relatively low static magnetic fields can modify the radial-plasma density profiles. Good agreement is found between the radial-plasma profiles given by the model and those measured in an experiment where the currents in two concentric coils near the plasma are the only variables. C1 Ad Astra Rocket Co, Houston, TX 77058 USA. Appl Mat Inc, Sunnyvale, CA 94086 USA. Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Carter, MD (reprint author), Ad Astra Rocket Co, Houston, TX 77058 USA. EM Mark.Carter@adastrarocket.com RI Shannon, Steven/O-3420-2014 OI Shannon, Steven/0000-0001-8317-6949 NR 5 TC 1 Z9 1 U1 1 U2 6 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0093-3813 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD OCT PY 2007 VL 35 IS 5 BP 1413 EP 1419 DI 10.1109/TPS.2007.906124 PN 1 PG 7 WC Physics, Fluids & Plasmas SC Physics GA 232BN UT WOS:000250993200026 ER PT J AU Al-Hamarneh, IF Pedrow, PD Goheen, SC Hartenstine, MJ AF Al-Hamarneh, Ibrahim F. Pedrow, Patrick D. Goheen, Steven C. Hartenstine, Michael J. TI Impedance spectroscopy study of composite thin films of hydrated polyethylene glycol SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE adhesion; dip coating; hydration; impedance spectroscopy (IS); plasma polymerization; polyethylene glycol (PEG) ID STAINLESS-STEEL SURFACES; PLASMA POLYMERIZATION TECHNIQUE; FOOD CONTACTING SURFACES; POLY(ETHYLENE GLYCOL); PROTEIN ADSORPTION; ELECTROCHEMICAL IMPEDANCE; BACTERIAL ADHESION; DIMETHYL-ETHER; ETHYLENE-OXIDE; GAS-PHASE AB A polyethylene glycol (PEG) polymer was synthesized using a dip-coating procedure on 316L stainless-steel (SS) substrate precoated with a primer that consisted of radiofrequency inductively coupled plasma-polymerized di (ethylene glycol) vinyl ether (EO2V). The primer and PEG composite film was studied with profilometer, optical microscope, scanning electron microscope (SEM), and a tape test to evaluate thickness, coverage, morphology, and adhesion, respectively. Response of the PEG composite film to an applied ac voltage was studied as a function of hydration state using impedance spectroscopy (IS). A resistor/capacitor network was used to interpret the impedance spectra. Electrical capacitance of the PEG film decreased with an exponentially decaying term as dehydration progressed. PEG-film capacitance decay was consistent with a model describing water molecules diffusing through the PEG film. C1 Al Balqa Appl Univ, Dept Basic Sci, Prince Abdullah Bin Ghazi Fac Sci & Informat Tech, Salt 19117, Jordan. Washington State Univ, Sch Elect Engn & Comp Sci, Pullman, WA 99164 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. Madigan Army Med Ctr, Tacoma, WA 98431 USA. RP Al-Hamarneh, IF (reprint author), Al Balqa Appl Univ, Dept Basic Sci, Prince Abdullah Bin Ghazi Fac Sci & Informat Tech, Salt 19117, Jordan. EM hamamehibrahim@yahoo.com; pedrow@eecs.wsu.edu; steve.goheen@pnl.gov; Mike.Hartenstine@us.army.mil NR 52 TC 6 Z9 6 U1 0 U2 12 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855 USA SN 0093-3813 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD OCT PY 2007 VL 35 IS 5 BP 1518 EP 1526 DI 10.1109/TPS.2007.906136 PN 2 PG 9 WC Physics, Fluids & Plasmas SC Physics GA 232BO UT WOS:000250993300013 ER PT J AU Nielsen, CW Goodrich, MA Ricks, RW AF Nielsen, Curtis W. Goodrich, Michael A. Ricks, Robert W. TI Ecological interfaces for improving mobile robot teleoperation SO IEEE TRANSACTIONS ON ROBOTICS LA English DT Article; Proceedings Paper CT 1st International Conference on Human-Robot Interaction CY MAR 02-04, 2006 CL Salt Lake City, UT SP IEEE Robot & Automat Soc DE 3-D interface; augmented-virtuality; human-robot interaction; information presentation; teleoperation; USAR-Sim; user study ID VIRTUAL-REALITY; VEHICLE TELEOPERATION; COLLABORATIVE CONTROL; AUGMENTED REALITY; URBAN SEARCH; ENVIRONMENTS; DISPLAYS; ISSUES; WORLD; FIELD AB Navigation is an essential element of many remote robot operations including search and rescue, reconnaissance, and space exploration. Previous reports on using remote mobile robots suggest that navigation is difficult due to poor situation awareness. It has been recommended by experts in human-robot interaction that interfaces between humans and robots provide more spatial information and better situational context in order to improve an operator's situation. awareness. This paper presents an ecological interface paradigm that combines video, map, and robotpose information into a 3-D mixed-reality display. The ecological paradigm is validated in planar worlds by comparing it against the standard interface paradigm in a series of simulated and realworld user studies. Based on the experiment results, observations in the literature, and working hypotheses, we present a series of principles for presenting information to an operator of a remote robot. C1 Idaho Natl Lab, Idaho Falls, ID 83415 USA. Brigham Young Univ, Provo, UT 84602 USA. US Dept Def, Ft George G Meade, MD 20755 USA. RP Nielsen, CW (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM curtis.nielsen@ini.gov; mike@cs.byu.edu; atomicbob@gmail.com OI Goodrich, Michael/0000-0002-2489-5705 NR 89 TC 65 Z9 66 U1 1 U2 6 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1552-3098 EI 1941-0468 J9 IEEE T ROBOT JI IEEE Trans. Robot. PD OCT PY 2007 VL 23 IS 5 BP 927 EP 941 DI 10.1109/TRO.2007.907479 PG 15 WC Robotics SC Robotics GA 220SP UT WOS:000250177900010 ER PT J AU Dickey, FM Doerry, AW Romero, LA AF Dickey, F. M. Doerry, A. W. Romero, L. A. TI Degrading effects of the lower atmosphere on long-range airborne synthetic aperture radar imaging SO IET RADAR SONAR AND NAVIGATION LA English DT Article ID PHASE ERRORS; SAR IMAGES AB The imaging performance of airborne synthetic aperture radar (SAR) systems has advanced to the point that the effects of clear-air refractive index perturbations cannot be ignored. Operating at long ranges, and low grazing angles, in particular, require propagation geo-metries through regions of the lower atmosphere that may cause noticeable and, sometimes, severe degradation of the images. The range of image anomalies that can be attributed to the atmospheric boundary layer (ABL) is illustrated, the pertinent characteristics of the ABL is discussed, a firstorder SAR imaging model that incorporates the refractive index perturbations associated with the ABL is developed and the magnitude of the image anomalies resulting from measured refractive index perturbations is estimated. The model predictions correlate well with the observed image anomalies and measured properties of the ABL. On the basis of theory and measurements, it is expected that the degrading effect of clear-air atmospheric refractive index perturbations is much more common than previously thought and may be a limiting factor for long-range SAR imaging performance. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Dickey, FM (reprint author), Sandia Natl Labs, POB 5800,MS 0311, Albuquerque, NM 87185 USA. EM awdoerr@sandia.gov NR 20 TC 8 Z9 9 U1 1 U2 6 PU INST ENGINEERING TECHNOLOGY-IET PI HERTFORD PA MICHAEL FARADAY HOUSE SIX HILLS WAY STEVENAGE, HERTFORD SG1 2AY, ENGLAND SN 1751-8784 J9 IET RADAR SONAR NAV JI IET Radar Sonar Navig. PD OCT PY 2007 VL 1 IS 5 BP 329 EP 339 DI 10.1049/iet-rsn:20060134 PG 11 WC Engineering, Electrical & Electronic; Telecommunications SC Engineering; Telecommunications GA 212CE UT WOS:000249570400001 ER PT J AU Prasad, L AF Prasad, Lakshman TI Rectification of the chordal axis transform skeleton and criteria for shape decomposition SO IMAGE AND VISION COMPUTING LA English DT Article; Proceedings Paper CT 12th International Conference on Discrete Geometry for Computer Imagery CY APR 13-15, 2005 CL Poitiers, FRANCE SP Int Assoc Pattern Recognit, Univ Poitiers, Signal, Image, Commun Lab, CNRS DE shape; delaunay triangulation; chordal axis; medial axis; skeleton; shape decomposition; co-circularity; shape graph; grouping ID SILHOUETTES AB Skeletonization and parts-based decomposition are important to the analysis, characterization, and recognition of shapes. In earlier works we proposed the chordal axis transform (CAT), based on constrained Delatmay triangulations (CDT), for analyzing discrete shapes. In this paper, we refine the CAT skeleton to have smoother branches and stable branch points of any degree based on approximate co-circularity of edge-adjacent triangles. We also introduce new criteria for obtaining visually meaningful shape decompositions using approximate co-circularity and a discrete axial derivative for shapes based on their CDTs. (c) 2006 Elsevier B.V. All rights reserved. C1 Los Alamos Natl Lab, Int Space & Response Div, Space & Remote Sensing Sci Grp ISR 2, Los Alamos, NM 87545 USA. RP Prasad, L (reprint author), Los Alamos Natl Lab, Int Space & Response Div, Space & Remote Sensing Sci Grp ISR 2, Los Alamos, NM 87545 USA. EM prasad@lanl.gov OI Prasad, Lakshman/0000-0003-3967-3643 NR 27 TC 7 Z9 7 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0262-8856 J9 IMAGE VISION COMPUT JI Image Vis. Comput. PD OCT 1 PY 2007 VL 25 IS 10 BP 1557 EP 1571 DI 10.1016/j.imavis.2006.06.025 PG 15 WC Computer Science, Artificial Intelligence; Computer Science, Software Engineering; Computer Science, Theory & Methods; Engineering, Electrical & Electronic; Optics SC Computer Science; Engineering; Optics GA 204ME UT WOS:000249047200005 ER PT J AU Farhoomand, J Sisson, D Beeman, J AF Farhoomand, Jam Sisson, David Beeman, Jeff TI A low noise 2 x 16 Ge : Sb focal-plane array: Paving the way for large format FPAs for far IR astronomy SO INFRARED PHYSICS & TECHNOLOGY LA English DT Article DE Germanium; far IR; submillimeter; photoconductor; FPA; CTIA ID INFRARED OBSERVATORY SAFIR; SIRTF; PERFORMANCE; MULTIPLEXER; DETECTORS; MISSION; DESIGN AB Future astronomical instruments call for large format and high sensitivity far infrared focal-plane arrays to meet their science objectives. Arrays as large as 128 x 128 with sensitivities equal to or better than 10(-18) W/root Hz are set as targets for the far IR instruments to be developed within the next 10 years. These seemingly modest goals present a not-so-modest quantum leap for far IR detector technology whose progress is hampered by a number of complexities; chief among them the development of low noise readouts operating at deep cryogenic temperatures and a viable hybridization scheme suitable for far IR detectors. In an effort to incrementally develop large-format photoconductor arrays, we have fabricated a 2 x 16 Ge:Sb array using the SBRC190 readout-a cryogenic 1 x 32 CTIA readout multiplexer initially developed for SOFIA's AIRES instrument. In this paper we report the results of the extensive parametric tests performed on this array showing an impressive noise performance of 2.2 x 10(-18) W/root Hz and a DQE of 0.41 despite some design limitations. With such an encouraging performance, this prototype array will serve as a platform for our future developmental effort. (c) 2007 Elsevier B.V. All rights reserved. C1 TechnoSci Corp, Palo Alto, CA 94306 USA. NASA, Ames Res Ctr, Moffett Field, CA 94035 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. RP Farhoomand, J (reprint author), TechnoSci Corp, POB 60658, Palo Alto, CA 94306 USA. EM jfarhoomand@mail.arc.nasa.gov NR 24 TC 3 Z9 4 U1 0 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1350-4495 J9 INFRARED PHYS TECHN JI Infrared Phys. Technol. PD OCT PY 2007 VL 51 IS 2 BP 102 EP 112 DI 10.1016/j.infrared.2007.02.001 PG 11 WC Instruments & Instrumentation; Optics; Physics, Applied SC Instruments & Instrumentation; Optics; Physics GA 227KH UT WOS:000250655100004 ER PT J AU Hornstein, BJ Dattelbaum, DM Schoonover, JR Meyer, TJ AF Hornstein, Brooks J. Dattelbaum, Dana M. Schoonover, Jon R. Meyer, Thomas J. TI Reactivity of an adsorbed Ru(VI)-oxo complex: Oxidation of benzyl alcohol SO INORGANIC CHEMISTRY LA English DT Article ID COUPLED ELECTRON-TRANSFER; REDOX-TYPE PHOTOCHROMISM; DIOXO COMPLEX; TRANS-DIOXORUTHENIUM(VI) COMPLEX; SPECTRAL PROPERTIES; CHARGE SEPARATION; AQUEOUS-SOLUTION; OXO COMPLEXES; FILMS; LIGHT AB The phosphonated ruthenium complex, [RU(tPY-PO3H2)(OH2)(3)](2+) (1) (tPY-PO3H2 = 4 '-phosphonato-2,2 ':6 ',2 '' terpyridine), was synthesized and attached to glass vertical bar ITO or glass vertical bar ITO vertical bar TiO2 electrodes. After attachment to the metal oxide surface through the phosphonate linkage, 1 can be oxidized (either chemically or electrochemically) to the reactive Ru(VI)-dioxo complex, glass vertical bar ITO vertical bar[((HO)(2)OP)tpy) Ru-VI(O)(2)(OH2)](2+) which remains attached to the surface. The attached Ru(VI) complex reacts with benzyl alcohol through mechanisms similar to those proposed for the solution analog. More specifically, Ru(VI) is reduced in a stepwise fashion to Ru(IV) and then finally to Ru(II). The reduction of Ru(VI) is accompanied by a rate-limiting insertion to the C-H bond of benzyl alcohol, followed by solvolysis of the aldehyde hydrate. In addition, the surface-bound Ru(VI) acts as an electrooxidation catalyst which carries out similar to 130 (2e(-)) turnovers before deactivation. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Meyer, TJ (reprint author), Univ N Carolina, Dept Chem, CB 3290, Chapel Hill, NC 27599 USA. EM tjmeyer@unc.edu NR 49 TC 18 Z9 18 U1 1 U2 14 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0020-1669 EI 1520-510X J9 INORG CHEM JI Inorg. Chem. PD OCT 1 PY 2007 VL 46 IS 20 BP 8139 EP 8145 DI 10.1021/ic0700506 PG 7 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 213WT UT WOS:000249698700013 PM 17718559 ER PT J AU Quesada, M Prins, F Roubeau, O Gamez, P Teat, SJ van Koningsbruggen, PJ Haasnoot, JG Reedijk, J AF Quesada, Manuel Prins, Ferry Roubeau, Olivier Gamez, Patrick Teat, Simon J. van Koningsbruggen, Petra J. Haasnoot, Jaap G. Reedijk, Jan TI A 2D [Fe-II-bistetrazole] coordination polymer exhibiting spin-crossover properties SO INORGANICA CHIMICA ACTA LA English DT Article; Proceedings Paper CT 1st European Conference on Molecular Magnetism CY OCT 10-15, 2006 CL Tomar, PORTUGAL DE Iron(II); spin-transition; azole ligands; metal-organic framework; LIESST; relaxation ID X-RAY-STRUCTURE; TRANSITION MOLECULAR MATERIALS; THERMAL HYSTERESIS; PHYSICAL-PROPERTIES; ELASTIC INTERACTION; IRON(II) COMPLEXES; CRYSTAL-STRUCTURE; BUILDING-BLOCKS; MEMORY DEVICES; COMPOUND AB The reaction of 1,3-bis(tetrazol-1-yl)-2-propanol (btzpol) with Fe(BF4)(2) center dot 6H(2)O in acetonitrile yields the remarkable 2D coordination polymer [Fe-II(btzpol)(1.8)(btzpol-OBF3)(1.2)](BF4)(0.8) center dot (H2O)(0.8)(CH3CN) (1). This compound has been structurally characterized using an X-ray single-crystal synchrotron radiation source. The iron(11) centers are bridged by means of double btzpol bridges along the c direction, and by single btzpol bridges along the b direction. The reaction of part of the ligand with the counterion has forced the compound to crystallize in this extended two dimensional structure. The compound shows spin-transition properties, both induced by temperature and light, with T-1/2 = 112 K and T(LIESST) = 46 K, respectively. The relaxation of the metastable high-spin state created by irradiation is exponential, following an Arrhenius type behavior at high temperature, and dominated by a temperature independent tunneling process at lower temperatures. (c) 2006 Elsevier B.V. All rights reserved. C1 Leiden Univ, Gorlaeus Labs, Leiden Inst Chem, NL-2300 RA Leiden, Netherlands. CNRS, Ctr Rech Paul Pascal, F-33600 Pessac, France. Alcatel Alsthom Rech, Berkeley Lab, Berkeley, CA 94720 USA. Univ Groningen, Stratingh Ins Chem & Chem Engn, NL-9747 AG Groningen, Netherlands. RP Reedijk, J (reprint author), Leiden Univ, Gorlaeus Labs, Leiden Inst Chem, PO Box 9502, NL-2300 RA Leiden, Netherlands. EM reedijk@chem.leidenuniv.nl RI Roubeau, Olivier/A-6839-2010; Reedijk, Jan/F-1992-2010; Gamez, Patrick/B-3610-2012; Prins, Ferry/G-7128-2012 OI Roubeau, Olivier/0000-0003-2095-5843; Reedijk, Jan/0000-0002-6739-8514; Gamez, Patrick/0000-0003-2602-9525; NR 73 TC 20 Z9 20 U1 1 U2 8 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0020-1693 J9 INORG CHIM ACTA JI Inorg. Chim. Acta PD OCT 1 PY 2007 VL 360 IS 13 BP 3787 EP 3796 DI 10.1016/j.ica.2007.12.010 PG 10 WC Chemistry, Inorganic & Nuclear SC Chemistry GA 222JC UT WOS:000250291300002 ER PT J AU Taatjes, CA AF Taatjes, Craig A. TI How does the molecular velocity distribution affect kinetics measurements by time-resolved mass spectrometry? SO INTERNATIONAL JOURNAL OF CHEMICAL KINETICS LA English DT Article ID LAVAL NOZZLE APPARATUS; RATE COEFFICIENTS; FLASH-PHOTOLYSIS; LASER PHOTOLYSIS; NITROGEN-DIOXIDE; RADICALS; GASES; PRODUCT; O-2; NO AB The equations governing the time fidelity in molecular-beam mass sampling are derived for supersonic-beam sampling, where the velocity distribution is well-fitted by a displaced Maxwell-Boltzmann distribution. Supersonic sampling is shown to offer much higher fidelity than the corresponding effusive-beam sampling, and rules of thumb are derived for the validity of kinetic measurements for supersonic-beam sampling. (C) 2007 Wiley Periodicals, Inc. C1 Sandia Natl Labs, Combust Res Facil, Livermore, CA 94551 USA. RP Taatjes, CA (reprint author), Sandia Natl Labs, Combust Res Facil, Mail Stop 9055, Livermore, CA 94551 USA. EM cataatj@sandia.gov NR 24 TC 12 Z9 12 U1 3 U2 18 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0538-8066 J9 INT J CHEM KINET JI Int. J. Chem. Kinet. PD OCT PY 2007 VL 39 IS 10 BP 565 EP 570 DI 10.1002/kin.20262 PG 6 WC Chemistry, Physical SC Chemistry GA 210KY UT WOS:000249456300003 ER PT J AU Bui, B Tsay, TJ Lin, MC Melius, CF AF Bui, Binh Tsay, Ti Jo Lin, M. C. Melius, C. F. TI Theoretical and experimental studies of the diketene system: Product branching decomposition rate constants and energetics of isomers SO INTERNATIONAL JOURNAL OF CHEMICAL KINETICS LA English DT Article ID THERMAL-DECOMPOSITION; GAS-PHASE; KETENE; MECHANISM; KINETICS; METHYLKETENE; 1,3-CYCLOBUTANEDIONE; THERMOCHEMISTRY; DIMETHYLKETENE; SUBSTITUTION AB The kinetics and mechanism for the thermal decomposition of diketene have been studied in the temperature range 510-603 K using highly diluted mixtures with Ar as a diluent. The concentrations of diketene, ketene, and CO2 were measured by FTIR spectrometry using calibrated standard mixtures. Two reaction channels were identified. The rate constants for the formation of ketene (k(1)) and CO2 (k(2)) have been determined and compared with the values predicted by the Rice-Ramsperger-Kassel-Marcus (RRKM) theory for the branching reaction. The first-order rate constants, k(1) (s(-1)) = 10(15.74 +/- 0.72) exp(-49.29 (kcal mol(-1)) (+/- 1.84)/RT) and k(2) (s(-1)) = 10(14.65 +/- 0.87) exp(-49.01 (kcal mol(-1)) (+/- 2.22)/RT); the bulk of experimental data agree well with predicted results. The heats of formation of ketene, diketene, cyclobuta-1,3-dione, and cyclobuta-1,2-dione at 298 K computed from the G2M scheme are -11.1, -45.3, -43.6, and -40.3 kcal mol(-1), respectively. (C) 2007 Wiley Periodicals, Inc. C1 Univ Georgia, Athens, GA 30602 USA. Emory Univ, Atlanta, GA 30322 USA. Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Melius, CF (reprint author), Natl Chiao Tung Univ, Hsinchu, Taiwan. EM chemmcl@emory.edu NR 39 TC 4 Z9 4 U1 0 U2 7 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0538-8066 EI 1097-4601 J9 INT J CHEM KINET JI Int. J. Chem. Kinet. PD OCT PY 2007 VL 39 IS 10 BP 580 EP 590 DI 10.1002/kin.20263 PG 11 WC Chemistry, Physical SC Chemistry GA 210KY UT WOS:000249456300005 ER PT J AU Chaudhri, A Parang, M Nelson, BE AF Chaudhri, Anui Parang, Masood Nelson, B. E. TI Computer simulation and experimental verification of welding in thin steel sheet containment SO INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER LA English DT Article AB Thermal analysis of welding a thin steel sheet containment can around the modular coil winding pack of a Quasi-Poloidal Stellarator was performed. Welding causes distortions and thermal stresses to develop in the coil. Damage to the conductor coil nearest to the welding region would cause distortion of magnetic field produced by it, which would disrupt working of the stellarator. Computer weld models were developed and temperature response normalized with respect to ambient temperature was plotted at predefined locations on the cross-section of the coil. This study predicted that the maximum temperatures reached were less than the insulation melt temperatures. Independent studies using data from this study predicted that there is negligible distortion and stresses in the coil after welding. Experiments were also performed which confirmed no visual damage to conductor coil nearest to the weld zone and served to validate the computational models. (C) 2006 Elsevier Ltd. All rights reserved. C1 Univ Tennessee, Dept Mech Aerosp & Biomed Engn, Knoxville, TN 37919 USA. Oak Ridge Natl Lab, Div Fus Energy, Oak Ridge, TN 37831 USA. RP Parang, M (reprint author), Univ Tennessee, Dept Mech Aerosp & Biomed Engn, 101 Perkins Hall, Knoxville, TN 37919 USA. EM mparang@utk.edu NR 7 TC 3 Z9 4 U1 0 U2 2 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0017-9310 J9 INT J HEAT MASS TRAN JI Int. J. Heat Mass Transf. PD OCT PY 2007 VL 50 IS 21-22 BP 4439 EP 4445 DI 10.1016/j.ijheatmasstransfer.2006.02.052 PG 7 WC Thermodynamics; Engineering, Mechanical; Mechanics SC Thermodynamics; Engineering; Mechanics GA 206DD UT WOS:000249163200029 ER PT J AU Lee, JZ Klaus, DM Maness, PC Spear, JR AF Lee, Jackson Z. Klaus, David M. Maness, Pin-Ching Spear, John R. TI The effect of butyrate concentration on hydrogen production via photofermentation for use in a Martian habitat resource recovery process SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE photofermentation; biophotolysis; advanced life support; spaceflight; butyrate utilization; rhodobacter sphaeroides; purple non-sulfur bacteria ID RHODOPSEUDOMONAS-CAPSULATA; PHOTOSYNTHETIC BACTERIUM; PHOTOPRODUCTION; ACETATE AB Biological hydrogen production from waste biomass has both terrestrial and Martian advanced life support applications. Several forms of this process exist, but one process, indirect biophotolysis, is suitable for a potential Mars mission. This process is two-stage, combining a dark fermentation of starch or sugars with photofermentation of the remaining waste organic acids to produce hydrogen gas. Since butyrate is expected as one of the major inputs into photofermentation from the first stage, Rhodobacter sphaeroides SCJ, a photoheterotrophic purple non-sulfur photosynthetic bacterium was examined for its potential in hydrogen production at 10-100 mM butyrate concentrations. As butyrate levels increased, hydrogen production increased up to 25 mM butyrate, and then decreased and ceased by 100 mM. Additionally, lag phase increased with butyrate concentration, possibly indicating substrate inhibition. Maximal substrate conversion efficiency was 8.0%; maximal light efficiency was 0.89%; and maximal hydrogen production rate was 7.7 mu mol/(mg cdw h) (173 mu L/(mg cdw h)). These are generally lower than values reported in the literature. (C) 2007 International Association for Hydrogen Energy. Published by Elsevier Ltd. All rights reserved. C1 Univ Colorado, Boulder, CO 80309 USA. Natl Renewable Energy Lab, Golden, CO 80401 USA. Colorado Sch Mines, Div Environm Sci & Engn, Golden, CO 80401 USA. RP Spear, JR (reprint author), Univ Colorado, 429 UCB, Boulder, CO 80309 USA. EM jspear@mines.edu OI Spear, John/0000-0002-4664-7438 NR 22 TC 37 Z9 41 U1 0 U2 3 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-3199 J9 INT J HYDROGEN ENERG JI Int. J. Hydrog. Energy PD OCT PY 2007 VL 32 IS 15 SI SI BP 3301 EP 3307 DI 10.1016/j.ijhydene.2007.05.029 PG 7 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 230UF UT WOS:000250900700028 ER PT J AU Ahluwalia, RK Hua, TQ Peng, JK AF Ahluwalia, R. K. Hua, T. Q. Peng, J. -K. TI Fuel cycle efficiencies of different automotive on-board hydrogen storage options SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE hydrogen storage; fuel cycle efficiency; chemical hydrogen storage AB In comparing different options for producing, distributing and storing hydrogen, it is important to use a consistent set of definitions and to clearly identify assumptions. It is equally important to consider the complete fuel cycle and account for losses, inefficiencies and energy consumption in upstream processes that recover and convert energy feedstock to process fuel. The purpose of this paper is to propose a rational definition of well-to-tank efficiency in terms of the specific energies for hydrogen production, distribution and storage steps. The paper also shows how the specific energies can be consistently calculated by combining information from different processes that comprise the production, distribution and storage steps. (c) 2007 International Association for Hydrogen Energy. Published by Elsevier Ltd. All rights reserved. C1 Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. RP Ahluwalia, RK (reprint author), Argonne Natl Lab, Nucl Engn Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM walia@td.anl.gov NR 9 TC 23 Z9 23 U1 3 U2 11 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0360-3199 J9 INT J HYDROGEN ENERG JI Int. J. Hydrog. Energy PD OCT PY 2007 VL 32 IS 15 SI SI BP 3592 EP 3602 DI 10.1016/j.ijhydene.2007.03.021 PG 11 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 230UF UT WOS:000250900700064 ER PT J AU Sun, X Khaleel, MA AF Sun, Xin Khaleel, Mohammad A. TI Dynamic strength evaluations for self-piercing rivets and resistance spot welds joining similar and dissimilar metals SO INTERNATIONAL JOURNAL OF IMPACT ENGINEERING LA English DT Article DE dynamic test; dynamic joint strength; self-piercing rivet; resistance spot weld; energy absorption ID STATIC LOADING CONDITIONS; FAILURE LOADS; SHEAR; BEHAVIOR AB This paper summarizes the dynamic joint strength evaluation procedures and the measured dynamic strength data for 13 joint populations of self-piercing rivets (SPR) and resistance spot welds (RSWs) joining similar and dissimilar metals. A state-of-the-art review of the current practice for conducting dynamic tensile/compressive strength tests in different strain rate regimes is first presented, and the generic issues associated with dynamic strength test are addressed. Then, the joint strength testing procedures and fixture designs used in the current study are described, and the typical load versus displacement curves under different loading configurations are presented. Uniqueness of the current data compared with data in the open literature is discussed. The majority of experimental results indicate that joint strength increases with increasing loading rate. However, the strength increase from 4.47 m/s (10 mph) to 8.94 m/s (20 mph) is not as significant as the strength increase from static to 4.47 m/s. It is also found that with increasing loading velocity, displacement to failure decreases for all the joint samples. Therefore, 'brittleness' of the joint sample increases with impact velocity. Detailed static and dynamic strength data and the associated energy absorption levels for all the samples in the 13 joint populations are also included. (c) 2006 Elsevier Ltd. All rights reserved. C1 Pacific NW Natl Lab, Richland, WA 99352 USA. RP Sun, X (reprint author), Pacific NW Natl Lab, K6-08, Richland, WA 99352 USA. EM xin.sun@pnl.gov OI khaleel, mohammad/0000-0001-7048-0749 NR 23 TC 34 Z9 35 U1 1 U2 13 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0734-743X J9 INT J IMPACT ENG JI Int. J. Impact Eng. PD OCT PY 2007 VL 34 IS 10 BP 1668 EP 1682 DI 10.1016/j.ijimpeng.2006.09.092 PG 15 WC Engineering, Mechanical; Mechanics SC Engineering; Mechanics GA 185ZX UT WOS:000247750000008 ER PT J AU Dahl, DA McJunkin, TR Scott, JR AF Dahl, David A. McJunkin, Timothy R. Scott, Jill R. TI Comparison of ion trajectories in vacuum and viscous environments using SIMION: Insights for instrument design SO INTERNATIONAL JOURNAL OF MASS SPECTROMETRY LA English DT Article DE ion motion; vacuum; atmosphere; spectrometry; simulation ID ELECTROSTATIC LENS SYSTEMS; COMPUTER-SIMULATIONS; OPTICS; FIELD; TRAP; SPECTROMETRY; PRESSURE; MIRROR AB The effective use of electrostatic and magnetic fields to control ion motion serves as the foundation for many scientific instruments. The advent of powerful personal computers and simulation programs, such as SIMION, have served to broaden the understanding of ion motion in vacuum throughout the scientific instrument community. The relatively recent development of a statistical dynamics simulation user program for SIMION 7.0 has provided a more accessible view into ion motions at elevated pressures and the opportunity to more fully illuminate ion motion differences between vacuum and viscous environments (e.g., electrostatic refraction, motion through grids, and magnetic fields). The loss of kinetic energy limits options for controlling ion motion in viscous conditions. For refraction, only net accelerating field methods (converging or diverging) are possible in viscous regimes. Motion of ions around wires in grids also has more severe consequences in viscous conditions than in vacuum. For magnetic fields, a good "rule-of-thumb" is that an ion must be able to complete a significant fraction of its cyclotron radius between collisions for the magnetic field to affect ion diffusion. At slightly reduced pressures, combined magnetic and electrostatic fields can be used to control ion trajectories. The difference in ion behavior is governed by the fact that kinetic energy of ion motion is retained in vacuum, but lost to collisions with the bath gas in viscous atmospheres. Because of the loss of kinetic energy, ion behavior in electrostatic and magnetic fields under viscous conditions is dramatically different than in vacuum. Published by Elsevier B.V. C1 Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Scott, JR (reprint author), Idaho Natl Lab, 2525 N Fremont Ave, Idaho Falls, ID 83415 USA. EM jill.scott@inl.gov RI McJunkin, Timothy/G-8385-2011; Scott, Jill/G-7275-2012 OI McJunkin, Timothy/0000-0002-4987-9170; NR 38 TC 25 Z9 25 U1 3 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1387-3806 J9 INT J MASS SPECTROM JI Int. J. Mass Spectrom. PD OCT 1 PY 2007 VL 266 IS 1-3 BP 156 EP 165 DI 10.1016/j.ijms.2007.07.008 PG 10 WC Physics, Atomic, Molecular & Chemical; Spectroscopy SC Physics; Spectroscopy GA 217JP UT WOS:000249944500018 ER PT J AU Thompson, WT Lewis, BJ Corcoran, EC Kaye, MH White, SJ Akbari, F He, Z Verrall, R Higgs, JD Thompson, DM Besmann, TM Vogel, SC AF Thompson, W. T. Lewis, B. J. Corcoran, E. C. Kaye, M. H. White, S. J. Akbari, F. He, Z. Verrall, R. Higgs, J. D. Thompson, D. M. Besmann, T. M. Vogel, S. C. TI Thermodynamic treatment of uranium dioxide based nuclear fuel SO INTERNATIONAL JOURNAL OF MATERIALS RESEARCH LA English DT Article DE U-O system; nuclear fuel; thermodynamics; fission products ID IRRADIATED OXIDE FUELS; RU-RH-PD; FISSION-PRODUCTS; CHEMICAL-STATE; ACCIDENT CONDITIONS; PHASE-EQUILIBRIA; VAPOR TRANSPORT; UO2-PUO2 SYSTEM; DEFECTIVE FUEL; UO2 AB Many projects involving nuclear fuel rest on a quantitative understanding of the co-existing phases at various stages of burnup. Since the fission products have considerably different abilities to chemically associate with oxygen, and the metal-to-oxygen molar ratio is necessarily increasing the chemical potential of oxygen is a function of burnup. Concurrently, well-recognized small fractions of new phases such as inert gas, noble metals, zirconates, etc. also develop. To further complicate matters, the dominant UO2 fuel phase may be non-stoichiometric and most of the minor phases themselves have a variable composition dependent on temperature and possible contact with the coolant in the event of a sheathing breach. A thermodynamic database has been in development to predict the phases in partially burned CANDU (CANada Deuterium Uranium) nuclear fuel containing the major fission products. The building blocks are the standard Gibbs energies of formation of the many possible compounds expressed as a function of temperature. To these data are added mixing terms associated with the appearance of the component species in particular phases. In operational terms, the treatment rests on the ability to minimize the Gibbs energy in a multicomponent system using the algorithms developed by Eriksson. The treatment, considered applicable in the range 300 to 2000 degrees C, is capable of handling non-stoichiometry in the UO2 fluorite phase, dilute solution behaviour of significant solute oxides, noble metal inclusions, a second metal solid solution U(Pd-Rh-Ru)(3), zirconate, molybdate, and uranate solutions as well as other minor solid phases, and volatile gaseous species. The paper highlights the current capability of an ongoing project. C1 Royal Mil Coll Canada, Dept Chem & Chem Engn, Kingston, ON K7K 7B4, Canada. Atom Energy Canada Ltd, Chalk River Labs, Chalk River, ON K0J 1J0, Canada. Atom Energy Canada Ltd, Point Lepreau, St John, NB, Canada. Praxair Inc, Tonawanda, NY USA. Oak Ridge Natl Lab, Oak Ridge, TN USA. Los Alamos Natl Lab, Los Alamos, NM USA. RP Thompson, WT (reprint author), Royal Mil Coll Canada, Dept Chem & Chem Engn, 17000 Stn Forces, Kingston, ON K7K 7B4, Canada. EM thompson-w@rmc.ca RI Lujan Center, LANL/G-4896-2012; OI Vogel, Sven C./0000-0003-2049-0361 NR 58 TC 12 Z9 12 U1 2 U2 26 PU CARL HANSER VERLAG PI MUNICH PA KOLBERGERSTRASSE 22, POSTFACH 86 04 20, D-81679 MUNICH, GERMANY SN 1862-5282 J9 INT J MATER RES JI Int. J. Mater. Res. PD OCT PY 2007 VL 98 IS 10 BP 1004 EP 1011 DI 10.3139/146.101556 PG 8 WC Metallurgy & Metallurgical Engineering SC Metallurgy & Metallurgical Engineering GA 233AE UT WOS:000251062000012 ER PT J AU Gelis, F Lappi, T Venugopalan, R AF Gelis, Francois Lappi, Tuomas Venugopalan, Raju TI High energy scattering in quantum chromodynamics SO INTERNATIONAL JOURNAL OF MODERN PHYSICS E-NUCLEAR PHYSICS LA English DT Article; Proceedings Paper CT 10th Hadron Physics Workshop CY MAR 26-31, 2007 CL Florianopolis, BRAZIL ID COLOR GLASS CONDENSATE; HEAVY-ION COLLISIONS; GLUON DISTRIBUTION-FUNCTIONS; INELASTIC EP SCATTERING; STRONG EXTERNAL SOURCES; FREE GAUGE THEORIES; PARTICLE-PRODUCTION; NUCLEAR COLLISIONS; SMALL-X; RENORMALIZATION-GROUP AB In this series of three lectures, we discuss several aspects of high energy scattering among hadrons in Quantum Chromodynamics. The first lecture is devoted to a description of the parton model, Bjorken scaling and the scaling violations due to the evolution of parton distributions with the transverse resolution scale. The second lecture describes parton evolution at small momentum fraction x, the phenomenon of gluon saturation and the Color Glass Condensate (CGC). In the third lecture, we present the application of the CGC to the study of high energy hadronic collisions, with emphasis on nucleus-nucleus collisions. In particular, we provide the outline of a proof of high energy factorization for inclusive gluon production. C1 [Gelis, Francois] CERN, Div Theory, PH TH, CH-1211 Geneva 23, Switzerland. [Lappi, Tuomas; Venugopalan, Raju] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Gelis, F (reprint author), CERN, Div Theory, PH TH, Case C01600, CH-1211 Geneva 23, Switzerland. EM francois.gelis@cern.ch; tvv@quark.phy.bnl.gov; raju@bnl.gov NR 104 TC 61 Z9 61 U1 0 U2 0 PU WORLD SCIENTIFIC PUBL CO PTE LTD PI SINGAPORE PA 5 TOH TUCK LINK, SINGAPORE 596224, SINGAPORE SN 0218-3013 EI 1793-6608 J9 INT J MOD PHYS E JI Int. J. Mod. Phys. E-Nucl. Phys. PD OCT PY 2007 VL 16 IS 9 BP 2595 EP 2637 DI 10.1142/S0218301307008331 PG 43 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 249YS UT WOS:000252267800003 ER PT J AU Goity, JL Scoccola, NN AF Goity, J. L. Scoccola, N. N. TI Excited baryon photoproduction in large N-c QCD SO INTERNATIONAL JOURNAL OF MODERN PHYSICS E-NUCLEAR PHYSICS LA English DT Article; Proceedings Paper CT 10th Hadron Physics Workshop CY MAR 26-31, 2007 CL Florianopolis, BRAZIL AB The photoproduction helicity amplitudes for the positive parity excited baryons are analyzed in the context of the 1/Nc expansion of QCD. C1 [Goity, J. L.] Hampton Univ, Dept Phys, Hampton, VA 23668 USA. [Goity, J. L.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. [Scoccola, N. N.] Comis Nacl Energia Atom, Dept Phys, RA-1429 Buenos Aires, DF, Argentina. [Scoccola, N. N.] Consejo Nacl Invest Cient & Tecn, RA-1033 Buenos Aires, DF, Argentina. [Scoccola, N. N.] Univ Favaloro, RA-1078 Buenos Aires, DF, Argentina. RP Goity, JL (reprint author), Hampton Univ, Dept Phys, Hampton, VA 23668 USA. EM goity@jlab.org; scoccola@tandar.enea.gov.ar NR 21 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 0218-3013 J9 INT J MOD PHYS E JI Int. J. Mod. Phys. E-Nucl. Phys. PD OCT PY 2007 VL 16 IS 9 BP 2898 EP 2901 DI 10.1142/S0218301307008677 PG 4 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 249YS UT WOS:000252267800037 ER PT J AU DeNardo, GL Hok, S Natarajan, A Cosman, M DeNardo, SJ Lightstone, FC Mirick, GR Yuan, A Perkins, J Sysko, VV Lehmann, J Balhorn, RL AF DeNardo, Gerald L. Hok, Saphon Natarajan, Arutselvan Cosman, Monique DeNardo, Sally J. Lightstone, Felice C. Mirick, Gary R. Yuan, Aina Perkins, Julie Sysko, Vladimir V. Lehmann, Joerg Balhorn, Rodney L. TI Characteristics of dimeric (bis) bidentate selective high affinity ligands as HLA-DR10 beta antibody mimics targeting non-Hodgkin's lymphoma SO INTERNATIONAL JOURNAL OF ONCOLOGY LA English DT Article DE antibodies; leukemia; lymphoma; nanomolecules; imaging; treatment ID MONOCLONAL-ANTIBODIES; HLA-DR; COMBINATORIAL LIBRARIES; DELIVERY; DESIGN; LYM-1; THERAPY; CELLS; RADIOIMMUNOTHERAPY; ANTI-CD20 AB Despite their large size, antibodies have proven to be suitable radioisotope carriers to deliver systemic radiotherapy, often molecular image-based, for lymphoma and leukemia. To mimic antibody (Ab) targeting behavior while decreasing size by 50-100x, a combination of computational and experimental methods were used to generate molecules that bind to unique sites within the HLA-DR epitopic region of Lym-1, an Ab shown effective in patients. Lym-1 Ab mimics (synthetic high afinity ligands; SHALs) were generated and studied in vitro, using live cell binding assays, and/or pharmacokinetic studies over 24 h in xenografted mice given 1 or 20 mu g SHAL doses i.v. Multimilligram amounts of each of the dimeric (bis) SHALs were synthesized at high purity, and labeled with indium-111 at high specific activity and purity. These SHALs were selective for HLA-DR and HLA-DR expressing malignant cells and had functional affinities that ranged from 10(-9) M (nanomolar) to 10(-10) M. Blood clearances ranged from 3.6 to 9.5 h and body clearances ranged from 15.2 to 43.0 h for the 6 his DOTA-SHALs studied in a mouse model for non-Hodgkin's lymphoma (NHL). While localization was shown in Raji NHL xenografts, biodistribution was influenced by 'sinks' for individual ligands of the SHALs. Highly pure, dimeric mimics for HLA-DR Ab were synthesized, biotinylated and. radiolabeled, and showed selectivity in vitro. Pharmacokinetic behavior in mice was influenced by the ligands and by the linker length of the dimeric SHALs. Nanomolar or better functional affinity was observed when a suitably long linker was used to connect the two bidentate SHALs. The concept and methodology are of interest because applicable for targeting most proteins; the SHAL synthetic platform is highly efficient and adaptive. C1 Univ Calif Davis, Ctr Canc, Sacramento, CA 95817 USA. Lawrence Livermore Natl Lab, Livermore, CA USA. RP DeNardo, GL (reprint author), Radiodiag & Therapy Mol Canc Inst, 1508 Alhambra Blvd,Room 3100, Sacramento, CA 95816 USA. EM gldenardo@ucdavis.edu FU NCI NIH HHS [P01-CA47829] NR 41 TC 8 Z9 8 U1 0 U2 4 PU PROFESSOR D A SPANDIDOS PI ATHENS PA 1, S MERKOURI ST, EDITORIAL OFFICE,, ATHENS 116 35, GREECE SN 1019-6439 J9 INT J ONCOL JI Int. J. Oncol. PD OCT PY 2007 VL 31 IS 4 BP 729 EP 740 PG 12 WC Oncology SC Oncology GA 215GC UT WOS:000249795300006 PM 17786303 ER PT J AU Sumpter, BG Meunier, V Vazquez-Mayagoitia, A Castellano, RK AF Sumpter, Bobby G. Meunier, Vincent Vazquez-Mayagoitia, Alvaro Castellano, Ronald K. TI Investigation of the nanoscale self-assembly of donor-sigma-acceptor molecules SO INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY LA English DT Article; Proceedings Paper CT 15th Conference on Current Trends in Computational Chemistry CY NOV 03-04, 2006 CL Jackson, MS SP NSF, NIH, Army High Performance Comp Rese Ctr, USA Engineer Res & Dev Ctr, Dept Defense, US Dept Commerce, Off Vice President Res & Strateg Initiat, JSU, Parallel Quantum Solut DE donor-acceptor; electronic structure calculations; self-assembly; supramolecular chemistry ID PI-PI-INTERACTIONS; TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; GAUSSIAN-BASIS SETS; AB-INITIO; ORGANIC-MOLECULES; ORBITAL METHODS; BENZENE DIMER; CHEMISTRY; SYSTEMS AB Electronic structure calculations are used to explore the nature of the interactions that lead to the self-assembly of a new class of functionalized donor-sigma-acceptor molecules, 1-aza-adamantanetriones (AATs), and the consequences of molecular structure on the resulting supramolecular systems. The results show how the self-assembly process originates from the saturated core of the molecules that underlies their shape, conformational preferences, and dipole-directed one-dimensional assembly. The solvation properties of the monomers are explored and H-1 NMR chemical shift values are determined and compared to experimental trends. A theoretical understanding of this class of supramolecular structures coupled with their molecular-level tunability introduces the possibility to design novel functional materials for specific electronic and optoelectronic applications. (c) 2007 Wiley Periodicals, Inc. C1 Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. Univ Autonoma Metropolitana Iztapalapa, Dept Quim, Mexico City 09340, DF, Mexico. Univ Florida, Dept Chem, Gainesville, FL 32611 USA. RP Sumpter, BG (reprint author), Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. EM sumpterbg@ornl.gov RI Castellano, Ronald/C-5082-2012; Meunier, Vincent/F-9391-2010; Sumpter, Bobby/C-9459-2013; Vazquez-Mayagoitia, Alvaro/A-9755-2010 OI Meunier, Vincent/0000-0002-7013-179X; Sumpter, Bobby/0000-0001-6341-0355; NR 42 TC 6 Z9 6 U1 0 U2 5 PU JOHN WILEY & SONS INC PI HOBOKEN PA 111 RIVER ST, HOBOKEN, NJ 07030 USA SN 0020-7608 J9 INT J QUANTUM CHEM JI Int. J. Quantum Chem. PD OCT PY 2007 VL 107 IS 12 BP 2233 EP 2242 DI 10.1002/qua.21411 PG 10 WC Chemistry, Physical; Mathematics, Interdisciplinary Applications; Physics, Atomic, Molecular & Chemical SC Chemistry; Mathematics; Physics GA 203MP UT WOS:000248979000008 ER PT J AU Berman, GP Bishop, AR Borgonovi, F Tsifrinovich, VI AF Berman, G. P. Bishop, A. R. Borgonovi, F. Tsifrinovich, V. I. TI Controllable adiabatic manipulation of the qubit state SO INTERNATIONAL JOURNAL OF QUANTUM INFORMATION LA English DT Article DE gate quantum computation; adiabatic quantum computation AB We propose a scheme which implements a controllable change of the state of the target spin qubit in such a way that both the control and the target spin qubits remain in their ground states. The interaction between the two spins is mediated by an auxiliary spin, which can transfer to its excited state. Our scheme suggests a possible relationship between the gate and adiabatic quantum computation. C1 Los Alamos Natl Lab, Div Theoret, CNLS, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, Theory Simulat & Computat Director, Los Alamos, NM 87545 USA. Univ Cattolina, Dipartimento Matemat, I-25121 Brescia, Italy. INFN, Sezione Pavia, Pavia, Italy. Polytech Univ, Six Metrotech Ctr, Dept Phys, Brooklyn, NY 11201 USA. RP Borgonovi, F (reprint author), Los Alamos Natl Lab, Div Theoret, CNLS, T13,MS B213, Los Alamos, NM 87545 USA. EM borgonovi@dmf.unicatt.it OI borgonovi, fausto/0000-0002-9730-1189 NR 7 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 0219-7499 J9 INT J QUANTUM INF JI Int. J. Quantum Inf. PD OCT PY 2007 VL 5 IS 5 BP 667 EP 672 DI 10.1142/S0219749907003110 PG 6 WC Computer Science, Theory & Methods; Physics, Particles & Fields; Physics, Mathematical SC Computer Science; Physics GA 237CS UT WOS:000251351100002 ER PT J AU Fransson, A Tsang, CF Rutqvist, J Gustafson, G AF Fransson, A. Tsang, C.-F. Rutqvist, J. Gustafson, G. TI A new parameter to assess hydromechanical effects in single-hole hydraulic testing and grouting SO INTERNATIONAL JOURNAL OF ROCK MECHANICS AND MINING SCIENCES LA English DT Article DE hydromechanical coupling; fractured rock; hydraulic testing; grouting ID ROCK FRACTURES; FLUID-FLOW; HARD-ROCK; STRESS AB Grouting or filling of the open voids in fractured rock is done by introducing a fluid (grout) through boreholes under pressure. The grout may be either a Newtonian fluid or a Bingham fluid. The penetration of the grout and the resulting pressure profile may give rise to hydromechanical effects, which depend on factors such as the fracture aperture, the pressure at the borehole, and the theological properties of the grout. In this paper, we postulate that a new parameter, angstrom, which is the areal integral of the fluid pressure change over the fracture plane, is an appropriate measure to describe the change in fracture aperture volume due to a change in effective stress. In many cases, analytic expressions are available to calculate pressure profiles and the angstrom parameter. The approach is verified using a fully coupled hydromechanical simulator for the case of a Newtonian fluid. Results of the verification exercise show that the new approach is reasonable and that the angstrom parameter is a good measure for the fracture volume change: i.e., the larger the angstrom parameter, the larger the fracture volume change, in an almost linear fashion. To demonstrate the application of the approach, short duration hydraulic tests and constant pressure grouting are studied. It is concluded that using analytic expressions for penetration lengths and pressure profiles to calculate the angstrom parameter provides a possibility to describe a complex situation and compare, discuss and weigh the impact of hydromechanical couplings for different alternative grouting strategies. Further, the analyses identify an effect of high-pressure grouting, that of uncontrolled grouting of larger fractures and insufficient (or less- than-expected) sealing of finer fractures under certain grouting conditions. (C) 2007 Elsevier Ltd. All rights reserved. C1 Chalmers, S-41296 Gothenburg, Sweden. Lawrence Berkeley Natl Lab, Berkeley, CA USA. RP Fransson, A (reprint author), Chalmers, S-41296 Gothenburg, Sweden. EM asa.fransson@chalmers.se RI Rutqvist, Jonny/F-4957-2015 OI Rutqvist, Jonny/0000-0002-7949-9785 NR 42 TC 6 Z9 10 U1 2 U2 14 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1365-1609 J9 INT J ROCK MECH MIN JI Int. J. Rock Mech. Min. Sci. PD OCT PY 2007 VL 44 IS 7 BP 1011 EP 1021 DI 10.1016/j.ijrmms.2007.02.007 PG 11 WC Engineering, Geological; Mining & Mineral Processing SC Engineering; Mining & Mineral Processing GA 203MS UT WOS:000248979300004 ER PT J AU Hadgu, T Lum, CC Bean, JE AF Hadgu, Teklu Lum, Clinton C. Bean, James E. TI Determination of heat capacity of Yucca Mountain stratigraphic layers SO INTERNATIONAL JOURNAL OF ROCK MECHANICS AND MINING SCIENCES LA English DT Article DE mineral abundance; Summation method; Specific heat capacity; Rock-grain specific heat capacity ID MINERALS AB The heat generated from the radioactive waste to be placed in the proposed geologic repository at Yucca Mountain, Nevada, will affect the thermal-hydrology of the stratigraphic layers. In order to assess the effect of the movement of repository heat into the fractured rocks accurate determination of thermodynamic and hydraulic properties is important. Specific heat capacity is one of the properties that are required to evaluate energy storage in the fractured rock. Rock-grain specific heat capacity, the subject of this study, is the specific heat capacity of the solid part of the rock. Yucca Mountain consists of alternating lithostratigraphic units of welded and non-welded ash-flow tuff, mainly rhyolitic in composition and displaying varying degrees of vitrification and alteration. Different methods exist that can be used to evaluate specific heat capacity of the stratigraphic layers. In this study, the mineral summation method, which is an addition of the weighted specific heat capacity of each mineral found in a specific layer, has been used based on Kopp's rule. The method utilized a mineralogic map of the rocks at the repository site. The Calico Hills formation and adjacent bedded tuff layers display a bimodal mineral distribution of vitric and zeolitic zones with differing mineralogies. Based on this bimodal distribution in zeolite abundance, the boundary between the vitric and zeolitic zones was selected to be 15% zeolitic abundance. Specific values have been calculated for these layers both as "layer average" and "zone average". The specific heat capacity determination method presented in this manuscript did not account for spatial variability in the horizontal direction within each layer. (C) 2007 Elsevier Ltd. All rights reserved. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Hadgu, T (reprint author), Sandia Natl Labs, POB 5800,MS0776, Albuquerque, NM 87185 USA. EM thadgu@sandia.gov NR 17 TC 7 Z9 7 U1 2 U2 9 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1365-1609 J9 INT J ROCK MECH MIN JI Int. J. Rock Mech. Min. Sci. PD OCT PY 2007 VL 44 IS 7 BP 1022 EP 1034 DI 10.1016/j.ijrmms.2007.02.006 PG 13 WC Engineering, Geological; Mining & Mineral Processing SC Engineering; Mining & Mineral Processing GA 203MS UT WOS:000248979300005 ER PT J AU Drichko, IL Smirnov, IY Suslov, AV Gal'perin, YM Vinokur, VM Myronov, M Mironov, OA AF Drichko, I. L. Smirnov, I. Yu. Suslov, A. V. Gal'perin, Yu. M. Vinokur, V. M. Myronov, M. Mironov, O. A. TI Static and high-frequency hole transport in p-Si/SiGe heterostructures in the extreme quantum limit SO JETP LETTERS LA English DT Article ID 2-DIMENSIONAL WIGNER CRYSTAL; MAGNETIC-FIELD; CONDUCTIVITY AB Complex high-frequency (HF), sigma(AC) = sigma(1) - i sigma(2), and static, sigma(DC), conductivities, as well as current-voltage characteristics, have been measured in p-Si/SiGe heterostructures with a low hole density (p = 8.2 x 10(10) cm(-2)) at temperatures T = 0.3-4.2 K in the ultraquantum limit, when the filling factor is v < 1. In order to determine the components of the HF conductivity, the acoustic contactless method in the "hybrid configuration" is used, when the surface acoustic wave propagates on the surface of the LiNbO3 piezoelectric and the heterostructure is pressed to the surface by a spring. The conductivities sigma(1) and sigma(2) are determined from the damping and velocity of the surface acoustic waves that are measured simultaneously with varying the magnetic field. The revealed HF conductivity features->> |sigma(2)|, the negative sign of sigma(2), the threshold behavior of the current-voltage characteristic, and the dependence I proportional to exp(-A/V-0.3) in the subthreshold region-indicate the formation of a pinned Wigner crystal (glass) in the ultraquantum limit (T = 0.3-0.8 K, B > 14 T). C1 Russian Acad Sci, AF Ioffe Physicotech Inst, St Petersburg 194021, Russia. Natl High Magnet Lab, Tallahassee, FL 32310 USA. Univ Oslo, Dept Phys, N-0316 Oslo, Norway. Univ Oslo, Ctr Adv Mat & Nanotechnol, N-0316 Oslo, Norway. Argonne Natl Lab, Argonne, IL 60439 USA. Musashi Inst Technol, Setagaya Ku, Tokyo 158, Japan. Univ Warwick Sci Pk, Venture Ctr, Coventry CV4 7EZ, W Midlands, England. Int Lab High Magnet Fields & Low Temp, PL-50985 Wroclaw, Poland. RP Drichko, IL (reprint author), Russian Acad Sci, AF Ioffe Physicotech Inst, Politekhn Skaya Ul 26, St Petersburg 194021, Russia. EM irina.l.drichko@mail.ioffe.ru RI Smirnov, Ivan/E-4685-2014; Suslov, Alexey/M-7511-2014; OI Suslov, Alexey/0000-0002-2224-153X; Mironov, Oleg A./0000-0002-9787-944X NR 11 TC 0 Z9 0 U1 0 U2 0 PU MAIK NAUKA/INTERPERIODICA/SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013-1578 USA SN 0021-3640 J9 JETP LETT+ JI Jetp Lett. PD OCT PY 2007 VL 86 IS 4 BP 244 EP 248 DI 10.1134/S0021364007160059 PG 5 WC Physics, Multidisciplinary SC Physics GA 226HW UT WOS:000250581100005 ER PT J AU Jones, RH AF Jones, Russell H. TI yourMSEcareer.com: If it only was as easy as using a web site SO JOM LA English DT Article C1 Pacific NW Natl Lab, Richland, WA 99354 USA. RP Jones, RH (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA. EM rjones@verizon.net NR 13 TC 0 Z9 0 U1 0 U2 0 PU MINERALS METALS MATERIALS SOC PI WARRENDALE PA 184 THORN HILL RD, WARRENDALE, PA 15086 USA SN 1047-4838 J9 JOM-US JI JOM PD OCT PY 2007 VL 59 IS 10 BP 19 EP 20 DI 10.1007/s11837-007-0125-1 PG 2 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA 217MI UT WOS:000249951600013 ER PT J AU Poutsma, ML AF Poutsma, Marvin L. TI Mechanistic analysis and thermochemical kinetic simulation of the products from pyrolysis of poly(alpha-methylstyrene), especially the unrecognized role of phenyl shift SO JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS LA English DT Article DE poly(alpha-methylstyrene); pyrolysis; computational modeling; radical mechanisms; phenyl shift ID POLY-ALPHA-METHYLSTYRENE; CHROMATOGRAPHY-MASS SPECTROMETRY; ELECTRON-SPIN-RESONANCE; ABSOLUTE RATE CONSTANTS; THERMAL-DEGRADATION; VINYL-POLYMERS; FREE-RADICALS; HYDROGEN ABSTRACTION; ALKYL RADICALS; DECOMPOSITION AB Mechanisms for pyrolysis of poly(alpha-methyl styrene) must rationalize high selectivity for monomer formation, negligible formation of volatile oligomers, and notably slow decrease in molecular weight compared with the rate of weight loss, i.e., unzipping dominates both back-biting and transfer. Backbone homolysis should form both a tert-benzylic radical R-tb(center dot) and a prim radical R-P(center dot), with formation of the latter potentially supplemented in chain propagation steps emanating from the former. Hence product-forming pathways characteristic of each are expected to compete. Simulations of initial product distributions based on assigned rate constants for chain propagation steps indicate that R-tb(center dot) is indeed predicted to efficiently unzip with minimal transfer or back-biting. However, RP is predicted to give comparable amounts of transfer and backbiting with minimal unzipping, behavior inconsistent with experimental data. The proposed escape from this impasse is a previously unrecognized pathway, 1,2-phenyl shift in R-P(center dot) to form a tert radical. If it undergoes beta-scission, the net result is an inter-conversion of R-P(center dot) to R-tb(center dot). Quantitative simulations suggest that this sequence is indeed highly competitive with other reactions of R-P(center dot) and thus efficiently subverts the otherwise expected propagation of chains emanating from R-P(center dot). 2007 Elsevier B.V. All rights reserved. C1 Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37830 USA. RP Poutsma, ML (reprint author), Oak Ridge Natl Lab, Div Chem Sci, POB 2008, Oak Ridge, TN 37830 USA. EM poutsmaml@oml.gov NR 55 TC 4 Z9 4 U1 1 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0165-2370 J9 J ANAL APPL PYROL JI J. Anal. Appl. Pyrolysis PD OCT PY 2007 VL 80 IS 2 BP 439 EP 452 DI 10.1016/j.jaap.2007.05.005 PG 14 WC Chemistry, Analytical; Spectroscopy SC Chemistry; Spectroscopy GA 216KN UT WOS:000249877000018 ER PT J AU Withers, PJ Preuss, M Steuwer, A Pang, JWL AF Withers, P. J. Preuss, M. Steuwer, A. Pang, J. W. L. TI Methods for obtaining the strain-free lattice parameter when using diffraction to determine residual stress SO JOURNAL OF APPLIED CRYSTALLOGRAPHY LA English DT Article ID X-RAY-DIFFRACTION; STAINLESS-STEEL; STATE; COMPOSITES; EVOLUTION; SURFACE AB The determination of residual stress by diffraction depends on the correct measurement of the strain-free lattice spacing d(hkl)(0), or alternatively the enforcement of some assumption about the state of strain or stress within the body. It often represents the largest uncertainty in residual stress measurements since there are many ways in which the strain-free lattice spacing can vary in ways that are unrelated to stress. Since reducing this uncertainty is critical to improving the reliability of stress measurements, this aspect needs to be addressed, but it is often inadequately considered by experimenters. Many different practical strategies for the determining of d(hkl)(0) or d(ref) have been developed, some well known, others less so. These are brought together here and are critically reviewed. In practice, the best method will vary depending on the particular application under consideration. Consequently, situations for which each method are appropriate are identified with reference to practical examples. C1 Univ Manchester, Sch Mat, Ctr Mat Sci, Manchester M1 7HS, Lancs, England. ESRF, ILL, FaME38, F-38042 Grenoble, France. Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Withers, PJ (reprint author), Univ Manchester, Sch Mat, Ctr Mat Sci, Grosvenor St, Manchester M1 7HS, Lancs, England. EM philip.withers@manchester.ac.uk RI Withers, Philip/A-6760-2009; Steuwer, Axel/D-1601-2014; Preuss, Michael/D-5847-2016 OI Preuss, Michael/0000-0003-3806-0415 NR 39 TC 84 Z9 86 U1 1 U2 25 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 0021-8898 J9 J APPL CRYSTALLOGR JI J. Appl. Crystallogr. PD OCT PY 2007 VL 40 BP 891 EP 904 DI 10.1107/S0021889807030269 PN 5 PG 14 WC Chemistry, Multidisciplinary; Crystallography SC Chemistry; Crystallography GA 207WL UT WOS:000249281700010 ER PT J AU Ahn, HJ Park, SU Chang, LS AF Ahn, Hyun-Ju Park, Soon-Ung Chang, Lim-Seok TI Effect of direct radiative forcing of Asian dust on the meteorological fields in east Asia during an Asian dust event period SO JOURNAL OF APPLIED METEOROLOGY AND CLIMATOLOGY LA English DT Article ID DELTA-EDDINGTON APPROXIMATION; COMMUNITY CLIMATE MODEL; MINERAL DUST; SIZE DISTRIBUTIONS; DRY-DEPOSITION; SAHARAN DUST; MARCH 2002; APRIL 1998; PARAMETERIZATION; TRANSPORT AB Coupled and noncoupled models in a grid of 60 x 60 km(2) in the eastern Asian domain have been employed to examine the effect of the direct radiative forcing of the Asian dust aerosol on meteorological fields for an intense Asian dust event observed in eastern Asia on 18-23 March 2002. The coupled model consists of the modified fifth-generation Pennsylvania State University-National Center for Atmospheric Research (NCAR) Mesoscale Model (MM5) with direct radiative forcing of the Asian dust aerosol through the NCAR Column Radiation Model and the Asian Dust Aerosol Model. The noncoupled model is MM5 without the direct radiative forcing of the Asian dust aerosol. The results indicate that the radiative cooling of the dust aerosol over the high-dust-concentration (HDC) region induces sinking motion and positive pressure perturbation near the surface, whereas the radiative warming of the aerosol near the top of the HDC layer induces rising motion and negative pressure perturbation, thereby enhancing the stable stratification in the dust layer. The induced positive pressure perturbation near the surface causes a dipole shape of the pressure perturbation field by forming a negative pressure perturbation toward the low pressure center downstream near the surface. This negative pressure perturbation is so deep and wide that the perturbation of the meteorological fields extends in the wide and deep regions away from the HDC region. The associated secondary circulation of this pressure perturbation reduces the low-level wind speed in the upstream HDC region but strengthens the downstream wind speed, resulting in reduction of dust emission in the upstream source region and downstream enhancement. Some of the dust aerosols lifted to the higher level by the synoptic rising motion are transported to the downstream direction more quickly with the upper-level strong wind, resulting in a bent-over shape of dust cloud in the downstream region with a maximum concentration near the surface and a secondary maximum in the upper level. The radiative flux convergence between these maximum dust layers produces a warm layer, thereby further enhancing the stable stratification. C1 Seoul Natl Univ, Sch Earth & Environm Sci, Seoul 151742, South Korea. Assoc Univ Inc, Brookhaven Natl Lab, Upton, NY 11973 USA. RP Park, SU (reprint author), Seoul Natl Univ, Sch Earth & Environm Sci, Seoul 151742, South Korea. EM supark@snu.ac.kr NR 39 TC 21 Z9 22 U1 0 U2 1 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 1558-8424 J9 J APPL METEOROL CLIM JI J. Appl. Meteorol. Climatol. PD OCT PY 2007 VL 46 IS 10 BP 1655 EP 1681 DI 10.1175/JAM2551.1 PG 27 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 230IU UT WOS:000250871000010 ER PT J AU Hayes, SL Rodgers, MR Lye, DJ Stelma, GN McKinstry, CA Malard, JM Vesper, SJ AF Hayes, S. L. Rodgers, M. R. Lye, D. J. Stelma, G. N. McKinstry, C. A. Malard, J. M. Vesper, S. J. TI Evaluating virulence of waterborne and clinical Aeromonas isolates using gene expression and mortality in neonatal mice followed by assessing cell culture's ability to predict virulence based on transcriptional response SO JOURNAL OF APPLIED MICROBIOLOGY LA English DT Article DE Aeromonas; gene expression; host response; virulence ID INTESTINAL EPITHELIAL-CELLS; DRINKING-WATER; YERSINIA-ENTEROCOLITICA; INFECTION; DIARRHEA; INTERLEUKIN-8; APOPTOSIS; CHILDREN; STRAINS AB Aims: To assess the virulence of Aeromonas spp. using two models, a neonatal mouse assay and a mouse intestinal cell culture. Methods and Results: After artificial infection with a variety of Aeromonas spp., mRNA extracts from the two models were processed and hydridized to murine microarrays to determine host gene response. Definition of virulence was determined based on host mRNA production in murine neonatal intestinal tissue and mortality of infected animals. Infections of mouse intestinal cell cultures were then performed to determine whether this simpler model system's mRNA responses correlated to neonatal results and therefore be predictive of virulence of Aeromonas spp. Virulent aeromonads up-regulated transcripts in both models including multiple host defense gene products (chemokines, regulation of transcription and apoptosis and cell signalling). Avirulent species exhibited little or no host response in neonates. Mortality results correlated well with both bacterial dose and average fold change of up-regulated transcripts in the neonatal mice. Conclusions: Cell culture results were less discriminating but showed promise as potentially being able to be predictive of virulence. Jun oncogene up-regulation in murine cell culture is potentially predictive of Aeromonas virulence. Significance and Impact of the Study: Having the ability to determine virulence of waterborne pathogens quickly would potentially assist public health officials to rapidly assess exposure risks. C1 US EPA, Natl Risk Management Res Lab, Water Supply Water Resources Div, Cincinnati, OH 45268 USA. US EPA, Natl Exposure Res Lab, Microbial & Chem Exposure Assessment Res Div, Cincinnati, OH 45268 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. RP Hayes, SL (reprint author), US EPA, Natl Risk Management Res Lab, Water Supply Water Resources Div, 26 W Martin Luther King Dr,MS 387, Cincinnati, OH 45268 USA. EM hayes.sam@epa.gov NR 30 TC 4 Z9 4 U1 1 U2 1 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 1364-5072 J9 J APPL MICROBIOL JI J. Appl. Microbiol. PD OCT PY 2007 VL 103 IS 4 BP 811 EP 820 DI 10.1111/j.1365-2672.2007.03318.x PG 10 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 215QY UT WOS:000249825300008 PM 17897183 ER PT J AU Brown, GS Betty, RG Brockmann, JE Lucero, DA Souza, CA Walsh, KS Boucher, RM Tezak, MS Wilson, MC Rudolph, T Lindquist, HDA Martinez, KF AF Brown, G. S. Betty, R. G. Brockmann, J. E. Lucero, D. A. Souza, C. A. Walsh, K. S. Boucher, R. M. Tezak, M. S. Wilson, M. C. Rudolph, T. Lindquist, H. D. A. Martinez, K. F. TI Evaluation of rayon swab surface sample collection method for Bacillus spores from nonporous surfaces SO JOURNAL OF APPLIED MICROBIOLOGY LA English DT Article DE sample recovery efficiency; spore sampling; surface sampling ID MICROBIAL-CONTAMINATION; ANTHRACIS AB Aim: To evaluate US Centers for Disease Control and Prevention recommended swab surface sample collection method for recovery efficiency and limit of detection for powdered Bacillus spores from nonporous surfaces. Methods and Results: Stainless steel and painted wallboard surface coupons were seeded with dry aerosolized Bacillus atrophaeus spores and surface concentrations determined. The observed mean rayon swab recovery efficiency from stainless steel was 0.41 with a standard deviation (SD) of +/- 0.17 and for painted wallboard was 0.41 with an SD of +/- 0.23. Evaluation of a sonication extraction method for the rayon swabs produced a mean extraction efficiency of 0.76 with an SD of +/- 0.12. Swab recovery quantitative limits of detection were estimated at 25 colony forming units (CFU) per sample area for both stainless steel and painted wallboard. Conclusions: The swab sample collection method may be appropriate for small area sampling (10 -25 cm(2)) with a high agent concentration, but has limited value for large surface areas with a low agent concentration. The results of this study provide information necessary for the interpretation of swab environmental sample collection data, that is, positive swab samples are indicative of high surface concentrations and may imply a potential for exposure, whereas negative swab samples do not assure that organisms are absent from the surfaces sampled and may not assure the absence of the potential for exposure. Significance and Impact of the Study: It is critical from a public health perspective that the information obtained is accurate and reproducible. The consequence of an inappropriate public health response founded on information gathered using an ineffective or unreliable sample collection method has the potential for undesired social and economic impact. C1 Sandia Natl Labs, Albuquerque, NM 87185 USA. Orion Int Labs, Albuquerque, NM USA. Amer Staff Augmentat Providers, Albuquerque, NM USA. Tact Staffing Resources, Albuquerque, NM USA. US EPA, Homeland Secur Res Ctr, Cincinnati, OH 45268 USA. NIOSH, Cincinnati, OH 45226 USA. RP Brown, GS (reprint author), Sandia Natl Labs, POB 5800,MS 0734, Albuquerque, NM 87185 USA. EM gbrown@sandia.gov NR 21 TC 31 Z9 31 U1 0 U2 9 PU BLACKWELL PUBLISHING PI OXFORD PA 9600 GARSINGTON RD, OXFORD OX4 2DQ, OXON, ENGLAND SN 1364-5072 J9 J APPL MICROBIOL JI J. Appl. Microbiol. PD OCT PY 2007 VL 103 IS 4 BP 1074 EP 1080 DI 10.1111/j.1365-2672.2007.03331.x PG 7 WC Biotechnology & Applied Microbiology; Microbiology SC Biotechnology & Applied Microbiology; Microbiology GA 215QY UT WOS:000249825300037 PM 17897212 ER PT J AU Delgado-Aparicio, LF Stutman, D Tritz, K Finkenthal, M Bell, R Hosea, J Kaita, R LeBlanc, B Roquemore, L Wilson, JR AF Delgado-Aparicio, L. F. Stutman, D. Tritz, K. Finkenthal, M. Bell, R. Hosea, J. Kaita, R. LeBlanc, B. Roquemore, L. Wilson, J. R. TI Fast electron temperature measurements using a "multicolor" optical soft x-ray array SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID INVERSION TECHNIQUE; PLASMAS AB A fast (<= 0.1 ms) and compact "multicolor" scintillator-based optical soft x-ray (OSXR) array has been developed for time- and space-resolved measurements of the electron temperature [T-e(R,t)] profiles in magnetically confined fusion plasmas. The 48-channel tangential multicolor OSXR prototype was tested on the National Spherical Torus Experiment. Each sight line views the same plasma volume at the midplane (0 <= r/a <= 1), in three distinct energy ranges determined by beryllium foils with different thicknesses. A tangential view of the toroidally (circular) symmetric plasma allows an Abel inversion of the line-integrated SXR brightness to obtain the x-ray emissivity profiles which are then used to constrain the reconstruction of the fast T-e(R,t). The first assessment of the electron temperature is obtained by modeling the slope of the continuum radiation with the ideal double-foil method using both the line-integrated intensity measurements as well as the inverted SXR emissivity profiles. C1 Johns Hopkins Univ, Plasma Spectroscopy Grp, Baltimore, MD 21218 USA. Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Delgado-Aparicio, LF (reprint author), Johns Hopkins Univ, Plasma Spectroscopy Grp, 3400 N Charles St, Baltimore, MD 21218 USA. EM delgapa@pha.jhu.edu RI Stutman, Dan/P-4048-2015 NR 11 TC 16 Z9 16 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 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD OCT 1 PY 2007 VL 102 IS 7 AR 073304 DI 10.1063/1.2786034 PG 7 WC Physics, Applied SC Physics GA 220HL UT WOS:000250147700020 ER PT J AU Furmanski, J Rubenchik, AM Shirk, MD Stuart, BC AF Furmanski, J. Rubenchik, A. M. Shirk, M. D. Stuart, B. C. TI Deterministic processing of alumina with ultrashort laser pulses SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID DIELECTRICS AB Ultrashort pulsed lasers can accurately ablate materials which are refractory, transparent, or are otherwise difficult to machine by other methods. The typical method of machining surfaces with ultrashort laser pulses is by raster scanning, or the machining of sequentially overlapping linear trenches. Experiments in which linear trenches were machined in alumina at various pulse overlaps and incident fluences are presented, and the dependence of groove depth on these parameters established. A model for the machining of trenches based on experimental data in alumina is presented, which predicts and matches observed trench geometry. This model is then used to predict optimal process parameters for the machining of trenches for maximal material removal rate for a given laser. C1 Univ Calif Berkeley, Berkeley, CA 94720 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Furmanski, J (reprint author), Univ Calif Berkeley, Berkeley, CA 94720 USA. EM shirk2@llnl.gov RI Stuart, Brent/K-4988-2015 NR 5 TC 3 Z9 4 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 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD OCT 1 PY 2007 VL 102 IS 7 AR 073112 DI 10.1063/1.279437 PG 4 WC Physics, Applied SC Physics GA 220HL UT WOS:000250147700013 ER PT J AU Gilbert, RJ Carleton, LM Dasse, KA Martin, PM Williford, RE Monzyk, BF AF Gilbert, Richard J. Carleton, Linda M. Dasse, Kurt A. Martin, Peter M. Williford, Ralph E. Monzyk, Bruce F. TI Photocatalytic generation of dissolved oxygen and oxyhemoglobin in whole blood based on the indirect interaction of ultraviolet light with a semiconducting titanium dioxide thin film SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID ARTIFICIAL LUNG; MANGANESE CLUSTER; TIO2 PARTICLES; PHOTOSYSTEM-II; MODEL; PLANTS; WATER AB Most current artificial lung technologies require the delivery of oxygen to the blood via permeable hollow fibers, depending on membrane diffusivity and differential partial pressure to drive gas exchange. We have identified an alternative approach in which dissolved oxygen (DO) is generated directly from the water content of blood through the indirect interaction of ultraviolet (UV) light with a semiconducting titanium dioxide thin film. This reaction is promoted by photon absorption and displacement of electrons from the photoactive film and yields a cascading displacement of electron "holes" to the aqueous interface resulting in the oxidation of water molecules to form DO. Anatase TiO2 (photocatalyst) and indium tin oxide (ITO) (electrically conductive and light transparent) coatings were deposited onto quartz flow-cell plates by direct current reactive magnetron sputtering. The crystal structure of the films was evaluated by grazing incidence x-ray diffraction, which confirmed that the primary crystal phase of the TiO2 thin film was anatase with a probable rutile secondary phase. Surface topology and roughness were determined by atomic force microscopy, demonstrating a stochastically uniform array of nanocrystallites. UV illumination of the titanium dioxide thin film through the quartz/ITO surface resulted in the rapid increase of DO and oxyhemoglobin in adjacent flowing blood on the opposite TiO2 surface at a rate of 1.0x10(-5) mmol O-2/s. The rate of oxyhemoglobin generation was linearly proportional to residence time adjacent to the photoactive surface in a flow-through test cell under steady-state conditions. Preliminary biocompatibility for the proposed photocatalytic effect on whole blood demonstrated no increase in the rate of hemolysis or generation of toxic byproducts of photo-oxidation. These results demonstrate the feasibility and safety of employing optoelectronic mechanisms to promote oxygenation of hemoglobin in whole blood and provide substantiation for the use of this technology as a mechanism for artificial respiratory support. (C) 2007 American Institute of Physics. C1 MIT, Dept Mech Engn, Cambridge, MA 02139 USA. Battelle Mem Inst, Columbus, OH 43201 USA. Levitronix Med, Waltham, MA 02451 USA. Pacific NW Natl Lab, Richland, WA 99354 USA. RP Gilbert, RJ (reprint author), MIT, Dept Mech Engn, Cambridge, MA 02139 USA. EM rgilbert@mit.edu NR 24 TC 1 Z9 1 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 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD OCT 1 PY 2007 VL 102 IS 7 AR 073512 DI 10.1063/1.2738375 PG 10 WC Physics, Applied SC Physics GA 220HL UT WOS:000250147700032 ER PT J AU Grilli, F Ashworth, SP Civale, L AF Grilli, Francesco Ashworth, Stephen P. Civale, Leonardo TI Interaction of magnetic field and magnetic history in high-temperature superconductors SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID CRITICAL-CURRENT DENSITY; YBCO COATED CONDUCTORS; AC LOSSES; DISTRIBUTIONS AB Yttrium barium copper oxide (YBCO) coated conductors are now the most promising high-temperature superconducting tapes in terms of current capacity and price. One form of these conductors utilizes YBCO films on Ni-W metallic tapes and is being considered for a number of power engineering applications. In these applications, the conductor will carry an ac current, leading to energy losses, which are the focus of significant technical and experimental efforts. Our measurements of the ac losses of YBCO/Ni-W conductors carrying ac currents in applied dc magnetic fields have revealed a complex interaction between the magnetic materials present, the geometry of the conductor, the ac and dc magnetic fields, and the electromagnetic "history" of the sample. The investigation of this interaction is the main subject of this paper. (C) 2007 American Institute of Physics. C1 Los Alamos Natl Lab, Superconduct Technol Ctr, Los Alamos, NM 87545 USA. RP Grilli, F (reprint author), Los Alamos Natl Lab, Superconduct Technol Ctr, POB 1663, Los Alamos, NM 87545 USA. EM francesco.grilli@epfl.ch OI Civale, Leonardo/0000-0003-0806-3113 NR 14 TC 27 Z9 28 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 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD OCT 1 PY 2007 VL 102 IS 7 AR 073909 DI 10.1063/1.2785959 PG 6 WC Physics, Applied SC Physics GA 220HL UT WOS:000250147700088 ER PT J AU Hsu, L Jones, RE Li, SX Yu, KM Walukiewicz, W AF Hsu, L. Jones, R. E. Li, S. X. Yu, K. M. Walukiewicz, W. TI Electron mobility in InN and III-N alloys SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID FUNDAMENTAL-BAND GAP; NITRIDE ALLOYS; ALUMINUM NITRIDES; PHONON SCATTERING; SEMICONDUCTORS; HETEROSTRUCTURES; DEPENDENCE; ABSORPTION; CRYSTALS; DEFECTS AB We have calculated electron mobilities in InN and its III-nitride alloys using a variational procedure and taking into account the standard scattering mechanisms of Coulomb scattering, alloy disorder, and optical and acoustic phonons. The effects of the nonparabolicity of the conduction band and resulting energy-dependent effective mass have also been included. Scattering from charged Coulombic centers and alloy disorder are the dominant scattering mechanisms that limit the mobilities in currently available materials. Phonons play a role only in relatively pure (n < 10(18) cm(-3)) samples or at very high temperatures (T>400 K). In addition, our calculations are in good agreement with experimental Hall mobilities obtained through controlled doping studies performed on InN, InGaN, and InAlN by high energy irradiation. (C) 2007 American Institute of Physics. C1 Univ Minnesota, Dept Postsecondary Teaching & Learning, Minneapolis, MN 55455 USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Div Mat Sci, Elect Mat Program, Berkeley, CA 94720 USA. Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Walukiewicz, W (reprint author), Univ Minnesota, Dept Postsecondary Teaching & Learning, Minneapolis, MN 55455 USA. EM w_walukiewicz@lbl.gov RI Yu, Kin Man/J-1399-2012 OI Yu, Kin Man/0000-0003-1350-9642 NR 27 TC 36 Z9 38 U1 3 U2 26 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 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD OCT 1 PY 2007 VL 102 IS 7 AR 073705 DI 10.1063/1.2785005 PG 6 WC Physics, Applied SC Physics GA 220HL UT WOS:000250147700063 ER PT J AU Jensen, KL Moody, NA Feldman, DW Montgomery, EJ O'Shea, PG AF Jensen, Kevin L. Moody, N. A. Feldman, D. W. Montgomery, E. J. O'Shea, P. G. TI Photoemission from metals and cesiated surfaces SO JOURNAL OF APPLIED PHYSICS LA English DT Review ID FREE-ELECTRON LASERS; WORK FUNCTION VARIATION; MEAN FREE PATHS; TUNGSTEN PHOTOCATHODES; PHOTOELECTRIC-EMISSION; THERMIONIC EMISSION; REFRACTORY METALS; EMITTANCE GROWTH; HOT-ELECTRONS; SCATTERING AB A model of photoemission from coated surfaces is significantly modified by first providing a better account of the electron scattering relaxation time that is used throughout the theory, and second by implementing a distribution function based approach ("Moments") to the emission probability. The latter allows for the evaluation of the emittance and brightness of the electron beam at the photocathode surface. Differences with the Fowler-Dubridge model are discussed. The impact of the scattering model and the Moments approach on the estimation of quantum efficiency from metal surfaces, either bare or partially covered with cesium, are compared to experiment. The estimation of emittance and brightness is made for typical conditions, and the derivation of their asymptotic limits is given. The adaptation of the models for beam simulation codes is briefly discussed. (C) 2007 American Institute of Physics. C1 USN, Res Lab, Washington, DC 20375 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Univ Maryland, College Pk, MD 20742 USA. RP Jensen, KL (reprint author), USN, Res Lab, Code 6843, Washington, DC 20375 USA. EM kevin.jensen@nrl.navy.mil RI Jensen, Kevin/I-1269-2015 OI Jensen, Kevin/0000-0001-8644-1680 NR 121 TC 26 Z9 26 U1 1 U2 29 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 OCT 1 PY 2007 VL 102 IS 7 AR 074902 DI 10.1063/1.2786028 PG 19 WC Physics, Applied SC Physics GA 220HL UT WOS:000250147700147 ER PT J AU Lee, DI Sun, Y Liu, Z Sun, SY Peterson, S Pianetta, P AF Lee, Dong-Ick Sun, Yun Liu, Zhi Sun, Shiyu Peterson, Samuel Pianetta, Piero TI The distribution of oxide species in the Cs/O activation layer on InP(100) negative electron affinity photocathodes SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID WORK-FUNCTION; 110 SURFACES; CESIUM; OXYGEN; FILMS; PHOTOEMISSION; SUBOXIDES; GAAS AB The atomic arrangement of Cs oxides in the activation layer of an InP photocathode is investigated using angle dependent photoemission spectroscopy. Two distinct peaks in the O1s core level and in valence band spectra have led to the discovery of two molecular oxygen species incorporated in the thin activation layer: Cs peroxide (Cs2O2) and Cs superoxide (CsO2). The different angular dependences of these oxides observed in the photoemission spectra are caused by different vertical locations of the oxygen molecules in each Cs oxide in the activation layer. The thickness of the activation layer, which is about 7 A, suggests lateral distribution of Cs peroxide and Cs superoxide. The quantum efficiency of InP photocathodes in our ultra high vacuum system decreases with time due to the chemical transformation of the Cs oxides and subsequent substrate oxidation, as deduced from an observation of the peak evolution in the photoemission spectra, and supported by the thermodynamic stability of Cs superoxide as compared to Cs peroxide when there is residual oxygen around. (C) 2007 American Institute of Physics. C1 Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. RP Sun, Y (reprint author), Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. EM ssun@slac.stanford.edu RI Liu, Zhi/B-3642-2009 OI Liu, Zhi/0000-0002-8973-6561 NR 24 TC 4 Z9 4 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 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD OCT 1 PY 2007 VL 102 IS 7 AR 074909 DI 10.1063/1.2786885 PG 5 WC Physics, Applied SC Physics GA 220HL UT WOS:000250147700154 ER PT J AU Liu, C Xiao, XC Wang, J Shi, B Adiga, VP Carpick, RW Carlisle, JA Auciello, O AF Liu, Chao Xiao, Xingcheng Wang, Jian Shi, Bing Adiga, Vivekananda P. Carpick, Robert W. Carlisle, John A. Auciello, Orlando TI Dielectric properties of hydrogen-incorporated chemical vapor deposited diamond thin films SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID ELASTIC RECOIL DETECTION; CAPACITANCE-VOLTAGE MEASUREMENTS; CVD DIAMOND; ULTRANANOCRYSTALLINE DIAMOND; POLYCRYSTALLINE DIAMOND; SINGLE-CRYSTAL; NANOCRYSTALLINE; SURFACES; NITROGEN AB Diamond thin films with a broad range of microstructures from a ultrananocrystalline diamond (UNCD) form developed at Argonne National Laboratory to a microcrystalline diamond (MCD) form have been grown with different hydrogen percentages in the Ar/CH4 gas mixture used in the microwave plasma enhanced chemical vapor deposition (CVD) process. The dielectric properties of the CVD diamond thin films have been studied using impedance and dc measurements on metal-diamond-metal test structures. Close correlations have been observed between the hydrogen content in the bulk of the diamond films, measured by elastic recoil detection (ERD), and their electrical conductivity and capacitance-frequency (C-f) behaviors. Addition of hydrogen gas in the Ar/CH4 gas mixture used to grow the diamond films appears to have two main effects depending on the film microstructure, namely, (a) in the UNCD films, hydrogen incorporates into the atomically abrupt grain boundaries satisfying sp(2) carbon dangling bonds, resulting in increased resistivity, and (b) in MCD, atomic hydrogen produced in the plasma etches preferentially the graphitic phase codepositing with the diamond phase, resulting in the statistical survival and growth of large diamond grains and dominance of the diamond phase, and thus having significant impact on the dielectric properties of these films. (C) 2007 American Institute of Physics. C1 Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. Univ Wisconsin, Mat Sci Program, Madison, WI 53706 USA. Univ Penn, Dept Mech Engn & Appl Mech, Philadelphia, PA 19104 USA. Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Liu, C (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM chaoliu@anl.gov RI adiga, vivekananda /A-2093-2010 OI adiga, vivekananda /0000-0001-5979-6830 NR 31 TC 17 Z9 17 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 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD OCT 1 PY 2007 VL 102 IS 7 AR 074115 DI 10.1063/1.2785874 PG 7 WC Physics, Applied SC Physics GA 220HL UT WOS:000250147700105 ER PT J AU Melechko, AV Klein, KL Fowlkes, JD Hensley, DK Merkulov, IA McKnight, TE Rack, PD Horton, JA Simpson, ML AF Melechko, A. V. Klein, K. L. Fowlkes, J. D. Hensley, D. K. Merkulov, I. A. McKnight, T. E. Rack, P. D. Horton, J. A. Simpson, M. L. TI Control of carbon nanostructure: From nanofiber toward nanotube and back SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID CHEMICAL-VAPOR-DEPOSITION; GROWTH; FABRICATION; ARRAYS; SCALE; FUNCTIONALIZATION; NUCLEATION; MICROSCOPY; ELECTRODES AB The unique properties of carbon nanofibers (CNFs) make them attractive for numerous applications ranging from field emitters to biological probes. In particular, it is the deterministic synthesis of CNFs, which requires precise control over geometrical characteristics such as location, length, diameter, and alignment, that enables the diverse applications. Catalytic plasma enhanced chemical vapor deposition of vertically aligned CNFs is a growth method that offers substantial control over the nanofiber geometry. However, deterministic synthesis also implies control over the nanofiber's physical and chemical properties that are defined by internal structure. Until now, true deterministic synthesis has remained elusive due to the lack of control over internal graphitic structure. Here we demonstrate that the internal structure of CNFs can be influenced by catalyst preparation and ultimately defined by growth conditions. We have found that when the growth rate is increased by 100-fold, obtained through maximized pressure, plasma power, and temperature, the resulting nanofibers have an internal structure approaching that of multiwalled nanotubes. We further show that the deliberate modulation of growth parameters results in modulation of CNF internal structure, and this property has been used to control the CNF surface along its length for site specific chemistry and electrochemistry. (C) 2007 American Institute of Physics. C1 Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. Russian Acad Sci, AF Ioffe Physicotech Inst, St Petersburg 196140, Russia. Oak Ridge Natl Lab, Engn Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Melechko, AV (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM acm@ornl.gov RI Melechko, Anatoli/B-8820-2008; McKnight, Tim/H-3087-2011; Simpson, Michael/A-8410-2011; Hensley, Dale/A-6282-2016; OI McKnight, Tim/0000-0003-4326-9117; Simpson, Michael/0000-0002-3933-3457; Hensley, Dale/0000-0001-8763-7765; Rack, Philip/0000-0002-9964-3254 NR 41 TC 13 Z9 13 U1 1 U2 2 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 OCT 1 PY 2007 VL 102 IS 7 AR 074314 DI 10.1063/1.2786710 PG 7 WC Physics, Applied SC Physics GA 220HL UT WOS:000250147700123 ER PT J AU Morozovska, AN Eliseev, EA Kalinin, SV AF Morozovska, Anna N. Eliseev, Eugene A. Kalinin, Sergei V. TI The piezoresponse force microscopy of surface layers and thin films: Effective response and resolution function SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID PIEZOELECTRIC RESPONSE; PHASE-TRANSITIONS; CAPACITORS; FLEXOELECTRICITY; FERROELECTRICS; FATIGUE AB Signal formation mechanism in piezoresponse force microscopy (PFM) of piezoelectric surface layers and thin films on rigid and elastically matched substrates with different dielectric properties is analyzed and compared. This analysis provides the extension of recent studies of clamping effects in thin films in uniform fields [K. Lefki and G. J. M. Dormans, J. Appl. Phys. 76, 1764 (1994); L. Chen , J. Mater. Res. 19, 2853 (2004)] and in PFM in uniform materials [S. V. Kalinin , Phys. Rev. B 70, 184101 (2004); A. N. Morozovska , Phys. Rev. B 75, 174109 (2007)] to the case of PFM of thin films. Thickness dependence of effective piezoelectric response, object transfer function components, and Rayleigh two-point resolution are derived. Obtained exact series and simple Pade approximations can be applied for the effective piezoresponse analytical calculations in the case of films capped on various substrates. The effective piezoresponse is thickness dependent for films on substrates with low dielectric permittivity (extrinsic size effect), whereas the thickness dependence is essentially suppressed for giant permittivity or metallic substrates. The implications of analysis for ferroelectric data storage and device applications are discussed. (C) 2007 American Institute of Physics. C1 Natl Acad Sci Ukraine, V Lashkaryov Inst Semicond Phys, UA-03028 Kiev, Ukraine. Natl Acad Sci Ukraine, Inst Problems Mat Sci, UA-03142 Kiev, Ukraine. Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Morozovska, AN (reprint author), Natl Acad Sci Ukraine, V Lashkaryov Inst Semicond Phys, 45 Pr Nauki, UA-03028 Kiev, Ukraine. EM morozo@i.com.ua; sergei2@ornl.gov RI Kalinin, Sergei/I-9096-2012 OI Kalinin, Sergei/0000-0001-5354-6152 NR 43 TC 29 Z9 29 U1 3 U2 19 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD OCT 1 PY 2007 VL 102 IS 7 AR 074105 DI 10.1063/1.2785824 PG 12 WC Physics, Applied SC Physics GA 220HL UT WOS:000250147700095 ER PT J AU Reed, SA Chvykov, V Kalintchenko, G Matsuoka, T Yanovsky, V Vane, CR Beene, JR Stracener, D Schultz, DR Maksimchuk, A AF Reed, S. A. Chvykov, V. Kalintchenko, G. Matsuoka, T. Yanovsky, V. Vane, C. R. Beene, J. R. Stracener, D. Schultz, D. R. Maksimchuk, A. TI Efficient initiation of photonuclear reactions using quasimonoenergetic electron beams from laser wakefield acceleration SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID NUCLEAR-REACTIONS; PULSE; ULTRASHORT; NEUTRON AB Pulses of nearly monoenergetic relativistic electrons have been generated by laser wakefield acceleration and used to perform photonuclear activation of carbon, copper, and photofission in uranium. Using bremsstrahlung converter targets, the electron beams generated by this technique have been shown to be effective in producing high energy gamma-rays (tens of MeV) that are necessary to efficiently induce photonuclear reactions. Quantitative gamma-ray spectroscopy of the irradiated C, Cu, and U samples indicates that more than 10(5) reactions were produced per joule of laser energy. The activation yield measurements have been compared with Monte Carlo modeling of electromagnetic cascade and photonuclear processes occurring in the targets to infer the characteristics of the laser accelerated electron beams. C1 Univ Michigan, FOCUS Ctr, Ann Arbor, MI 48109 USA. Univ Michigan, Ctr Ultrafast Opt Sci, Ann Arbor, MI 48109 USA. Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. RP Reed, SA (reprint author), Univ Michigan, FOCUS Ctr, Ann Arbor, MI 48109 USA. EM reedsa@umich.edu RI Yanovsky, Victor/B-5899-2008; Kalinchenko, Galina/G-5684-2014 NR 27 TC 7 Z9 7 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 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD OCT 1 PY 2007 VL 102 IS 7 AR 073103 DI 10.1063/1.2787159 PG 7 WC Physics, Applied SC Physics GA 220HL UT WOS:000250147700004 ER PT J AU Rovagnati, B Davoudabadi, M Lapenta, G Mashayek, F AF Rovagnati, B. Davoudabadi, M. Lapenta, G. Mashayek, F. TI Effect of collisions on dust particle charging via particle-in-cell Monte-Carlo collision SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID SPHERICAL ELECTROSTATIC PROBES; COMPLEX GEOMETRIES; ION COLLECTION; PLASMA; DISCHARGES; SIMULATIONS; MODEL; SHEATH; ATOMS AB In this paper, the effect of collisions on the charging and shielding of a single dust particle immersed in an infinite plasma is studied. A Monte-Carlo collision (MCC) algorithm is implemented in the particle-in-cell DEMOCRITUS code to account for the collisional phenomena which are typical of dusty plasmas in plasma processing, namely, electron-neutral elastic scattering, ion-neutral elastic scattering, and ion-neutral charge exchange. Both small and large dust particle radii, as compared to the characteristic Debye lengths, are considered. The trends of the steady-state dust particle potential at increasing collisionality are presented and discussed. The ions and electron energy distributions at various locations and at increasing collisionality in the case of large particle radius are shown and compared to their local Maxwellians. The ion-neutral charge-exchange collision is found to be by far the most important collisional phenomenon. For small particle radius, collisional effects are found to be important also at low level of collisionality, as more ions are collected by the dust particle due to the destruction of trapped ion orbits. For large particle radius, the major collisional effect is observed to take place in proximity of the presheath. Finally, the species energy distribution functions are found to approach their local Maxwellians at increasing collisionality. C1 Univ Illinois, Dept Mech & Ind Engn, Chicago, IL 60607 USA. Katholieke Univ Leuven, Dept Wiskunde, Ctr Plasma Astrofys, B-3001 Louvain, Belgium. Los Alamos Natl Lab, Plasma Theory Grp, Los Alamos, NM 87545 USA. RP Mashayek, F (reprint author), Univ Illinois, Dept Mech & Ind Engn, 842 W Taylor St, Chicago, IL 60607 USA. EM mashayek@uic.edu OI Lapenta, Giovanni/0000-0002-3123-4024 NR 47 TC 14 Z9 15 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 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD OCT 1 PY 2007 VL 102 IS 7 AR 073302 DI 10.1063/1.2786032 PG 9 WC Physics, Applied SC Physics GA 220HL UT WOS:000250147700018 ER PT J AU Sun, Y Liu, Z Pianetta, P Lee, DI AF Sun, Yun Liu, Zhi Pianetta, Piero Lee, Dong-Ick TI Formation of cesium peroxide and cesium superoxide on InP photocathode activated by cesium and oxygen SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID WORK-FUNCTION; GAAS PHOTOCATHODES; CS; SURFACES; PHOTOEMISSION; GAAS(100); FILMS; SPECTROSCOPY; ADSORPTION AB Activation of p-type III-V semiconductors with cesium and oxygen has been widely used to prepare negative electron affinity (NEA) photocathodes. However, the nature of the chemical species on the surface after the activation is not well understood. In this study, InP NEA photocathodes activated with cesium and oxygen are studied using synchrotron radiation photoelectron spectroscopy, also called photoemission. Based on the O 1s core level as well as the valence band spectra, Cs peroxide and Cs superoxide are identified on the InP surface. Transformation from Cs peroxide to Cs superoxide is observed after the activation, and is probably the major reason for the decay of the quantum yield of the photocathode. The oxidation of the InP substrate is also observed with elapse of time, adding to the decay of the quantum yield. (C) 2007 American Institute of Physics. C1 Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. RP Sun, Y (reprint author), Stanford Synchrotron Radiat Lab, Menlo Pk, CA 94025 USA. EM ssun@slac.stanford.edu RI Liu, Zhi/B-3642-2009 OI Liu, Zhi/0000-0002-8973-6561 NR 28 TC 18 Z9 19 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 EI 1089-7550 J9 J APPL PHYS JI J. Appl. Phys. PD OCT 1 PY 2007 VL 102 IS 7 AR 074908 DI 10.1063/1.2786882 PG 6 WC Physics, Applied SC Physics GA 220HL UT WOS:000250147700153 ER PT J AU Gouveia, FJ Leach, MJ Shinn, JH Ralph, WE AF Gouveia, Frank J. Leach, Martin J. Shinn, Joseph H. Ralph, William E. TI Use of a large crane for wind and tracer profiles in an urban setting SO JOURNAL OF ATMOSPHERIC AND OCEANIC TECHNOLOGY LA English DT Article ID TURBULENCE AB Although measured vertical profiles of wind, turbulence, and tracer concentrations are critical for understanding the urban boundary layer, it is problematic to field a sounding system or a tall structure to support anemometers in a densely populated area. Anemometers mounted on an existing building may be measuring flow distorted by that building. During the Joint Urban 2003 field experiment in Oklahoma City, the authors solved these problems by using a large crane to support a cable and crossarm framework holding a vertical array of eight 3D sonic anemometers. The highest level was over 80 m above the surface; the lowest was just under 8 m. The open-lattice structure of the crane boom and skeletal array framework did not substantially alter the airflow to the sensors. Review of the spectra shows that there are no consistent oscillations in the wind data. Data were accepted from all azimuths, although the flow was from the south 80% of the time. Profiles of wind show pronounced curvature, indicating that the higher levels may be affected by rougher surfaces at a great distance from the crane. This crane-lofted system was safely erected and disassembled in a few hours, stood undisturbed for 34 days, and collected over 1500 separate profiles of 30-min averages. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Gouveia, FJ (reprint author), Lawrence Livermore Natl Lab, L-396,POB 808, Livermore, CA 94551 USA. EM gouveia2@llnl.gov NR 7 TC 4 Z9 4 U1 1 U2 2 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 0739-0572 J9 J ATMOS OCEAN TECH JI J. Atmos. Ocean. Technol. PD OCT PY 2007 VL 24 IS 10 BP 1750 EP 1756 DI 10.1175/JTECH2101.1 PG 7 WC Engineering, Ocean; Meteorology & Atmospheric Sciences SC Engineering; Meteorology & Atmospheric Sciences GA 218HG UT WOS:000250006000005 ER PT J AU Staples, CR Lahiri, S Raymond, J Von Herbulis, L Mukhophadhyay, B Blankenship, RE AF Staples, Christopher R. Lahiri, Surobhi Raymond, Jason Von Herbulis, Lindsay Mukhophadhyay, Biswarup Blankenship, Robert E. TI Expression and association of group IV nitrogenase NifD and NifH homologs in the non-nitrogen-fixing archaeon Methanocaldococcus jannaschii SO JOURNAL OF BACTERIOLOGY LA English DT Article ID IRON-MOLYBDENUM COFACTOR; COENZYME M REDUCTASE; AZOTOBACTER-VINELANDII; FEMO-COFACTOR; METHANOCOCCUS-JANNASCHII; CENTRAL LIGAND; MOFE-PROTEIN; CLOSTRIDIUM-PASTEURIANUM; P-CLUSTER; EVOLUTION AB Using genomic analysis, researchers previously identified genes coding for proteins homologous to the structural proteins of nitrogenase (J. Raymond, J. L. Siefert, C. R. Staples, and R. E. Blankenship, Mol. Biol. Evol. 21:541-554, 2004). The expression and association of NifD and NifH nitrogenase homologs (named NflD and NflH for "Nif-like" D and H, respectively) have been detected in a non -nitrogen -fixing hyperthermophilic methanogen, Methanocaldococcus jannaschii. These homologs are expressed constitutively and do not appear to be directly involved with nitrogen metabolism or detoxification of compounds such as cyanide or azide. The NflH and NflD proteins were found to interact with each other, as determined by bacterial two-hybrid studies. Upon immunoisolation, NflD and NflH copurified, along with three other proteins whose functions are as yet uncharacterized. The apparent presence of genes coding for NflH and NflD in all known methanogens, their constitutive expression, and their high sequence similarity to the NifH and NifD proteins or the BchL and BchN/BchB proteins suggest that NflH and NflD participate in an indispensable and fundamental function(s) in methanogens. C1 Washington Univ, Dept Biol, St Louis, MO 63130 USA. Washington Univ, Dept Chem, St Louis, MO 63130 USA. Arizona State Univ, Dept Chem & Biochem, Tempe, AZ 85287 USA. Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. Virginia Polytech Inst & State Univ, Virginia Bioinformat Inst, Blacksburg, VA 24061 USA. Virginia Polytech Inst & State Univ, Dept Biochem, Blacksburg, VA 24061 USA. Virginia Polytech Inst & State Univ, Dept Sci Biol, Blacksburg, VA 24061 USA. RP Blankenship, RE (reprint author), Washington Univ, Dept Biol, Campus Box 1137, St Louis, MO 63130 USA. EM Blankenship@wustl.edu NR 55 TC 28 Z9 28 U1 1 U2 8 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 J9 J BACTERIOL JI J. Bacteriol. PD OCT PY 2007 VL 189 IS 20 BP 7392 EP 7398 DI 10.1128/JB.00876-07 PG 7 WC Microbiology SC Microbiology GA 219QP UT WOS:000250100000027 PM 17660283 ER PT J AU Monchy, S Benotmane, MA Janssen, P Vallaeys, T Taghavi, S van der Lelie, D Mergeay, M AF Monchy, Sebastien Benotmane, Mohammed A. Janssen, Paul Vallaeys, Tatiana Taghavi, Safiyh van der Lelie, Daniel Mergeay, Max TI Plasmids pMOL28 and pMOL30 of Cupriavidus metallidurans are specialized in the maximal viable response to heavy metals SO JOURNAL OF BACTERIOLOGY LA English DT Article ID ALCALIGENES-EUTROPHUS CH34; ESCHERICHIA-COLI; RALSTONIA-METALLIDURANS; RESISTANCE DETERMINANT; STRAIN CH34; COPPER RESISTANCE; CNR COBALT; GENES; PROTEINS; PSEUDOMONAS AB We fully annotated two large plasmids, pMOL28 (164 open reading frames [ORFs]; 171,459 bp) and pMOL30 (247 ORFs; 233,720 bp), in the genome of Cupriavidus metallidurans CH34. pMOL28 contains a backbone of maintenance and transfer genes resembling those found in plasmid pSym of C. taiwanensis and plasmid pHG1 of C. eutrophus, suggesting that they belong to a new class of plasmids. Genes involved in resistance to the heavy metals Co(II), Cr(VI), Hg(H), and Ni(II) are concentrated in a 34-kb region on pMOL28, and genes involved in resistance to Ag(I), Cd(II), Co(II), Cu(II), Hg(II), Pb(II), and Zn(H) occur in a 132-kb region on pMOL30. We identified three putative genomic islands containing metal resistance operons flanked by mobile genetic elements, one on pMOL28 and two on pMOL30. Transcriptomic analysis using quantitative PCR and microarrays revealed metal-mediated up-regulation of 83 genes on pMOL28 and 143 genes on pMOL30 that coded for all known heavy metal resistance proteins, some new heavy metal resistance proteins (czcj, mmrQ, and pbrU), membrane proteins, truncated transposases, conjugative transfer proteins, and many unknown proteins. Five genes on each plasmid were down-regulated; for one of them, chrI localized on pMOL28, the down-regulation occurred in the presence of five cations. We observed multiple crossresponses (induction of specific metal resistance by other metals), suggesting that the cellular defense of C. metallidurans against heavy metal stress involves various regulons and probably has multiple stages, including a more general response and a more metal-specific response. C1 CEN SCK, Inst Hlth Environm & Safety, Ctr Studies Nucl Energy, B-2400 Mol, Belgium. Univ Libre Bruxelles, Serv Conformat Macromol Biol & Bioinformat, Brussels, Belgium. INRA, Dept Microbiol, F-78850 Thiverval Grignon, France. Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. RP Mergeay, M (reprint author), CEN SCK, Inst Hlth Environm & Safety, Ctr Studies Nucl Energy, Boeretang 200, B-2400 Mol, Belgium. EM mmergeay@sckcen.be RI Mergeay, Max/H-2003-2011 NR 44 TC 101 Z9 107 U1 2 U2 24 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 J9 J BACTERIOL JI J. Bacteriol. PD OCT PY 2007 VL 189 IS 20 BP 7417 EP 7425 DI 10.1128/JB.00375-07 PG 9 WC Microbiology SC Microbiology GA 219QP UT WOS:000250100000030 PM 17675385 ER PT J AU Zeng, XH Roh, JH Callister, SJ Tavano, CL Donohue, TJ Lipton, MS Kaplan, S AF Zeng, Xiaohua Roh, Jung Hyeob Callister, Stephen J. Tavano, Christine L. Donohue, Timothy J. Lipton, Mary S. Kaplan, Samuel TI Proteomic characterization of the Rhodobacter sphaeroides 2.4.1 photosynthetic membrane: Identification of new proteins SO JOURNAL OF BACTERIOLOGY LA English DT Article ID RHODOBACTER-SPHAEROIDES 2.4.1; CYTOCHROME BC(1) COMPLEX; CHROMATOPHORE VESICLES; SUPRAMOLECULAR ORGANIZATION; GENE-EXPRESSION; LIGHT-INTENSITY; APPARATUS; BACTERIA; ARCHITECTURE; CAPSULATUS AB The Rhodobacter sphaeroides intracytoplasmic membrane (ICM) is an inducible membrane that is dedicated to the major events of bacterial photosynthesis, including harvesting light energy, separating primary charges, and transporting electrons. In this study, multichromatographic methods coupled with Fourier transform ion cyclotron resonance mass spectrometry, combined with subcellular fractionation, was used to test the hypothesis that the photosynthetic membrane of R. sphaeroides 2.4.1 contains a significant number of heretofore unidentified proteins in addition to the integral membrane pigment-protein complexes, including light-harvesting complexes 1 and 2, the photochemical reaction center, and the cytochrome bc(1) complex described previously. Purified ICM vesicles are shown to be enriched in several abundant, newly identified membrane proteins, including a protein of unknown function (AffyChip designation RSP1760) and a possible alkane hydroxylase (RSP1467). When the genes encoding these proteins are mutated, specific photosynthetic phenotypes are noted, illustrating the potential new insights into solar energy utilization to be gained by this proteomic blueprint of the ICM. In addition, proteins necessary for other cellular functions, such as ATP synthesis, respiration, solute transport, protein translocation, and other physiological processes, were also identified to be in association with the ICM. This study is the first to provide a more global view of the protein composition of a photosynthetic membrane from any source. This protein blueprint also provides insights into potential mechanisms for the assembly of the pigment-protein complexes of the photosynthetic apparatus, the formation of the lipid bilayer that houses these integral membrane proteins, and the possible functional interactions of ICM proteins with activities that reside in domains outside this specialized bioenergetic membrane. C1 Univ Texas, Hlth Sci Ctr, Dept Microbiol & Mol Genet, Houston, TX 77030 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. Univ Wisconsin, Dept Bacteriol, Madison, WI 53706 USA. RP Kaplan, S (reprint author), Univ Texas, Hlth Sci Ctr, Dept Microbiol & Mol Genet, Houston, TX 77030 USA. EM Samuel.Kaplan@uth.tmc.edu OI Donohue, Timothy/0000-0001-8738-2467 FU NIGMS NIH HHS [GM15590, GM075273, GM43488, R01 GM015590, R01 GM075273, R01 GM075273-02] NR 32 TC 23 Z9 24 U1 2 U2 7 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 EI 1098-5530 J9 J BACTERIOL JI J. Bacteriol. PD OCT PY 2007 VL 189 IS 20 BP 7464 EP 7474 DI 10.1128/JB.00946-07 PG 11 WC Microbiology SC Microbiology GA 219QP UT WOS:000250100000035 PM 17704227 ER PT J AU Li, HL Grass, S Wang, T Liu, TB Geme, JWS AF Li, Huilin Grass, Susan Wang, Tao Liu, Tianbo Geme, Joseph W. St., III TI Structure of the Haemophilus influenzae HMW1B translocator protein: Evidence for a twin pore SO JOURNAL OF BACTERIOLOGY LA English DT Article ID PERTUSSIS FILAMENTOUS HEMAGGLUTININ; OUTER-MEMBRANE; 2-PARTNER SECRETION; 3-DIMENSIONAL STRUCTURE; CRYSTAL-STRUCTURE; ESCHERICHIA-COLI; USHER FORMS; CHANNEL; MITOCHONDRIA; COMPLEX AB Secretion of the Haemophilus influenzae HMW1 adhesin occurs via the two-partner secretion pathway and requires the HMW1B outer membrane translocator. HMWIB has been subjected to extensive biochemical studies to date. However, direct examination of the structure of HMW1B has been lacking, leaving fundamental questions about the oligomeric state, the membrane-embedded beta-barrel domain, the approximate size of the P-barrel pore, and the mechanism of translocator activity. In the current study, examination of purified HMWIB by size exclusion chromatography and negative staining electron microscopy revealed that the predominant species was a dimer. In the presence of lipid, purified HMW1B formed two-dimensional crystalline sheets. Examination of these crystals by cryo-electron microscopy allowed determination of a projection structure of HMW1B to 10 angstrom resolution. The native HMW1B structure is a dimer of beta-barrels, with each beta-barrel measuring 40 angstrom by 50 angstrom in the two orthogonal directions and appearing largely occluded, leaving only a narrow pore. These observations suggest that HMW1B undergoes a large conformational change during translocation of the 125-kDa HMW1 adhesin. C1 Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. Duke Univ, Med Ctr, Child Hlth Ctr T901, Dept Pediat, Durham, NC 27710 USA. Duke Univ, Med Ctr, Child Hlth Ctr T901, Dept Mol Genet, Durham, NC 27710 USA. Lehigh Univ, Dept Chem, Bethlehem, PA 18015 USA. RP Geme, JWS (reprint author), Brookhaven Natl Lab, Dept Biol, Upton, NY 11973 USA. EM j.stgeme@duke.edu RI li, lianbo/H-1152-2011; Liu, Tianbo/D-8915-2017 OI Liu, Tianbo/0000-0002-8181-1790 FU NIDCD NIH HHS [DC02873, R01 DC002873]; NIGMS NIH HHS [R01 GM074985, R01 GM062987, GM75985] NR 31 TC 11 Z9 12 U1 0 U2 1 PU AMER SOC MICROBIOLOGY PI WASHINGTON PA 1752 N ST NW, WASHINGTON, DC 20036-2904 USA SN 0021-9193 J9 J BACTERIOL JI J. Bacteriol. PD OCT PY 2007 VL 189 IS 20 BP 7497 EP 7502 DI 10.1128/JB.00541-07 PG 6 WC Microbiology SC Microbiology GA 219QP UT WOS:000250100000038 PM 17693509 ER PT J AU Stockman, HW AF Stockman, Harlan W. TI Effect of anatomical fine structure on the dispersion of solutes in the spinal subarachnoid space SO JOURNAL OF BIOMECHANICAL ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article ID CEREBROSPINAL-FLUID; LATTICE-BOLTZMANN; FLOW; ANESTHESIA; MODELS; SIMULATION; FRACTURES; INJECTION; DIFFUSION; EQUATION AB The dispersion of a solute bolus is calculated for cerebrospinal fluid undergoing oscillatory flow in the subarachnoid space of the spine. The fine structure of the subarachnoid space (nerves and trabeculae) enhances both longitudinal and transverse dispersions five to ten times over a simple model with an open annular space. Overall, dispersion is > 10(3) times simple molecular diffusion. The result of enhanced dispersion is rapid spread and dilution of the bolus, effectively stirred by fluid movement around the fine structure. C1 Sandia Natl Labs, Dept 6118, Albuquerque, NM 87185 USA. RP Stockman, HW (reprint author), Sandia Natl Labs, Dept 6118, POB 5800, Albuquerque, NM 87185 USA. NR 28 TC 10 Z9 10 U1 1 U2 5 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0148-0731 J9 J BIOMECH ENG-T ASME JI J. Biomech. Eng.-Trans. ASME PD OCT PY 2007 VL 129 IS 5 BP 666 EP 675 DI 10.1115/1.2768112 PG 10 WC Biophysics; Engineering, Biomedical SC Biophysics; Engineering GA 221SN UT WOS:000250247700006 PM 17887892 ER PT J AU Rodi, DJ Mandava, S Gore, DB Makowski, L Fischetti, RF AF Rodi, Diane J. Mandava, Suneeta Gore, David B. Makowski, Lee Fischetti, Robert F. TI Detection of functional ligand-binding events using synchrotron x-ray scattering SO JOURNAL OF BIOMOLECULAR SCREENING LA English DT Article DE ligand binding; wide-angle x-ray scattering ID INDUCED CONFORMATIONAL-CHANGES; LYSOZYME AB Small-molecule ligands that change the structure of a protein are likely to affect its function, whereas those causing no structural change are less likely to be functional. Wide-angle x-ray scattering (WAXS) can be easily carried out on proteins and small molecules in solution in the absence of chemical tags or derivatives. The authors demonstrate that WAXS is a sensitive probe of ligand binding to proteins in solution and can distinguish between nonfunctional and productive binding. Furthermore, similar ligand-binding modes translate into similar scattering patterns. This approach has high potential as a novel, generic, low-throughput assay for functional ligand binding. C1 Argonne Natl Lab, Div Biosci, Argonne, IL 60439 USA. IIT, BCPS, BioCAT, CSRRI, Chicago, IL USA. Argonne Natl Lab, Adv Photon Source, GM CA CAT, Argonne, IL 60439 USA. RP Rodi, DJ (reprint author), Argonne Natl Lab, Div Biosci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM drodi@an1.uov RI ID, BioCAT/D-2459-2012 FU NCRR NIH HHS [RR-08630] NR 13 TC 9 Z9 10 U1 0 U2 1 PU SAGE PUBLICATIONS INC PI THOUSAND OAKS PA 2455 TELLER RD, THOUSAND OAKS, CA 91320 USA SN 1087-0571 J9 J BIOMOL SCREEN JI J. Biomol. Screen PD OCT PY 2007 VL 12 IS 7 BP 994 EP 998 DI 10.1177/1087057107306104 PG 5 WC Biochemical Research Methods; Biotechnology & Applied Microbiology; Chemistry, Analytical SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology; Chemistry GA 221LH UT WOS:000250228300009 PM 17942792 ER PT J AU Denk, E Hillegonds, D Hurrell, RF Vogel, J Fattinger, K Hauselmann, HJ Kraenzlin, M Walczyk, T AF Denk, Eberhard Hillegonds, Darren Hurrell, Richard F. Vogel, John Fattinger, Karin Hauselmann, Hans J. Kraenzlin, Marius Walczyk, Thomas TI Evaluation of (41)calcium as a new approach to assess changes in bone metabolism: Effect of a bisphosphonate intervention in postmenopausal women with low bone mass SO JOURNAL OF BONE AND MINERAL RESEARCH LA English DT Article DE (41)Ca; bisphosphonate; biomarkers; BMD; calcium kinetics ID CALCIUM-METABOLISM; BIOCHEMICAL MARKERS; CA-41; OSTEOPOROSIS; RISEDRONATE; SERUM; RESORPTION; TOLERABILITY; PRECISION; TURNOVER AB Introduction: Isotopic labeling of bone using (41)Ca, a long-living radiotracer, has been proposed as an alternative approach for measuring changes in bone metabolism to overcome current limitations of available techniques. After isotopic labeling of bone, changes in urinary (41)Ca excretion reflect changes in bone Ca balance. The aim of this study was to validate this new technique against established measures. Changes in bone Ca balance were induced by giving a bisphosphonate. Materials and Methods: Six postmenopausal women with diagnosed osteopenia/osteoporosis received a single oral dose of 100 nCi (41)Ca for skeleton labeling. Urinary (41)Ca/(40)Ca isotope ratios were monitored by accelerator mass spectrometry up to 700 days after the labeling process. Subjects received 35 mg risedronate per week for 6 mo. Effect of treatment was monitored using the (41)Ca signal in urine and parallel measurements of BMD by DXA and biochemical markers of bone metabolism in urine and blood. Results: Positive response to treatment was confirmed by BMD measurements, which increased for spine by +3.0% (p = 0.01) but not for hip. Bone formation markers decreased by -36% for bone alkaline phosphatase (BALP; p = 0.002) and -59% for procollagen type I propeptides (PINP; p = 0.001). Urinary deoxypyridinoline (DPD) and pyridinoline (PYD) were reduced by -21% (p = 0.019) and -23% (p = 0.009), respectively, whereas serum and urinary carboxy-terminal teleopeptides (CTXs) were reduced by -60% (p = 0.001) and -57.0% (p = 0.001), respectively. Changes in urinary (41)Ca excretion paralleled findings for conventional techniques. The urinary (41)Ca/(40)Ca isotope ratio was shifted by -47 +/- 10% by the intervention. Population pharmacokinetic analysis (NONMEM) of the (41)Ca data using a linear three-compartment model showed that bisphosphonate treatment reduced Ca transfer rates between the slowly exchanging compartment (bone) and the intermediate fast exchanging compartment by 56% (95% CI: 45-58%). Conclusions: Isotopic labeling of bone using (41)Ca can facilitate human trials in bone research by shortening of intervention periods, lowering subject numbers, and having easier conduct of cross-over studies compared with conventional techniques. C1 ETH, Inst Food Sci & Nutr, Human Nutr Lab, Zurich, Switzerland. Lawrence Livermore Natl Lab, Ctr Accelerator Mass Spectrometry, Livermore, CA 94550 USA. Univ Hosp Bern, Inselspital, Dept Gen Internal Med, CH-3010 Bern, Switzerland. Klin Pk, Ctr Rheumatol & Bone Dis, Zurich, Switzerland. Univ Basel Hosp, Dept Med, Div Endocrinol Diabet & Clin Nutr, CH-4031 Basel, Switzerland. RP Walczyk, T (reprint author), Natl Univ Singapore, Yong Loo Lin Sch Med, Fac Sci, Dept Chem,Dept Biochem, 3 Sci Dr, Singapore 117543, Singapore. EM walczyk@nus.edu.sg RI Fattinger, Karin/D-4992-2012 NR 33 TC 26 Z9 26 U1 2 U2 5 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0884-0431 J9 J BONE MINER RES JI J. Bone Miner. Res. PD OCT PY 2007 VL 22 IS 10 BP 1518 EP 1525 DI 10.1359/JBMR.070617 PG 8 WC Endocrinology & Metabolism SC Endocrinology & Metabolism GA 219KC UT WOS:000250082500005 PM 17576167 ER PT J AU Kwak, JH Hu, JZ Kim, DH Szanyi, J Peden, CHF AF Kwak, Ja Hun Hu, Jian Zhi Kim, Do Heui Szanyi, Janos Peden, Charles H. F. TI Penta-coordinated Al3+ ions as preferential nucleation sites for BaO on gamma-Al2O3: An ultra-high-magnetic field Al-27 MAS NMR study SO JOURNAL OF CATALYSIS LA English DT Article DE BaO; Al2O3; Al-27 MAS NMR; T-1 relaxation times ID GAMMA-ALUMINA SURFACES; ANGLE-SPINNING NMR; TRANSITION ALUMINAS; H-USY; SPECTROSCOPY; COORDINATION; ADSORPTION; BAO/AL2O3; IR AB We report the first observation of preferential anchoring of an impregnated catalytic phase onto penta-coordinated Al3+ sites on the surface of gamma-Al2O3. The interaction of barium oxide with a gamma-alumina support was investigated by high resolution solid state Al-27 magic angle spinning NMR at an ultra-high magnetic field of 21.1 T and at sample spinning rates of up to 23 kHz. Under these experimental conditions, a peak in the NMR spectrum at similar to 23 ppm with relatively low intensity, assigned to 5-coordinated Al3+ ions, is clearly distinguished from the two other peaks representing Al3+ ions in tetra-, and octahedral coordination. Spin-lattice Al-27 relaxation time measurements clearly show that these penta-coordinated Al3+ sites are located on the surface of the gamma-alumina support. BaO deposition onto this gamma-alumina sample resulted in the loss of intensity of the 23 ppm peak. The intensity loss observed was linearly proportional to the amount of BaO deposited. The results of this study strongly suggest that, at least for BaO, these penta-coordinated Al3+ ions are the nucleation sites. (c) 2007 Elsevier Inc. All rights reserved. C1 Pacific NW Natl Lab, Inst Interfacial Catalysis, Richland, WA 99352 USA. RP Peden, CHF (reprint author), Pacific NW Natl Lab, Inst Interfacial Catalysis, POB 999,MS K8-93, Richland, WA 99352 USA. EM chuck.peden@pnl.gov RI Hu, Jian Zhi/F-7126-2012; Kwak, Ja Hun/J-4894-2014; Kim, Do Heui/I-3727-2015; OI Peden, Charles/0000-0001-6754-9928 NR 29 TC 86 Z9 87 U1 7 U2 49 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9517 J9 J CATAL JI J. Catal. PD OCT 1 PY 2007 VL 251 IS 1 BP 189 EP 194 DI 10.1016/j.jcat.2007.06.029 PG 6 WC Chemistry, Physical; Engineering, Chemical SC Chemistry; Engineering GA 218KZ UT WOS:000250015700020 ER PT J AU Asani, EM Khrustalev, VN Williamson, RM Martinez, RA Unkefer, CJ Timofeeva, TV AF Asani, Ernest M. Khrustalev, Victor N. Williamson, Rachel M. Martinez, Rodolfo A. Unkefer, Clifford J. Timofeeva, Tatiana V. TI Stereoselective synthesis and x-ray structure determination of labeled [1,2,3-C-13(3)]-1-(Phenylsulfinyl)-3-Benzyloxyacetone SO JOURNAL OF CHEMICAL CRYSTALLOGRAPHY LA English DT Article DE [1,2,3-C-13(3)]-l-(Phenylsulfinyl)3; benzyloxyacetone; chiral sulfur; synthesis; Molecular and crystal structures ID SULFOXIDE DIRECTED REDUCTION; BETA-KETO SULFOXIDES; ASYMMETRIC-SYNTHESIS; ENANTIOSELECTIVE SYNTHESIS; BIOSYNTHETIC ORIGIN; NATURAL-PRODUCTS; METHYL SULFOXIDE; ANTI 1,2-DIOLS; CONFIGURATION; SYN AB [1,2,3-C-13(3)]-1-(Phenylsulfinyl)-3-benzyloxyacetone, C16H16O3S, (3) has been synthesized and its crystal structure has been determined by a single-crystal X-ray diffraction analysis. The X-ray diffraction study revealed that compound 3 crystallizes in the monoclinic crystal system in the acentric space group Pc, with cell constants at T = 100 K: a = 16.073(5), b = 5.5079(16), c = 7.949(2) angstrom, beta = 100.221(4)degrees, V = 692.6(3) angstrom(3), Z = 2, d(calc) = 1.383 g/cm(3). Compound 3 contains the chiral tetravalent three-coordinated sulfur atom, which has a distorted tetrahedral configuration with a lone electron pair occupying one of the tetrahedron vertices. In the crystal, the molecules are packed in stacks along the b axis; the stacks consist of the molecules of the same chirality. Furthermore, the stacks of the molecules of the opposite chirality alternate along the c axis. The molecules in neighboring stacks are arranged by head-to-tail orientations. There are no short intermolecular contacts in the crystal of 3. C1 New Mexico Highlands Univ, Dept Nat Sci, Las Vegas, NM 87701 USA. Russian Acad Sci, Inst Organoelement Cpds, Moscow 119991, Russia. Biosci Div, Los Alamos Natl Lab, Natl Isotope Resource, Los Alamos, NM 87701 USA. RP Timofeeva, TV (reprint author), New Mexico Highlands Univ, Dept Nat Sci, Las Vegas, NM 87701 USA. EM tvtimofeeva@nmhu.edu RI G, Neela/H-3016-2014 NR 25 TC 0 Z9 0 U1 0 U2 0 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1074-1542 J9 J CHEM CRYSTALLOGR JI J. Chem. Crystallogr. PD OCT PY 2007 VL 37 IS 10 BP 663 EP 667 DI 10.1007/s10870-007-9226-5 PG 5 WC Crystallography; Spectroscopy SC Crystallography; Spectroscopy GA 210HE UT WOS:000249446500003 ER PT J AU Burley, JD Johnston, HS AF Burley, Joel D. Johnston, Harold S. TI A simple calorimetric experiment that highlights aspects of global heat retention and global warming SO JOURNAL OF CHEMICAL EDUCATION LA English DT Article C1 St Marys Coll, Dept Chem, Moraga, CA 94575 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Chem, Div Chem Sci, Berkeley, CA 94720 USA. RP Burley, JD (reprint author), St Marys Coll, Dept Chem, Moraga, CA 94575 USA. EM jburley@stmarys-ca.edu; hsj@berkeley.edu NR 10 TC 2 Z9 2 U1 0 U2 4 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0021-9584 J9 J CHEM EDUC JI J. Chem. Educ. PD OCT PY 2007 VL 84 IS 10 BP 1686 EP 1688 PG 3 WC Chemistry, Multidisciplinary; Education, Scientific Disciplines SC Chemistry; Education & Educational Research GA 210VL UT WOS:000249483600044 ER PT J AU Xu, Y Axe, L Boonfueng, T Tyson, TA Trivedi, P Pandya, K AF Xu, Ying Axe, Lisa Boonfueng, Thipnakarin Tyson, Trevor A. Trivedi, Paras Pandya, Kaumudi TI Ni(II) complexation to amorphous hydrous ferric oxide: An X-ray absorption spectroscopy study SO JOURNAL OF COLLOID AND INTERFACE SCIENCE LA English DT Article DE nickel; adsorption; hydrous ferric oxide; amorphous oxide; EXAFS ID FINE-STRUCTURE SPECTROSCOPY; CRYSTALLINE IRON-OXIDES; SURFACE COMPLEXATION; ALKALINE MEDIA; POLYHEDRAL APPROACH; AQUEOUS-SOLUTIONS; HUMIC-ACID; SORPTION; NI; GOETHITE AB Ni(II) sorption onto iron oxides and in particular hydrous ferric oxide (HFO) is among the important processes impacting its distribution, mobility, and bioavailability in environment. To develop mechanistic models for Ni, extended X-ray absorption fine structure (EXAFS) analysis has been conducted on Ni(II) sorbed to HFO. Coprecipitation revealed the formation of the metastable alpha-Ni(OH)(2) at a Ni(II) loading of 3.5 x 10(-3) mol g(-1). On the other hand, Ni(II) formed inner-sphere mononuclear bidentate complexes along edges of FeO6 octahedra when sorbed to HFO surfaces with Ni-O distances of 2.05-2.07 angstrom and Ni-Fe distances of 3.07-3.11 angstrom. This surface complex was observed by EXAFS study over 2.8 x 10(-3) to 10(-1) ionic strength, pH from 6 to 7, a Ni(II) loading of 8 x 10(-4) to 8.1 x 10(-3) mol g(-1) HFO, and reaction times from 4 hours to 8 months. The short- and long-range structure analyses suggest that the presence of Ni(II) inhibited transformation of the amorphous iron oxide into a more crystalline form. However, Ni2+ was not observed to substitute for Fe3+ in the oxide structure. This study systematically addresses Ni(II) adsorption mechanisms to amorphous iron oxide. The experimentally defined surface complexes can be used to constrain surface complexation modeling for improved prediction of metal distribution at the iron oxide/aqueous interface. (c) 2007 Elsevier Inc. All rights reserved. C1 New Jersey Inst Technol, Dept Civil & Environm Engn, Newark, NJ 07102 USA. ConocoPhilips Co, Ponca City, OK 74602 USA. New Jersey Inst Technol, Dept Phys, Newark, NJ 07102 USA. Bowdoin Coll, Dept Chem, Brunswick, ME 04011 USA. Brookhaven Natl Lab, Natl Synchrotron Light Source Dept, NRL SRC, Upton, NY 11026 USA. RP Axe, L (reprint author), New Jersey Inst Technol, Dept Civil & Environm Engn, Newark, NJ 07102 USA. EM axe@adm.njit.edu NR 55 TC 32 Z9 33 U1 0 U2 28 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9797 J9 J COLLOID INTERF SCI JI J. Colloid Interface Sci. PD OCT 1 PY 2007 VL 314 IS 1 BP 10 EP 17 DI 10.1016/j.jcis.2007.05.037 PG 8 WC Chemistry, Physical SC Chemistry GA 200XC UT WOS:000248795100002 PM 17561066 ER PT J AU Sovinsky, MC Hurtado, JE Griffith, DT Turner, JD AF Sovinsky, Michael C. Hurtado, John E. Griffith, D. Todd Turner, James D. TI The Hamel Representation: A Diagonalized Poincare Form SO JOURNAL OF COMPUTATIONAL AND NONLINEAR DYNAMICS LA English DT Article ID EQUATIONS; DYNAMICS; MOTION AB The Poincare equations, also known as Lagrange's equations in quasicoordinates, are revisited with special attention focused on a diagonal form. The diagonal form stems from a special choice of generalized speeds that were first introduced by Hamel (Hamel, G., 1967, Theoretische Mechanik, Springer-Verlag, Berlin, Secs. 235 aid 236) nearly a century ago. The form has been largely ignored because the generalized speeds create so-called Hamel coefficients that appear in the governing equations and are based on the partial derivative of a mass-matrix factorization. Consequently, closed-form expressions for the Hamel coefficients can be difficult to obtain. In this paper, a newly developed operator overloading technique is used within a simulation code to automatically generate the Hamel coefficients through an exact partial differentiation together with a numerical evaluation. This allows the diagonal form of Poincare's equations to be numerically integrated for system simulation. The diagonal form and the techniques used to generate the Hamel coefficients are applicable to general systems, including systems with closed kinematic chains. Because of Hamel's original influence, these special Poincare equations are called the Hamel representations and their usefulness in dynamic simulation and control is investigated. C1 [Sovinsky, Michael C.; Hurtado, John E.] Texas A&M Univ, Dept Aerosp Engn, College Stn, TX 77843 USA. [Griffith, D. Todd] Sandia Natl Labs, Struct Dynam Res Dept, Albuquerque, NM 87185 USA. [Turner, James D.] Dynacs Mil & Def, Houston, TX 77058 USA. RP Sovinsky, MC (reprint author), Texas A&M Univ, Dept Aerosp Engn, 3141 TAMU, College Stn, TX 77843 USA. RI Hurtado, John/F-8280-2011; Griffith, Daniel/C-2807-2014 OI Griffith, Daniel/0000-0002-7767-3700 NR 21 TC 2 Z9 2 U1 1 U2 6 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 1555-1423 J9 J COMPUT NONLIN DYN JI J. Comput. Nonlinear Dyn. PD OCT PY 2007 VL 2 IS 4 BP 316 EP 323 DI 10.1115/1.2756062 PG 8 WC Engineering, Mechanical; Mechanics SC Engineering; Mechanics GA 358QI UT WOS:000259932200005 ER PT J AU Knoll, DA Lowrie, RB Morel, JE AF Knoll, D. A. Lowrie, R. B. Morel, J. E. TI Numerical analysis of time integration errors for nonequilibrium radiation diffusion SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE radiation diffusion; asymptotic analysis; modified equation analysis ID FLUX-LIMITED DIFFUSION; ASYMPTOTIC SOLUTIONS; TRANSPORT PROBLEMS; TEMPORAL ACCURACY; OPTICALLY THICK; EQUATIONS; RELAXATION; REGIMES; SYSTEMS AB Numerical analysis of time integration errors for nonequilibrium radiation diffusion is considered. Two first-order implicit time integration methods are studied. Asymptotic analysis and modified equation analysis are applied to both time integration methods. Numerical experiments are used to highlight the results of the analysis. Asymptotic analysis is used to highlight the source of temperature spiking when a hot radiation wave propagates into a cold material. Modified equation analysis is used to provide insight into the thermal wave speed coming from the two different first-order methods. (c) 2007 Elsevier Inc. All rights reserved. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Texas A&M Univ, College Stn, TX 77843 USA. RP Knoll, DA (reprint author), Idaho Natl Lab, Idaho Falls, ID USA. EM Dana.Knoll@inl.gov OI Lowrie, Robert/0000-0001-5537-9183 NR 21 TC 10 Z9 12 U1 0 U2 2 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 OCT 1 PY 2007 VL 226 IS 2 BP 1332 EP 1347 DI 10.1016/j.jcp.2007.05.034 PG 16 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 221EH UT WOS:000250209700008 ER PT J AU Samulyak, R Du, H Ghmm, J Xu, ZL AF Samulyak, Roman Du, Han Ghmm, James Xu, Zhiliang TI A numerical algorithm for MHD of free surface flows at low magnetic Reynolds numbers SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE magnetohydrodynainics; free surface flows; front tracking; embedded boundary ID EMBEDDED BOUNDARY METHOD; TAYLOR MIXING RATES; LIQUID-METAL; INTERFACE TRACKING; POISSONS-EQUATION; HYDROGEN PELLET; FRONT TRACKING; 3 DIMENSIONS; SIMULATION; CAVITATION AB We have developed a numerical algorithm and computational software for the study of magnetohydrodynamics (MHD) of free surface flows at low magnetic Reynolds numbers. The governing system of equations is a coupled hyperbolic-elliptic system in moving and geometrically complex domains. The numerical algorithm employs the method of front tracking and the Riemann problem for material interfaces, second order Godunov-type hyperbolic solvers, and the embedded boundary method for the elliptic problem in complex domains. The numerical algorithm has been implemented as an MHD extension of FronTier, a hydrodynamic code with free interface support. The code is applicable for numerical simulations of free surface flows of conductive liquids or weakly ionized plasmas. The code has been validated through the comparison of numerical simulations of a liquid metal jet in a non-uniform magnetic field with experiments and theory. Simulations of the Muon Collider/Neutrino Factory target have also been discussed. (c) 2007 Elsevier Inc. All rights reserved. C1 Brookhaven Natl Lab, Computat Sci Ctr, Upton, NY 11973 USA. SUNY Stony Brook, Dept Appl Math & Stat, Stony Brook, NY 11794 USA. RP Samulyak, R (reprint author), Brookhaven Natl Lab, Computat Sci Ctr, Upton, NY 11973 USA. EM rosamu@bnl.gov RI Du, Jian/C-5448-2011; Xu, Zhiliang/O-1718-2014 NR 29 TC 16 Z9 17 U1 0 U2 4 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0021-9991 EI 1090-2716 J9 J COMPUT PHYS JI J. Comput. Phys. PD OCT 1 PY 2007 VL 226 IS 2 BP 1532 EP 1549 DI 10.1016/j.jcp.2007.06.005 PG 18 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 221EH UT WOS:000250209700018 ER PT J AU Haque, A Dilts, GA AF Haque, Aamer Dilts, Gary A. TI Three-dimensional boundary detection for particle methods SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE particle methods; meshless methods; meshfree methods; smooth particle hydrodynamics; computational geometry ID HYDRODYNAMICS AB The three-dimensional exposure method for the detection of the boundary of a set of overlapping spheres is presented. Like the two-dimensional version described in a previous paper, the three-dimensional algorithm precisely detects void opening or closure, and is optimally suited to the kernel-mediated interactions of smoothed-particle hydrodynamics, although it may be used in any application involving sets of overlapping spheres. The principle idea is to apply the two-dimensional method, on the surface of each candidate boundary sphere, to the circles of intersection with neighboring spheres. As the algorithm finds the exact solution, the quality of detection is independent of particle configuration, in contrast to gradient-based techniques. The observed CPU execution times scale as O(MN is an element of), where M is the number of particles, N is the average number of neighbors of a particle, and c is a problem-dependent constant between 1.6 and 1.7. The time required per particle is comparable to the amount of time required to evaluate a three-dimensional linear moving-least-squares interpolant at a single point. (c) 2007 Elsevier Inc. All rights reserved. C1 Univ Chicago, ASCI Alliances Ctr Astrophys Thermonucl Flashes, Chicago, IL 60637 USA. Los Alamos Natl Lab, Los Alamos, NM 87544 USA. RP Haque, A (reprint author), Univ Chicago, ASCI Alliances Ctr Astrophys Thermonucl Flashes, RI-464, Chicago, IL 60637 USA. EM ahaque@flash.uchicago.edu; gad@lanl.gov NR 8 TC 8 Z9 8 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 0021-9991 J9 J COMPUT PHYS JI J. Comput. Phys. PD OCT 1 PY 2007 VL 226 IS 2 BP 1710 EP 1730 DI 10.1016/j.jcp.2007.06.012 PG 21 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 221EH UT WOS:000250209700026 ER PT J AU Masters, ND Ye, WJ AF Masters, Nathan D. Ye, Wenjing TI Octant flux splitting information preservation DSMC method for thermally driven flows SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article DE rarefied gas; thermally driven flow; thermal transpiration; DSMC; information preserving methods ID MONTE-CARLO METHOD; MOLECULAR BLOCK MODEL; RAREFIED-GAS FLOWS; SIMULATION; PUMP AB We present the octant flux splitting DSMC method as an efficient method for simulating non-equilibrium flows of rarefied gas, particularly those arising from thermal loading. We discuss the current state-of-the-art flux splitting IP-DSMC technique and show that it fails to capture the shear stresses created by thermal gradients. We present the development of the octant flux splitting IP-DSMC as well as degenerate 2D, 1D, and 0D forms and apply the method to a number of problems including thermal transpiration, with satisfactory results. (c) 2007 Elsevier Inc. All rights reserved. C1 Hong Kong Univ Sci & Technol, Dept Mech Engn, Kawloon, Hong Kong, Peoples R China. Lawrence Livermore Natl Lab, Livermore, CA USA. Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. RP Ye, WJ (reprint author), Hong Kong Univ Sci & Technol, Dept Mech Engn, Kawloon, Hong Kong, Peoples R China. EM mewye@ust.hk NR 30 TC 27 Z9 30 U1 0 U2 3 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 OCT 1 PY 2007 VL 226 IS 2 BP 2044 EP 2062 DI 10.1016/j.jcp.2007.06.027 PG 19 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 221EH UT WOS:000250209700043 ER PT J AU Jardin, SC Breslau, J Ferraro, N AF Jardin, S. C. Breslau, J. Ferraro, N. TI A high-order implicit finite element method for integrating the two-fluid magnetohydrodynamic equations in two dimensions SO JOURNAL OF COMPUTATIONAL PHYSICS LA English DT Article ID MAGNETIC RECONNECTION; SIMULATION; MODELS; SOLVER AB We describe a new method for solving the time-dependent two-fluid magnetohydrodynamic (2F-MHD) equations in two dimensions that has significant advantages over other methods. The stream-function/potential representation of the velocity and magnetic field vectors, while fully general, allows accurate description of nearly incompressible fluid motions and manifestly satisfies the divergence condition on the magnetic field. Through analytic manipulation, the split semi-implicit method breaks the full matrix time advance into four sequential time advances, each involving smaller matrices. The use of a high-order triangular element with continuous first derivatives (C-1 continuity) allows the Galerkin method to be applied without introduction of new auxiliary variables (such as the vorticity or the current density). These features, along with the manifestly compact nature of the fully node-based C-1 finite elements, lead to minimum size matrices for an unconditionally stable method with order of accuracy h(4). The resulting matrices are compatible with direct factorization using SuperLU_dist. We demonstrate the accuracy of the method by presenting examples of two-fluid linear wave propagation, two-fluid linear eigenmodes of a tilting cylinder, and of a challenging nonlinear problem in two-fluid magnetic reconnection. (c) 2007 Elsevier Inc. All rights reserved. C1 Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. RP Jardin, SC (reprint author), Princeton Univ, Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM jardin@pppl.gov RI Jardin, Stephen/E-9392-2010; OI Ferraro, Nathaniel/0000-0002-6348-7827 NR 22 TC 27 Z9 27 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 OCT 1 PY 2007 VL 226 IS 2 BP 2146 EP 2174 DI 10.1016/j.jcp.2007.07.003 PG 29 WC Computer Science, Interdisciplinary Applications; Physics, Mathematical SC Computer Science; Physics GA 221EH UT WOS:000250209700048 ER PT J AU Schwartz, AJ Wolfer, WG AF Schwartz, Adam J. Wolfer, Wilhelm G. TI Toward a deeper understanding of plutonium - Preface SO JOURNAL OF COMPUTER-AIDED MATERIALS DESIGN LA English DT Editorial Material C1 Lawrence Livermore Natl Lab, Phys & Adv Technol Directorat, Livermore, CA 94550 USA. RP Schwartz, AJ (reprint author), Lawrence Livermore Natl Lab, Phys & Adv Technol Directorat, L-041, Livermore, CA 94550 USA. EM schwartz6@mail.llnl.gov NR 0 TC 0 Z9 0 U1 0 U2 2 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0928-1045 J9 J COMPUT-AIDED MATER JI J. Comput-Aided Mater. Des. PD OCT PY 2007 VL 14 IS 3 BP 329 EP 330 DI 10.1007/s10820-007-9059-8 PG 2 WC Computer Science, Interdisciplinary Applications; Materials Science, Multidisciplinary SC Computer Science; Materials Science GA 220CC UT WOS:000250133500002 ER PT J AU Schwartz, AJ Wolfer, WG AF Schwartz, Adam J. Wolfer, Wilhelm G. TI Introduction to modeling and simulations of plutonium aging SO JOURNAL OF COMPUTER-AIDED MATERIALS DESIGN LA English DT Article DE plutonium; plutonium aging; actinides; modeling; simulation ID X-RAY-SCATTERING; PU C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Schwartz, AJ (reprint author), Lawrence Livermore Natl Lab, 7000 E Ave, Livermore, CA 94550 USA. EM schwartz6@mail.llnl.gov NR 19 TC 2 Z9 2 U1 4 U2 9 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0928-1045 J9 J COMPUT-AIDED MATER JI J. Comput-Aided Mater. Des. PD OCT PY 2007 VL 14 IS 3 BP 331 EP 335 DI 10.1007/s10820-007-9055-z PG 5 WC Computer Science, Interdisciplinary Applications; Materials Science, Multidisciplinary SC Computer Science; Materials Science GA 220CC UT WOS:000250133500003 ER PT J AU Yang, LH Hood, RQ Pask, JE Klepeis, JE AF Yang, L. H. Hood, Randolph Q. Pask, J. E. Klepeis, J. E. TI Large-scale quantum mechanical simulations of high-Z metals SO JOURNAL OF COMPUTER-AIDED MATERIALS DESIGN LA English DT Article ID ELECTRONIC-STRUCTURE CALCULATIONS; PSEUDOPOTENTIALS; TEMPERATURES; URANIUM; MATTER AB High-Z metals constitute a particular challenge for large-scale ab initio electronic-structure calculations, as they require high resolution due to the presence of strongly localized states and require many eigenstates to be computed due to the large number of electrons and need to accurately resolve the Fermi surface. Here, we report recent findings on high-Z metals, using an efficient massively parallel planewave implementation on some of the largest computational architectures currently available. We discuss the particular architectures employed and methodological advances required to harness them effectively. We present a pair-correlation function for U, calculated using quantum molecular dynamics, and discuss relaxations of Pu atoms in the vicinity of defects in aged and alloyed Pu. We find that the self-irradiation associated with aging has a negligible effect on the compressibility of Pu relative to other factors such as alloying. C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Yang, LH (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM yang1@llnl.gov NR 36 TC 4 Z9 4 U1 1 U2 3 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0928-1045 J9 J COMPUT-AIDED MATER JI J. Comput-Aided Mater. Des. PD OCT PY 2007 VL 14 IS 3 BP 337 EP 347 DI 10.1007/s10820-007-9053-1 PG 11 WC Computer Science, Interdisciplinary Applications; Materials Science, Multidisciplinary SC Computer Science; Materials Science GA 220CC UT WOS:000250133500004 ER PT J AU Soderlind, P Landa, A Wolfer, WG AF Soderlind, Per Landa, Alex Wolfer, Wilhelm G. TI Atomic-volume variations of alpha-Pu alloyed with Al, Ga, and Am from first-principles theory SO JOURNAL OF COMPUTER-AIDED MATERIALS DESIGN LA English DT Article DE actinide alloys and compounds; crystal structure; computer simulations ID DELTA-PU; PLUTONIUM; STABILITY AB First-principles methods are employed to calculate the ground-state atomic densities (or volumes) of alpha-Pu alloyed with Al, Ga, and Am. Three configurations for the alloying atom are considered. (i) It is located at the most open and energetically most favorably site. (ii) It is located at the least open site. (iii) It is randomly distributed within the alpha-Pu matrix. When alloyed with Al or Ga, alpha-Pu behaves similarly, it expands considerably for configurations (ii) and (iii), while for (i) only small changes of the density occur. Interestingly, for Am, the alloying effects are quite different from that of Al and Ga. Small expansion is noted for the ordered configurations (i) and (ii), whereas for the disordered (iii), only insignificant changes of the density take place. The bonding character is thus differently influenced in Pu by the addition of Al and Ga on one hand and Am on the other. This is consistent with the view that Al and Ga stabilize the delta over the alpha phase in Pu by a different mechanism than Am, as has been discussed in recent publications. C1 Lawrence Livermore Natl Lab, Phys & Adv Technol Directorate, Livermore, CA 94550 USA. RP Soderlind, P (reprint author), Lawrence Livermore Natl Lab, Phys & Adv Technol Directorate, POB 808, Livermore, CA 94550 USA. EM soderlind1@llnl.gov NR 16 TC 3 Z9 3 U1 1 U2 9 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0928-1045 J9 J COMPUT-AIDED MATER JI J. Comput-Aided Mater. Des. PD OCT PY 2007 VL 14 IS 3 BP 349 EP 355 DI 10.1007/s10820-007-9048-y PG 7 WC Computer Science, Interdisciplinary Applications; Materials Science, Multidisciplinary SC Computer Science; Materials Science GA 220CC UT WOS:000250133500005 ER PT J AU Valone, SM Baskes, MI AF Valone, S. M. Baskes, M. I. TI Self-irradiation cascade simulations in plutonium metal: Model behavior at high energy SO JOURNAL OF COMPUTER-AIDED MATERIALS DESIGN LA English DT Article DE radiation damage; modified embedded atom method; molecular dynamics; cascade simulations; plutonium ID EMBEDDED-ATOM METHOD; MOLECULAR-DYNAMICS SIMULATIONS; PU-GA ALLOYS; DISPLACEMENT CASCADES; DEFECT PRODUCTION; HCP METALS; POTENTIALS; DAMAGE; SILICON; SYSTEM AB The Modified Embedded Atom Method model for Pu metal is revised so that it more accurately captures the behavior of the Ziegler-Biersack-Littmark model of ion-ion interactions. Two revision are tested with somewhat different stiffnesses in the 2-1000 eV range. The revised models show higher damage levels at 20 KeV than an earlier model, suggesting that the behavior of the models above 100 eV is dominating damage production, at least in the earlier stages of the cascade. C1 Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Valone, SM (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. EM smv@lanl.gov NR 37 TC 10 Z9 10 U1 0 U2 9 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0928-1045 J9 J COMPUT-AIDED MATER JI J. Comput-Aided Mater. Des. PD OCT PY 2007 VL 14 IS 3 BP 357 EP 365 DI 10.1007/s10820-007-9049-x PG 9 WC Computer Science, Interdisciplinary Applications; Materials Science, Multidisciplinary SC Computer Science; Materials Science GA 220CC UT WOS:000250133500006 ER PT J AU Kubota, A Wolfer, WG Valone, SM Baskes, MI AF Kubota, Alison Wolfer, Wilhelm G. Valone, Steven M. Baskes, Michael I. TI Collision cascades in pure delta-plutonium SO JOURNAL OF COMPUTER-AIDED MATERIALS DESIGN LA English DT Article DE molecular dynamics; radiation damage; plutonium ID METALS AB Molecular dynamics simulations of the formation and annealing of large collision cascades in delta-phase plutonium are presented. The defect evolution is followed with time up to 2 ns. Simulations are performed with the MEAM potential at three different temperatures; at 600 K where the pure delta phase is thermodynamically stable; at 300 K where the delta phase can only be maintained in a metastable state with minor additions of gallium or aluminum; and at 180 K where plutonium should transform to the alpha phase. It is found in all three cases that the atomic structure within the cascade evolves through a glass-like state. At 600 K, this structure recovers very slowly; at 300 K it persist up to 2 ns with no discernable trend to recover eventually; and at 180 K the amorphous structure initiated by the collision cascade spreads through the entire crystal and converts it to a glass-like structure. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Kubota, A (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. EM kubota1@llnl.gov NR 12 TC 21 Z9 22 U1 1 U2 12 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0928-1045 J9 J COMPUT-AIDED MATER JI J. Comput-Aided Mater. Des. PD OCT PY 2007 VL 14 IS 3 BP 367 EP 378 DI 10.1007/s10820-007-9057-x PG 12 WC Computer Science, Interdisciplinary Applications; Materials Science, Multidisciplinary SC Computer Science; Materials Science GA 220CC UT WOS:000250133500007 ER PT J AU Baskes, MI Hu, SY Valone, SM Wang, GF Lawson, AC AF Baskes, M. I. Hu, S. Y. Valone, S. M. Wang, G. F. Lawson, A. C. TI Atomistic simulations of Ga atom ordering in Pu 5 at. % Ga alloys SO JOURNAL OF COMPUTER-AIDED MATERIALS DESIGN LA English DT Article DE molecular dynamics; Monte Carlo methods; short range ordering; Ga segregation; Pu-Ga Alloys ID PLUTONIUM; GALLIUM AB We employ molecular dynamics and Monte Carlo (MC) methods to simulate the rearrangement of Ga atoms from a randomly distributed Pu-Ga alloy and study the resultant effect on thermodynamic properties. The results show that all of the first neighbor Ga-Ga bonds are removed at all temperatures considered (200, 400 and 600 K) while the number of 2NN and 3NN bonds increase, and the number of 4NN bonds decreases. These results imply that Ga atoms develop strong short range ordering in the solid solution. The ordering causes an enthalpy decrease about similar to 3-4 meV/atom for different temperatures in the 5 at. % Ga alloy. This energy change is clearly important in the calculation of the Pu-Ga phase diagram. In addition, MC calculations at 200 K show pronounced Ga segregation. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Texas A&M Univ, Dept Chem Engn, College Stn, TX 77843 USA. RP Baskes, MI (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM baskes@lanl.gov OI HU, Shenyang/0000-0002-7187-3082 NR 16 TC 17 Z9 17 U1 0 U2 10 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0928-1045 J9 J COMPUT-AIDED MATER JI J. Comput-Aided Mater. Des. PD OCT PY 2007 VL 14 IS 3 BP 379 EP 388 DI 10.1007/s10820-007-9056-y PG 10 WC Computer Science, Interdisciplinary Applications; Materials Science, Multidisciplinary SC Computer Science; Materials Science GA 220CC UT WOS:000250133500008 ER PT J AU Hu, SY Baskes, MI Stan, M Mitchell, JN Zhang, JX Chen, LQ AF Hu, S. Y. Baskes, M. I. Stan, M. Mitchell, J. N. Zhang, J. X. Chen, L. Q. TI Effect of elastic anisotropy and inhomogeneity on coring structure evolution in Pu-Ga alloys - Phase-field modeling SO JOURNAL OF COMPUTER-AIDED MATERIALS DESIGN LA English DT Article DE phase-field method; coring structure evolution; epsilon to delta phase transformations and Pu-Ga Alloys ID CRYSTAL STRUCTURE; PLUTONIUM; DIFFUSION; GALLIUM AB A coring structure in which delta (fcc) grains have Ga-rich cores with Ga-poor shells forms during the epsilon (bcc) to delta (fcc) phase transformations in Pu-Ga alloys. There are considerable differences between the diffusivities of Ga in epsilon and delta and a large and anisotropic stress field exists in the coring structure due to the large lattice mismatch between these two phases and strong elastic anisotropy. We developed a phase-field model for simulating the coring structure evolution in three dimensions, taking into account the inhomogeneities of both Ga diffusivity and elastic properties. It is shown that the elastic interactions among different oriented d grains and diffusive Ga atoms affect Ga diffusion path, the coring structure, and the growth kinetics of the d phase. C1 Los Alamos Natl Lab, MST 8, Los Alamos, NM 87545 USA. Los Alamos Natl Lab, MST 16, Los Alamos, NM 87545 USA. Penn State Univ, Dept Mat Sci, University Pk, PA 16802 USA. RP Hu, SY (reprint author), Los Alamos Natl Lab, MST 8, Los Alamos, NM 87545 USA. EM syhu@lanl.gov RI Zhang, Jingxian/B-2253-2010; Chen, LongQing/I-7536-2012; Mitchell, Jeremy/E-2875-2010; OI Chen, LongQing/0000-0003-3359-3781; Mitchell, Jeremy/0000-0001-7109-3505; HU, Shenyang/0000-0002-7187-3082 NR 25 TC 2 Z9 2 U1 3 U2 21 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0928-1045 J9 J COMPUT-AIDED MATER JI J. Comput-Aided Mater. Des. PD OCT PY 2007 VL 14 IS 3 BP 389 EP 402 DI 10.1007/s10820-007-9050-4 PG 14 WC Computer Science, Interdisciplinary Applications; Materials Science, Multidisciplinary SC Computer Science; Materials Science GA 220CC UT WOS:000250133500009 ER PT J AU Wolfer, WG AF Wolfer, W. G. TI The dislocation bias SO JOURNAL OF COMPUTER-AIDED MATERIALS DESIGN LA English DT Article DE radiation effects; dislocations; point defects; diffusion; void swelling ID POINT-DEFECTS; IRRADIATED METALS; INTERSTITIALS; STABILITY AB Bias factors for dislocations quantify the preferential diffusion of self-interstitials relative to the diffusion of vacancies to dislocations. These parameters are essential for rate theory computer codes that model nucleation and growth of voids, helium bubbles, dislocation loops, and the evolution of microstructures in materials subject to high dose irradiations. Compact formulae for these factors are derived and the accuracy of several approximations is explored. C1 Lawrence Livermore Natl Lab, Phys & Adv Technol Directorate, Livermore, CA 94550 USA. RP Wolfer, WG (reprint author), Lawrence Livermore Natl Lab, Phys & Adv Technol Directorate, POB 808, Livermore, CA 94550 USA. EM wolferl@llnl.gov NR 30 TC 25 Z9 26 U1 1 U2 7 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0928-1045 J9 J COMPUT-AIDED MATER JI J. Comput-Aided Mater. Des. PD OCT PY 2007 VL 14 IS 3 BP 403 EP 417 DI 10.1007/s10820-007-9051-3 PG 15 WC Computer Science, Interdisciplinary Applications; Materials Science, Multidisciplinary SC Computer Science; Materials Science GA 220CC UT WOS:000250133500010 ER PT J AU Surh, MP Wolfer, WG AF Surh, Michael P. Wolfer, Wilhelm G. TI Accurate mean field void bias factors for radiation swelling calculations SO JOURNAL OF COMPUTER-AIDED MATERIALS DESIGN LA English DT Article DE radiation effects; voids; bubbles; point defects; diffusion ID POINT-DEFECTS AB A fast numerical approximation is introduced for the interaction of vacancies and interstitials with a spherical cavity in an isotropic elastic medium. The image interaction is evaluated from a fit which is accurate and simple enough to obtain bias factors for rate theories of radiation swelling by direct numerical integration. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Surh, MP (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. EM surh1@llnl.gov NR 6 TC 2 Z9 2 U1 1 U2 2 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0928-1045 J9 J COMPUT-AIDED MATER JI J. Comput-Aided Mater. Des. PD OCT PY 2007 VL 14 IS 3 BP 419 EP 424 DI 10.1007/s10820-007-9052-2 PG 6 WC Computer Science, Interdisciplinary Applications; Materials Science, Multidisciplinary SC Computer Science; Materials Science GA 220CC UT WOS:000250133500011 ER PT J AU Rudd, RE Seppala, ET Dupuy, LM Belak, J AF Rudd, R. E. Seppala, E. T. Dupuy, L. M. Belak, J. TI Void coalescence processes quantified through atomistic and multiscale simulation SO JOURNAL OF COMPUTER-AIDED MATERIALS DESIGN LA English DT Article DE void growth; void coalescence; molecular dynamics; multiscale modeling; adaptive sampling ID SITU ADAPTIVE TABULATION; DUCTILE FRACTURE; GROWTH; MODEL; NUCLEATION; PLASTICITY; STRESS; METALS AB Simulation of ductile fracture at the atomic scale reveals many aspects of the fracture process including specific mechanisms associated with void nucleation and growth as a precursor to fracture and the plastic deformation of the material surrounding the voids and cracks. Recently we have studied void coalescence in ductile metals using large-scale atomistic and continuum simulations. Here we review that work and present some related investigations. The atomistic simulations involve three-dimensional strain-controlled multi-million atom molecular dynamics simulations of copper. The correlated growth of two voids during the coalescence process leading to fracture is investigated, both in terms of its onset and the ensuing dynamical interactions. Void interactions are quantified through the rate of reduction of the distance between the voids, through the correlated directional growth of the voids, and through correlated shape evolution of the voids. The critical inter-void ligament distance marking the onset of coalescence is shown to be approximately one void radius based on the quantification measurements used, independent of the initial separation distance between the voids and the strain-rate of the expansion of the system. No pronounced shear flow is found in the coalescence process. We also discuss a technique for optimizing the calculation of fine-scale information on the fly for use in a coarse-scale simulation, and discuss the specific case of a fine-scale model that calculates void growth explicitly feeding into a coarse-scale mechanics model to study damage localization. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. Nokia Res Ctr, FIN-00180 Helsinki, Finland. RP Rudd, RE (reprint author), Lawrence Livermore Natl Lab, POB 808, Livermore, CA 94551 USA. EM rudd1@llnl.gov RI Dupuy, Laurent/E-3983-2013 NR 32 TC 21 Z9 21 U1 1 U2 26 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0928-1045 J9 J COMPUT-AIDED MATER JI J. Comput-Aided Mater. Des. PD OCT PY 2007 VL 14 IS 3 BP 425 EP 434 DI 10.1007/s10820-007-9054-0 PG 10 WC Computer Science, Interdisciplinary Applications; Materials Science, Multidisciplinary SC Computer Science; Materials Science GA 220CC UT WOS:000250133500012 ER PT J AU Dobrescu, BA Hooper, D Kong, K Mahbubani, R AF Dobrescu, Bogdan A. Hooper, Dan Kong, Kyoungchul Mahbubani, Rakhi TI Spinless photon dark matter from two universal extra dimensions SO JOURNAL OF COSMOLOGY AND ASTROPARTICLE PHYSICS LA English DT Article DE dark matter; extra dimensions; cosmology with extra dimensions; cosmology of theories beyond the SM ID PARTICLE; MODEL AB We explore the properties of dark matter in theories with two universal extra dimensions, where the lightest Kaluza-Klein state is a spin-0 neutral particle, representing a six-dimensional photon polarized along the extra dimensions. Annihilation of this 'spinless photon' proceeds predominantly through Higgs boson exchange, and is largely independent of other Kaluza-Klein particles. The measured relic abundance sets an upper limit on the spinless photon mass of 500 GeV, which decreases to almost 200 GeV if the Higgs boson is light. The phenomenology of this dark matter candidate is strikingly different from Kaluza-Klein dark matter in theories with one universal extra dimension. Elastic scattering of the spinless photon with quarks is helicity suppressed, making its direct detection challenging, although possible at upcoming experiments. The prospects for indirect detection with gamma rays and antimatter are similar to those of neutralinos. The rates predicted at neutrino telescopes are below the sensitivity of next-generation experiments. C1 Fermilab Natl Accelerator Lab, Dept Theoret Phys, Batavia, IL 60510 USA. Fermilab Natl Accelerator Lab, Theoret Astrophys Dept, Batavia, IL 60510 USA. RP Dobrescu, BA (reprint author), Fermilab Natl Accelerator Lab, Dept Theoret Phys, POB 500, Batavia, IL 60510 USA. EM bdob@fnal.gov; dhooper@fnal.gov; kckong@fnal.gov; rakhi@fnal.gov NR 54 TC 36 Z9 36 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1475-7516 J9 J COSMOL ASTROPART P JI J. Cosmol. Astropart. Phys. PD OCT PY 2007 IS 10 AR 012 DI 10.1088/1475-7516/2007/10/012 PG 20 WC Astronomy & Astrophysics; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 227FG UT WOS:000250642000007 ER PT J AU Rescigno, TN Vanroose, W Horner, DA Martin, F McCurdy, CW AF Rescigno, T. N. Vanroose, W. Horner, D. A. Martin, F. McCurdy, C. W. TI First principles study of double photoionization of H-2 using exterior complex scaling SO JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA LA English DT Article; Proceedings Paper CT International Conference on Many Particle Spectroscoph of Atoms, Molecules, Clusters and Surfaces CY JUN 22-24, 2006 CL Rome, ITALY DE double photoionization; photoionization ID DIFFERENTIAL CROSS-SECTIONS; PHOTO-DOUBLE-IONIZATION; ELECTRON-ENERGY; B-SPLINES; HELIUM; MOLECULE; FRAGMENTATION; DEUTERIUM; HYDROGEN; BREAKUP AB Exterior complex scaling provides a practical path for first-principles studies of atomic and molecular ionization problems since it avoids explicit enforcement of asymptotic boundary conditions for 3-body Coulomb breakup. We have used the method of exterior complex scaling, implemented with both the discrete variable representation and B-splines, to obtain the first-order wave function for molecular hydrogen corresponding to a single photon having been absorbed by a correlated initial state. These wave functions are used to construct converged triple differential cross sections for double photoionization of aligned H-2 molecules. (c) 2007 Elsevier B.V. All rights reserved. C1 Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Univ Antwerp, Dept Wiskunde Inforamt, B-2020 Antwerp, Belgium. Univ Autonoma Madrid, Dept Quim C9, E-28049 Madrid, Spain. Univ Calif Davis, Dept Chem, Davis, CA 95616 USA. Univ Calif Davis, Dept Appl Sci, Davis, CA 95616 USA. RP Rescigno, TN (reprint author), Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. EM tnrescigno@lbl.gov RI Martin, Fernando/C-3972-2014; Vanroose, Wim/J-4292-2013 OI Martin, Fernando/0000-0002-7529-925X; Vanroose, Wim/0000-0001-8349-1391 NR 32 TC 4 Z9 4 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0368-2048 J9 J ELECTRON SPECTROSC JI J. Electron Spectrosc. Relat. Phenom. PD OCT PY 2007 VL 161 IS 1-3 BP 85 EP 89 DI 10.1016/j.elspec.2007.02.012 PG 5 WC Spectroscopy SC Spectroscopy GA 227WM UT WOS:000250688500018 ER PT J AU Weiss, AH Sundaramoorthy, R Hulbert, SL Butynski, RA AF Weiss, A. H. Sundaramoorthy, R. Hulbert, S. L. Butynski, R. A. TI Modeling of the energy spectra of individual steps of the L-23 -> M2,3M2,3 -> M2,3VV -> VVVV cascade chain in MnO SO JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA LA English DT Article; Proceedings Paper CT International Conference on Many Particle Spectroscoph of Atoms, Molecules, Clusters and Surfaces CY JUN 22-24, 2006 CL Rome, ITALY DE Auger cascade; Auger lineshape; MnO AB Model calculations of the energy spectra of individual steps of the Mn L-23 -> M2.3M2.3 -> M-2,M-3 VV -> VVVV Auger cascade of MnO are described and the results compared with the results of recent Auger-Auger coincidence measurements. The spectra are modeled in terms of multiple integrations over products of the valence band density of states (VB-DOS) and an energy conserving delta function which includes hole-hole interactions in its argument. The formalism has applications to spectra of Auger transitions occurring in the later stages of Auger decay in which there are valence holes in the intermediate state preceding the transition and results in a lineshape which is proportional to an energy shifted function comprised of N-i correlation and N-f - 1 convolution operations over VB-DOS's where Ni and Nf are the number of valence holes in the initial and final states, respectively. (c) 2007 Elsevier B.V. All rights reserved. C1 Univ Texas, Dept Phys, Arlington, TX 76019 USA. Brookhaven Natl Lab, NSLS, Upton, NY 11973 USA. Rutgers State Univ, Dept Phys & Astron, Piscataway, NJ 08854 USA. RP Weiss, AH (reprint author), Univ Texas, Dept Phys, POB 19059, Arlington, TX 76019 USA. EM weiss@uta.edu RI Weiss, Alex/G-4941-2011 NR 6 TC 3 Z9 3 U1 1 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0368-2048 J9 J ELECTRON SPECTROSC JI J. Electron Spectrosc. Relat. Phenom. PD OCT PY 2007 VL 161 IS 1-3 BP 160 EP 163 DI 10.1016/j.elspec.2007.03.011 PG 4 WC Spectroscopy SC Spectroscopy GA 227WM UT WOS:000250688500032 ER PT J AU Gonis, A AF Gonis, A. TI Two-particle approach to the electronic structure of solids I: Scattering in the presence of the Coulomb interaction SO JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA LA English DT Article; Proceedings Paper CT International Conference on Many Particle Spectroscoph of Atoms, Molecules, Clusters and Surfaces CY JUN 22-24, 2006 CL Rome, ITALY DE correlation effects; spectra; two-particle propagators; Green function; density of states; single-particle Green function ID NARROW ENERGY-BANDS; LIMIT; MODEL AB Based on an extension of Hubbard's treatment of the electronic structure of correlated electrons in matter we propose a methodology that incorporates the scattering off the Coulomb interaction through the determination of a two-particle propagator. The Green function equations of motion are then used to obtain single-particle Green functions and related properties such as densities of states. The solutions of the equations of motion in two- and single-particle spaces are accomplished through applications of the coherent potential approximation. The formalism is illustrated by means of calculations for a single-band model system representing a linear arrangement of sites with nearest neighbor hopping and an one-site repulsion when two electrons of opposite spin occupy the same site in the lattice in the manner described by the so-called Hubbard Hamiltonian. (c) 2007 Elsevier B.V. All rights reserved. C1 Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. RP Gonis, A (reprint author), Lawrence Livermore Natl Lab, POB 808,L-372, Livermore, CA 94551 USA. EM gonis@comcast.net NR 31 TC 1 Z9 1 U1 0 U2 0 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0368-2048 EI 1873-2526 J9 J ELECTRON SPECTROSC JI J. Electron Spectrosc. Relat. Phenom. PD OCT PY 2007 VL 161 IS 1-3 BP 207 EP 215 DI 10.1016/j.elspec.2007.02.010 PG 9 WC Spectroscopy SC Spectroscopy GA 227WM UT WOS:000250688500042 ER PT J AU Paranthaman, MP Selvamanickam, V Matsumoto, K Gianni, L Zhang, W Goyal, A Wong-Ng, W AF Paranthaman, M. Parans Selvamanickam, Venkat Matsumoto, Kaname Gianni, Luigia Zhang, Wei Goyal, Amit Wong-Ng, Winnie TI Special section: Superconducting wires and tapes - Foreword SO JOURNAL OF ELECTRONIC MATERIALS LA English DT Editorial Material C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. SuperPower Inc, Schenectady, NY USA. Kyushu Inst Technol, Kitakyushu, Fukuoka 8048550, Japan. Edison Spa, Milan, Italy. Amer Supercond Corp, Westborough, MA USA. NIST, Gaithersburg, MD 20899 USA. RP Paranthaman, MP (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. RI Paranthaman, Mariappan/N-3866-2015 OI Paranthaman, Mariappan/0000-0003-3009-8531 NR 0 TC 0 Z9 0 U1 0 U2 1 PU MINERALS METALS MATERIALS SOC PI WARRENDALE PA 184 THORN HILL RD, WARRENDALE, PA 15086 USA SN 0361-5235 J9 J ELECTRON MATER JI J. Electron. Mater. PD OCT PY 2007 VL 36 IS 10 BP 1229 EP 1229 DI 10.1007/s11664-007-0197-2 PG 1 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Physics, Applied SC Engineering; Materials Science; Physics GA 220IA UT WOS:000250149200001 ER PT J AU Wee, SH Goyal, A Li, J Zhang, Y Heatherly, L AF Wee, S. H. Goyal, A. Li, J. Zhang, Y. Heatherly, L. TI Epitaxial growth of High-J(c) NdBa2Cu3O7-delta films on RABiTS by pulsed laser deposition SO JOURNAL OF ELECTRONIC MATERIALS LA English DT Article; Proceedings Paper CT Materials Science and Technology Conference and Exhibition 2006 CY OCT, 2006 CL Cincinnati, OH DE NdBa2Cu3O7-delta; flux-pinning; RABiTS; critical current density ID CRITICAL-CURRENT DENSITY; THIN-FILMS; FIELD-DEPENDENCE AB NdBa2Cu3O7-delta (NdBCO) films were grown on rolling-assisted biaxially textured substrates (RABiTS) via pulsed laser deposition. c-Axis-oriented epitaxial NdBCO films with high performance were obtained under optimal deposition conditions. Transmission electron microscopy analysis shows that the NdBCO film grown on RABiTS has a clear interface with a CeO2 cap layer and a nearly perfect lattice structure. The NdBCO film exhibits higher T-c of 93.7 K and better in-field J(c) in magnetic fields and at all field orientations, compared to pure YBCO films. C1 Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Wee, SH (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37831 USA. EM wees@ornl.gov NR 11 TC 1 Z9 1 U1 1 U2 2 PU MINERALS METALS MATERIALS SOC PI WARRENDALE PA 184 THORN HILL RD, WARRENDALE, PA 15086 USA SN 0361-5235 J9 J ELECTRON MATER JI J. Electron. Mater. PD OCT PY 2007 VL 36 IS 10 BP 1230 EP 1233 DI 10.1007/s11664-007-0213-6 PG 4 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Physics, Applied SC Engineering; Materials Science; Physics GA 220IA UT WOS:000250149200002 ER PT J AU Bhuiyan, MS Paranthaman, M Sathyamurthy, S AF Bhuiyan, M. S. Paranthaman, M. Sathyamurthy, S. TI Chemical solution-based epitaxial oxide films on biaxially textured ni-w substrates with improved out-of-plane texture for YBCO-Coated conductors SO JOURNAL OF ELECTRONIC MATERIALS LA English DT Article; Proceedings Paper CT Materials Science and Technology Conference and Exhibition 2006 CY OCT, 2006 CL Cincinnati, OH SP Amer Ceram Soc, Assoc Iron & Steel Technol, ASME Int, Minerals, Met & Mat Soc DE epitaxial; improved texture; coated conductor; buffer ID CEO2 BUFFER LAYERS; SOLUTION DEPOSITION; CURRENT-DENSITY; MOD APPROACH; GROWTH; TAPES; FABRICATION; PERFORMANCE; PRECURSOR; YBA2CU3O7 AB Epitaxial films of rare-earth (RE) niobates (where the rare earth includes La, Ce, and Nd) and lanthanum tantalate with pyrochlore structures were grown directly on biaxially textured nickel-3 at.% tungsten (Ni-W) substrates using a chemical solution deposition (CSD) process. Scanning electron microscopy (SEM) and atomic force microscopy (AFM) analysis revealed the surface morphology of the films to be smooth and homogeneous. Detailed X-ray diffraction analysis showed that the films of pyrochlore RE niobate and La-tantalate are highly textured with cube-on-cube epitaxy. The overall texture quality of the films was investigated by measuring the full-width half-maximum (FWHM) of the (004) and (222) rocking curves. We observed a sharper texture for both lanthanum niobate (La3NbO7) and lanthanum tantalate (La3TaO7) films compared to the underlying Ni-W substrate, though they have a larger lattice misfit with the Ni-W substrates. These results were comparable to the texture improvement observed in vacuum-deposited Y2O3 seed layers. Texture improvement in the seed layer is the key towards obtaining YBCO films with a higher critical current density. Hence, solution-deposited La3NbO7 and La3TaO7 films can be used as a seed layer towards developing all metalorganic-deposited (MOD) buffer/YBCO architectures. C1 Oak Ridge Natl Lab, Div Chem Sci, Mat Chem Grp, Oak Ridge, TN 37831 USA. RP Paranthaman, M (reprint author), Oak Ridge Natl Lab, Div Chem Sci, Mat Chem Grp, Oak Ridge, TN 37831 USA. EM paranthamanm@ornl.gov RI Paranthaman, Mariappan/N-3866-2015 OI Paranthaman, Mariappan/0000-0003-3009-8531 NR 17 TC 7 Z9 8 U1 1 U2 10 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0361-5235 EI 1543-186X J9 J ELECTRON MATER JI J. Electron. Mater. PD OCT PY 2007 VL 36 IS 10 BP 1270 EP 1274 DI 10.1007/s11664-007-0228-z PG 5 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Physics, Applied SC Engineering; Materials Science; Physics GA 220IA UT WOS:000250149200008 ER PT J AU Bhattacharya, RN Phok, S AF Bhattacharya, Raghu N. Phok, Sovannary TI Electrodeposited Gd2Zr2O7 and Gd2O3 buffer layers for YBa2Cu3O7-delta superconductors SO JOURNAL OF ELECTRONIC MATERIALS LA English DT Article; Proceedings Paper CT Materials Science and Technology Conference and Exhibition 2006 CY OCT, 2006 CL Cincinnati, OH ID NEGATIVE-RESISTANCE; OXIDE-FILMS; THIN-FILMS; GROWTH; DEPOSITION AB Non-vacuum electrodeposition (ED) was used to prepare a biaxially textured Gd2Zr2O7 (GZO) and GZO/Gd2O3 (GO) buffer layer on a Ni-W substrate. The YBa2Cu3O7-delta (YBCO) superconductor was deposited by pulsed-laser deposition (PLD) on a simplified ED-GZO and ED-GZO/ED-GO buffer layer. The buffer layers and YBCO superconductor were characterized by X-ray diffraction (including theta/2 theta, pole figure, omega scans, and phi scans) and atomic force microscopy. Full-width at half maximum values of the omega (omega) and phi (Phi) scans of the electrodeposited GZO and GZO/GO layer were better than those of the Ni-W base substrate. At 77 K and a self-magnetic field, the critical current density of PLD YBCO on the electrodeposited-based buffer layer was 3.3 x 10(6) A/cm(2), using the field criterion of 1 mu V/cm. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Bhattacharya, RN (reprint author), Natl Renewable Energy Lab, 1617 Cole Blvd, Golden, CO 80401 USA. EM Raghu-Bhattacharya@nrel.gov NR 12 TC 7 Z9 7 U1 0 U2 1 PU MINERALS METALS MATERIALS SOC PI WARRENDALE PA 184 THORN HILL RD, WARRENDALE, PA 15086 USA SN 0361-5235 J9 J ELECTRON MATER JI J. Electron. Mater. PD OCT PY 2007 VL 36 IS 10 BP 1275 EP 1278 DI 10.1007/s11664-007-0192-7 PG 4 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Physics, Applied SC Engineering; Materials Science; Physics GA 220IA UT WOS:000250149200009 ER PT J AU Li, Q Ye, Z AF Li, Qiang Ye, Zuxin TI Quantitative magneto-optical Imaging for superconducting thick films and tapes SO JOURNAL OF ELECTRONIC MATERIALS LA English DT Article; Proceedings Paper CT Materials Science and Technology Conference and Exhibition 2006 CY OCT, 2006 CL Cincinnati, OH DE magneto optical imaging (MOI); J(c); coated conductors; flux pinning ID CRITICAL-CURRENT DENSITY; MGB2/MG NANO-COMPOSITES; YBA2CU3O7 FILMS; AC LOSSES; DISKS AB Practical superconducting thick films and tapes, manufactured in an industrial process, have microscopic inhomogeneities. Quantitative magneto-optical imaging (MOI) is one of the most desirable techniques and provides both local and global information on defects, flux pinning, critical current density J(c), and current distribution. We present, herein, a comparative magneto-optical imaging study of the flux profile in YBa2Cu3O7-delta (YBCO) thick films prepared in two different processes, the laboratory versus the industrial scalable process. The remarkably different flux propagation patterns are the manifestation of their different defect landscapes within these films. A method of determining J(c) near zero applied field is also given for locally nonuniform superconducting films, using the quantitative MOI technique. C1 Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. Texas A&M Univ, Dept Phys, College Stn, TX 77843 USA. RP Li, Q (reprint author), Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci Dept, Upton, NY 11973 USA. EM qiangli@bnl.gov NR 18 TC 0 Z9 0 U1 1 U2 5 PU MINERALS METALS MATERIALS SOC PI WARRENDALE PA 184 THORN HILL RD, WARRENDALE, PA 15086 USA SN 0361-5235 J9 J ELECTRON MATER JI J. Electron. Mater. PD OCT PY 2007 VL 36 IS 10 BP 1288 EP 1292 DI 10.1007/s11664-007-0220-7 PG 5 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Physics, Applied SC Engineering; Materials Science; Physics GA 220IA UT WOS:000250149200011 ER PT J AU Ferrari, ML Liese, E Tucker, D Lawson, L Traverso, A Massardo, AF AF Ferrari, Mario L. Liese, Eric Tucker, David Lawson, Larry Traverso, Alberto Massardo, Aristide F. TI Transient modeling of the NETL hybrid fuel cell/gas turbine facility and experimental validation SO JOURNAL OF ENGINEERING FOR GAS TURBINES AND POWER-TRANSACTIONS OF THE ASME LA English DT Article ID MICRO-GAS-TURBINE; PERFORMANCE AB This paper describes the experimental validation of two different transient models of the,hybridfuel cell/gas turbine facility of the U.S. DOE-NETL at Morgantown. The first part of this work is devoted to the description of the facility, designed to experimentally investigate these plants with real components, except the fuel cell. The behavior of the SOFC is obtained with apt volumes (for the stack and the off-gas burner) and using a combustor to generate similar thermal effects. The second part of this paper shows the facility real-time transient model developed at the U.S. DOE-NETL and the detailed transient modeling activity using the TRANSEO program developed at TPG. The results obtained with both models are successfully compared with the experimental data of two different load-step decreases. The more detailed model agrees more closely with the experimental data, which, of course, is more time consuming than the real-time model (the detailed model operates with a calculation over calculated time ratio around 6). Finally, the TPG model has been used to discuss the importance of performance map precision for both compressor and turbine. This is an important analysis to better understand the steady-state difference between the two models. C1 Univ Genoa, Thermochem Power Grp, Genoa, Italy. US DOE, Natl Energy Technol Lab, Morgantown, WV USA. RP Ferrari, ML (reprint author), Univ Genoa, Thermochem Power Grp, Genoa, Italy. EM mario.ferrari@unige.it; eric.liese@netl.doe.gov; david.tucker@netl.doe.gov; larry.lawson@netl.doe.gov; alberto.traverso@unige.it OI Ferrari, Mario Luigi/0000-0002-9917-5067; Massardo, Aristide/0000-0002-2921-8746 NR 26 TC 23 Z9 23 U1 1 U2 4 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0742-4795 J9 J ENG GAS TURB POWER JI J. Eng. Gas. Turbines Power-Trans. ASME PD OCT PY 2007 VL 129 IS 4 BP 1012 EP 1019 DI 10.1115/1.2747265 PG 8 WC Engineering, Mechanical SC Engineering GA 223EP UT WOS:000250352700016 ER PT J AU Kim, GH Kirkpatrick, A Mitchell, C AF Kim, Gi-Heon Kirkpatrick, Allan Mitchell, Charles TI Supersonic virtual valve design for numerical simulation of a large-bore natural gas engine SO JOURNAL OF ENGINEERING FOR GAS TURBINES AND POWER-TRANSACTIONS OF THE ASME LA English DT Article AB In many applications of supersonic injection devices, three-dimensional computation that can model a complex supersonic jet has become critical. However, in spite of its increasing necessity, it is computationally costly to capture the details of supersonic structures in intricate three-dimensional geometries with moving boundaries. In large-bore stationary natural gas fueled engine research, one of the most promising mixing enhancement technologies currently used for natural gas engines is high-pressure fuel injection. Consequently, this creates considerable interest in three-dimensional computational simulations that can examine the entire injection and mixing process in engines using high-pressure injection and can determine the impact of injector design on engine performance. However the cost of three-dimensional engine simulations-including a moving piston and the kinetics of combustion and pollutant production-quickly becomes considerable in terms of simulation time requirements. One limiting factor is the modeling of the small length scales of the poppet valve flow. Such length scales can be three orders of magnitude smaller than cylinder length scales. The objective of this paper is to describe the development of a methodology for the design of a simple geometry supersonic virtual valve that can be substituted in three-dimensional numerical models for the complex shrouded poppet valve injection system actually installed in the engine to be simulated. Downstream flow characteristics of the jets from an actual valve and various virtual valves are compared. Relevant mixing parameters, such as local equivalent ratio and turbulence kinetic energy, are evaluated in full-scale moving piston simulations that include the effect of the jet-piston interaction. A comparison of the results has indicated that it is possible to design a simple converging-diverging fuel nozzle that will produce the same jet and, subsequently, the same large-scale and turbulent-scale mixing patterns in the engine cylinder as a real poppet valve. C1 Natl Renewable Energy Lab, Golden, CO 80401 USA. Colorado State Univ, Dept Mech Engn, Ft Collins, CO 80523 USA. RP Kim, GH (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. NR 10 TC 6 Z9 7 U1 0 U2 2 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0742-4795 J9 J ENG GAS TURB POWER JI J. Eng. Gas. Turbines Power-Trans. ASME PD OCT PY 2007 VL 129 IS 4 BP 1065 EP 1071 DI 10.1115/1.2747251 PG 7 WC Engineering, Mechanical SC Engineering GA 223EP UT WOS:000250352700022 ER PT J AU Loomis, E Peralta, P Swift, DC AF Loomis, Eric Peralta, Pedro Swift, Damian C. TI Modeling of elastic waves in dynamically loaded NiAl bicrystals SO JOURNAL OF ENGINEERING MATERIALS AND TECHNOLOGY-TRANSACTIONS OF THE ASME LA English DT Article DE bicrystal; nial; elastic wave; anisotropy; scattering AB Two methods have been used to simulate 2D elastic wave scattering in nickel aluminide (NiAl) bicrystals to study effects of grain boundaries and material anisotropy on elastic wave propagation. Scattering angles and amplitude ratios of the reflected and refracted waves produced at the grain boundary were calculated via slowness curves for both. grains, which were plotted in the plane of incidence containing the grain boundary, normal. From these curves, scattering angles were measured graphically and amplitude ratios were calculated based on the continuity of tractions and displacements at the boundary. To support these calculations, finite element simulations were performed with ABAQUS/EXPLICIT to obtain timed and space-dependent stresses. The results of each method correlated well with each other for four bicrystals. It was found that for bicrystals where the transmitted quasi- longitudinal (TQL) wave amplitude decreased across the boundary, diminished stresses were found in the finite element models for the same bicrystal., Conversely, where an increase in amplitude of the TQL wave was found, the finite element simulations showed that stress under the boundary increased. In general, the amplitude of the TQL wave was found to have a strong connection to the ratio of incident and TQL sound speeds. However other directions in each grain are believed to contribute strongly to the overall scattering process since the pair's of bicrystals in this investigation had somewhat similar sound speeds. These findings correlated well with free surface cracking observed in a previous paper (Loomis, E., Peralta, P, Swift, D., and McClellan, K., 2005, Mater. Sci. Eng., Ser A., 404(1-2), pp. 291-300), where cracks nucleated and propagated due to the focusing of scattered waves at the boundary. Specifically, in bicrystals oriented for shielding, the grain boundary was protected forcing cracks to grow outside of the shielded region. C1 Los Alamos Natl Lab, Los Alamos, NM 87545 USA. Arizona State Univ, Dept Mech & Aerosp Engn, Tempe, AZ 85287 USA. Lawrence Livermore Natl Lab, Mat Sci & Technol Div, Livermore, CA 94551 USA. RP Loomis, E (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM loomis@lanl.gov NR 15 TC 5 Z9 5 U1 0 U2 5 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0094-4289 J9 J ENG MATER-T ASME JI J. Eng. Mater. Technol.-Trans. ASME PD OCT PY 2007 VL 129 IS 4 BP 513 EP 522 DI 10.1115/1.2772328 PG 10 WC Engineering, Mechanical; Materials Science, Multidisciplinary SC Engineering; Materials Science GA 220KM UT WOS:000250155600003 ER PT J AU Turitsyn, KS AF Turitsyn, K. S. TI Polymer dynamics in chaotic flows with a strong shear component SO JOURNAL OF EXPERIMENTAL AND THEORETICAL PHYSICS LA English DT Article ID COIL-STRETCH TRANSITION; ELASTIC TURBULENCE; FLEXIBLE POLYMERS; ELONGATIONAL FLOW; DILUTE; STATISTICS; PARTICLES; FLUID AB We consider the dynamics of a polymer molecule injected into a chaotic flow with a strong mean shear component. The polymer experiences aperiodic tumbling in such flows. We consider a simplified model of the chaotic velocity field given by the superposition of a steady shear flow and a large-scale isotropic short-correlated random component. In the framework of this model, we present a detailed study of the statistical properties of single-polymer dynamics. We obtain the stationary probability distribution function of the polymer orientation, find the distribution of time periods between consequent events of tumbling, and find the tails of the polymer size distribution. C1 LD Landau Theoret Phys Inst, Moscow 119334, Russia. Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Turitsyn, KS (reprint author), LD Landau Theoret Phys Inst, Moscow 119334, Russia. EM tur@itp.ac.ru RI Turitsyn, Konstantin/K-5978-2012 OI Turitsyn, Konstantin/0000-0002-7997-8962 NR 29 TC 23 Z9 23 U1 0 U2 0 PU MAIK NAUKA/INTERPERIODICA/SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013-1578 USA SN 1063-7761 J9 J EXP THEOR PHYS+ JI J. Exp. Theor. Phys. PD OCT PY 2007 VL 105 IS 3 BP 655 EP 664 DI 10.1134/S1063776107090245 PG 10 WC Physics, Multidisciplinary SC Physics GA 222NB UT WOS:000250303100024 ER PT J AU Smith, BL Stepan, JJ McEligot, DM AF Smith, Barton L. Stepan, Jack J. McEligot, Donald M. TI Velocity and pressure measurements along a row of confined cylinders SO JOURNAL OF FLUIDS ENGINEERING-TRANSACTIONS OF THE ASME LA English DT Article; Proceedings Paper CT ASME Fluids Engineering Division Summer Meeting CY JUL 17-20, 2006 CL Miami, FL SP ASME ID PARTICLE IMAGE VELOCIMETRY; STAGGERED TUBE BUNDLE; PIN FIN ARRAYS; HEAT-TRANSFER; CROSS-FLOW; WAKE; CONVECTION; BANKS AB The results of flow experiments performed in a row of confined cylinders designed to mimic a model of a prismatic gas-cooled reactor lower plenum design are presented. Pressure measurements between the cylinders were made. Additionally, the flow field was measured using particle image velocimetry at two different resolutions (one at high resolution and a second with wide angle that includes three cylinders). Based on these measurements, five regimes of flow behavior are identified that are found to depend on Reynolds number It is found that the recirculation region behind the cylinders is shorter than that of half-cylinders placed on the wall representing the symmetry plane. Unlike a single cylinder the separation point is always found to be on the rear of the cylinders, even at very low Reynolds number. C1 Utah State Univ, Logan, UT 84322 USA. INL, Idaho Falls, ID 83415 USA. Univ Arizona, Tucson, AZ 85721 USA. Univ Stuttgart, IKE, D-70569 Stuttgart, Germany. RP Smith, BL (reprint author), Utah State Univ, Logan, UT 84322 USA. RI Smith, Barton/H-3585-2011 NR 37 TC 3 Z9 3 U1 0 U2 2 PU ASME-AMER SOC MECHANICAL ENG PI NEW YORK PA THREE PARK AVE, NEW YORK, NY 10016-5990 USA SN 0098-2202 J9 J FLUID ENG-T ASME JI J. Fluids Eng.-Trans. ASME PD OCT PY 2007 VL 129 IS 10 BP 1314 EP 1327 DI 10.1115/1.2776970 PG 14 WC Engineering, Mechanical SC Engineering GA 221RR UT WOS:000250245500009 ER PT J AU Graf, PA Jones, WB AF Graf, Peter A. Jones, Wesley B. TI A projection based multiscale optimization method for eigenvalue problems SO JOURNAL OF GLOBAL OPTIMIZATION LA English DT Article DE reduced-order modeling; approximation optimization; multiscale optimization; galerkin projection AB We present a projection based multiscale optimization method for eigenvalue problems. In multiscale optimization, optimization steps using approximations at a coarse scale alternate with corrections by occasional calculations at a finer scale. We study an example in the context of electronic structure optimization. Theoretical analysis and numerical experiments provide estimates of the expected efficiency and guidelines for parameter selection. C1 Natl Renewable Energy Lab, Ctr Comp Sci, Golden, CO 80401 USA. RP Graf, PA (reprint author), Natl Renewable Energy Lab, Ctr Comp Sci, 1617 Cole Blvd Mailstop 1608, Golden, CO 80401 USA. EM peter_graf@nrel.gov NR 20 TC 0 Z9 0 U1 0 U2 3 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 0925-5001 J9 J GLOBAL OPTIM JI J. Glob. Optim. PD OCT PY 2007 VL 39 IS 2 BP 235 EP 245 DI 10.1007/s10898-007-9135-3 PG 11 WC Operations Research & Management Science; Mathematics, Applied SC Operations Research & Management Science; Mathematics GA 207OW UT WOS:000249261400005 ER PT J AU Barenboim, G Lykken, JD AF Barenboim, Gabriela Lykken, Joseph D. TI Quintessence, inflation and baryogenesis from a single pseudo-Nambu-Goldstone boson SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE cosmology of theories beyond the SM; baryogenesis ID WATER CHERENKOV DETECTOR; GENERATION; LEPTOGENESIS; ASYMMETRY; MATTER AB We exhibit a model in which a single pseudo-Nambu-Goldstone boson explains dark energy, inflation and baryogenesis. The model predicts correlated signals in future collider experiments, WIMP searches, proton decay experiments, dark energy probes, and the PLANCK satellite CMB measurements. C1 Univ Valencia, Dept Fis Teor, CSIC, E-46100 Burjassot, Valencia, Spain. Univ Valencia, IFIC, CSIC, E-46100 Burjassot, Valencia, Spain. Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Barenboim, G (reprint author), Univ Valencia, Dept Fis Teor, CSIC, Carrer Dr Moliner 50, E-46100 Burjassot, Valencia, Spain. EM gabriela.barenboim@uv.es; lykken@fnal.gov NR 32 TC 5 Z9 5 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD OCT PY 2007 IS 10 AR 032 PG 15 WC Physics, Particles & Fields SC Physics GA 228VC UT WOS:000250759700079 ER PT J AU Chung, DJH Everett, LL Kong, K Matchev, KT AF Chung, Daniel J. H. Everett, Lisa L. Kong, Kyoungchul Matchev, Konstantin T. TI Connecting LHC, ILC, and quintessence SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE beyond standard model; supersymmetric standard model; cosmology of theories beyond the SM; supersymmetry phenomology ID FOCUS-POINT SUPERSYMMETRY; DARK-MATTER ABUNDANCE; RELIC DENSITY; LINEAR COLLIDER; ENERGY; COANNIHILATION; CONSTRAINTS; BENCHMARKS; MICROMEGAS; COSMOLOGY AB If the cold dark matter consists of weakly interacting massive particles (WIMPs), anticipated measurements of the WIMP properties at the Large Hadron Collider (LHC) and the International Linear Collider (ILC) will provide an unprecedented experimental probe of cosmology at temperatures of order t GeV. It is worth emphasizing that the expected outcome of these tests may or may not be consistent with the picture of standard cosmology. For example, in kination-dominated quintessence models of dark energy, the dark matter relic abundance can be significantly enhanced compared to that obtained from freeze out in a radiation-dominated universe. Collider measurements then will simultaneously probe both dark matter and dark energy. In this article, we investigate the precision to which the LHC and ILC can determine the dark matter and dark energy parameters under those circumstances. We use an illustrative set of four benchmark points in minimal supergravity in analogy with the four LCC benchmark points. The precision achievable together at the LHC and ILC is sufficient to discover kination-dominated quintessence, under the assumption that the WIMPs are the only dark matter component. The LHC and ILC can thus play important roles as alternative probes of both dark matter and dark energy. C1 Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. Fermilab Natl Accelerator Lab, Dept Theoret Phys, Batavia, IL 60510 USA. Univ Florida, Inst Fundamental Theory, Gainesville, FL 32611 USA. RP Chung, DJH (reprint author), Univ Wisconsin, Dept Phys, 1150 Univ Ave, Madison, WI 53706 USA. EM danielchung@wisc.edu; leverett@wisc.edu; kckong@fnal.gov; matchev@phys.ufl.edu NR 88 TC 17 Z9 17 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD OCT PY 2007 IS 10 AR 016 PG 34 WC Physics, Particles & Fields SC Physics GA 228VC UT WOS:000250759700095 ER PT J AU Cirigliano, V AF Cirigliano, Vincenzo TI pi/K -> e(nu)over-bar(e) branching ratios to O(e(2)p(4)) in Chiral Perturbation Theory SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE Chiral Lagrangians; weak decays; Kaon physics; rare decays ID LOW-ENERGY CONSTANTS; RADIATIVE-CORRECTIONS; ONE-LOOP; VIRTUAL PHOTONS; DECAYS; UNIVERSALITY; LAGRANGIANS; INTEGRALS; MODEL AB We calculate the ratios R-e/mu((P)) equivalent to Gamma(P -> e (nu) over bar (e)[gamma])/Gamma (P -> mu(nu) over bar (mu)[gamma]) (P = pi,K) in Chiral Perturbation Theory to order e(2)p(4). We complement the one- and two-loop effective theory results with a matching calculation of the local counterterm, performed within the large-Nc expansion. We find R-e/mu((pi)) (1.2352 +/- 0.0001) X 10(-4) and R-e/mu((K)) (2.477 +/- 0.001) x to-5, with uncertainty induced by the matching procedure and chiral power counting. Given the sensitivity of upcoming new measurements, our results provide a clean baseline to detect or constrain effects from weak-scale new physics in these rare decays. As a by-product, we also update the theoretical analysis of the individual pi(K)->(nu) over bar (l) modes. C1 Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. Univ CEU Cardenal Herrera, Dept Ciencias Fis Matemat & Computac, E-46115 Valencia, Spain. RP Cirigliano, V (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM cirigliano@lanl.gov OI Cirigliano, Vincenzo/0000-0002-9056-754X NR 47 TC 31 Z9 31 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD OCT PY 2007 IS 10 AR 005 PG 39 WC Physics, Particles & Fields SC Physics GA 228VC UT WOS:000250759700106 ER PT J AU Cossu, G D'Elia, M Di Giacomo, A Lucini, B Pica, C AF Cossu, Guido D'Elia, Massimo Di Giacomo, Adriano Lucini, Biagio Pica, Claudio TI G(2) gauge theory at finite tempeture SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE confinement; lattice quantum field theory ID CONFINEMENT; TEMPERATURE; VORTICES; MONOPOLES AB The gauge group being centreless, G(2) gauge theory is a good laboratory for studying the role of the centre of the group for colour confinement in Yang-Mills gauge theories. In this paper, we investigate G(2) pure gauge theory at finite temperature on the lattice. By studying the finite size scaling of the plaquette, the Polyakov loop and their susceptibilities, we show that a deconfinement phase transition takes place. The analysis of the pseudocritical exponents give strong evidence of the deconfinement transition being first order. Implications of our findings for scenarios of colour confinement are discussed. C1 Scuola Normale Super Pisa, I-56126 Pisa, Italy. Ist Nazl Fis Nucl, I-56126 Pisa, Italy. Dipartimento Fis, I-16146 Genoa, Italy. Ist Nazl Fis Nucl, I-16146 Genoa, Italy. Univ Coll Swansea, Dept Phys, Swansea SA2 8PP, W Glam, Wales. Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Cossu, G (reprint author), Scuola Normale Super Pisa, Piazza Cavalieri 27, I-56126 Pisa, Italy. EM g.cossu@sns.it; delia@ge.infn.it; adriano.digiacomo@df.unipi.it; b.lucini@swansea.ac.uk; pica@bnl.gov NR 25 TC 27 Z9 27 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD OCT PY 2007 IS 10 AR 100 PG 17 WC Physics, Particles & Fields SC Physics GA 228VC UT WOS:000250759700011 ER PT J AU Kachru, S McAllister, L Sundrum, R AF Kachru, Shamit McAllister, Liam Sundrum, Raman TI Sequestering in string theory SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE gauge-gravity correspondence; superstring vacua; flux compactifications ID CONFORMAL FIELD-THEORIES; CALABI-YAU ORIENTIFOLDS; SUPERSYMMETRY BREAKING; D-BRANES; MODELS; SYMMETRY AB We study sequestering, a prerequisite for flavor-blind supersymmetry breaking in several high-scale mediation mechanisms, in compactifications of type IIB string theory. We find that although sequestering is typically absent in unwarped backgrounds, strongly warped compact ificat ions do readily sequester. The AdS/CFT dual description in terms of conformal sequestering plays an important role in our analysis, and we establish how sequestering works both on the gravity side and on the gauge theory side. We pay special attention to subtle compactification effects that can disrupt sequestering. Our result is a step toward realizing an appealing pattern of soft terms in a KKLT compactification. C1 Stanford Univ, SLAC, Stanford, CA 94305 USA. Stanford Univ, Dept Phys, Stanford, CA 94305 USA. Cornell Univ, Ithaca, NY 14853 USA. Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. RP Kachru, S (reprint author), Stanford Univ, SLAC, 340 Varian Lab, Stanford, CA 94305 USA. EM skachru@stanford.edu; liam@lepp.cornell.edu; sundrum@pha.jhu.edu NR 85 TC 56 Z9 56 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD OCT PY 2007 IS 10 AR 102007013 DI 10.1088/1126-6708/2007/10/013 PG 26 WC Physics, Particles & Fields SC Physics GA 228VC UT WOS:000250759700098 ER PT J AU Rizzo, TG AF Rizzo, Thomas G. TI Contact interactions and resonance-like physics at present and future colliders from unparticles SO JOURNAL OF HIGH ENERGY PHYSICS LA English DT Article DE conformal and W symmetry; beyond standard model AB High scale conformal physics can lead to unusual unparticle stuff at our low energies. In this paper we discus show the exchange of unparticles between Standard Model fields can lead to new contact interaction physics as well as a pseudoresonance-like structure, an unresonance, that might be observable at the Tevatron or LHC in the Drell-Yan channel. The specific signatures of this scenario are quite unique and can be used to easily identify this new physics given sufficient integrated luminosity. C1 Stanford Linear Accelerator Ctr, Menlo Pk, CA 94025 USA. RP Rizzo, TG (reprint author), Stanford Linear Accelerator Ctr, 2575 Sand Hill Rd,Menlo Pk, Menlo Pk, CA 94025 USA. EM rizzo@slac.stanford.edu NR 32 TC 19 Z9 19 U1 0 U2 0 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1029-8479 J9 J HIGH ENERGY PHYS JI J. High Energy Phys. PD OCT PY 2007 IS 10 AR 044 PG 16 WC Physics, Particles & Fields SC Physics GA 228VC UT WOS:000250759700067 ER PT J AU Sharif, HO Crow, W Miller, NL Wood, EF AF Sharif, Hatim O. Crow, W. Miller, N. L. Wood, E. F. TI Multidecadal high-resolution hydrologic modeling of the Arkansas-Red River basin SO JOURNAL OF HYDROMETEOROLOGY LA English DT Article ID PARAMETERIZATION SCHEMES PILPS; DISTRIBUTED PHYSIOGRAPHIC DESCRIPTORS; CONTERMINOUS UNITED-STATES; ATMOSPHERE TRANSFER SCHEME; ENERGY-BALANCE PROCESSES; DAILY SOLAR-RADIATION; SOIL-MOISTURE; CANOPY TEMPERATURE; RESPONSE RELATIONS; WATER AB Land surface heterogeneity and its effects on surface processes have been a concern to hydrologists and climate scientists for the past several decades. The contrast between the fine spatial scales at which heterogeneity is significant (1 km and finer) and the coarser scales at which most climate simulations with land surface models are generated (hundreds of kilometers) remains a challenge, especially when incorporating land surface and subsurface lateral fluxes of mass. In this study, long- term observational land surface forcings and derived solar radiation were used to force high- resolution land surface model simulations over the Arkansas-Red River basin in the Southern Great Plains region of the United States. The most unique aspect of these simulations is the fine space (1 km(2)) and time (hourly) resolutions within the model relative to the total simulation period (51 yr) and domain size (575 000 km(2)). Runoff simulations were validated at the subbasin scale (600-10 000 km(2)) and were found to be in good agreement with observed discharge from several unregulated subbasins within the system. A hydroclimatological approach was used to assess simulated annual evapotranspiration for all subbasins. Simulated evapotranspiration values at the subbasin scale agree well with predictions from a simple one-parameter empirical model developed in this study according to Budyko's concept of "geographical zonality." The empirical model was further extended to predict runoff and evapotranspiration sensitivity to precipitation variability, and good agreement with computed statistics was also found. Both the empirical model and simulation results demonstrate that precipitation variability was amplified in the simulated runoff. The finescale at which the study is performed allows analysis of various aspects of the hydrologic cycle in the system including general trends in precipitation, runoff, and evapotranspiration, their spatial distribution, and the relationship between precipitation anomalies and runoff and soil water storage anomalies at the subbasin scale. C1 Univ Texas San Antonio, San Antonio, TX 78285 USA. USDA ARS, Hydrol & Remote Sensing Lab, Beltsville, MD USA. Univ Calif Berkeley, Lawrence Berkeley Lab, Berkeley, CA 94720 USA. Princeton Univ, Princeton, NJ 08544 USA. RP Sharif, HO (reprint author), Dept Civil & Environm Engn, 6900 N Loop 1604 W, San Antonio, TX 78249 USA. EM hatim.sharif@utsa.edu RI Sharif, Hatim/E-4426-2010; Miller, Norman/E-6897-2010 NR 62 TC 11 Z9 11 U1 0 U2 8 PU AMER METEOROLOGICAL SOC PI BOSTON PA 45 BEACON ST, BOSTON, MA 02108-3693 USA SN 1525-755X EI 1525-7541 J9 J HYDROMETEOROL JI J. Hydrometeorol. PD OCT PY 2007 VL 8 IS 5 BP 1111 EP 1127 DI 10.1175/JHM622.1 PG 17 WC Meteorology & Atmospheric Sciences SC Meteorology & Atmospheric Sciences GA 229HG UT WOS:000250793300010 ER PT J AU Botchev, B Finocchiaro, G Hoffman, J McCarthy, RL Rijssenbeek, M Steffens, J Talalaevskii, A Thioye, M Zdrazil, M Farrell, J Kan, S AF Botchev, B. Finocchiaro, G. Hoffman, J. McCarthy, R. L. Rijssenbeek, M. Steffens, J. Talalaevskii, A. Thioye, M. Zdrazil, M. Farrell, J. Kan, S. TI The high voltage feedthroughs for the ATLAS liquid argon calorimeters SO JOURNAL OF INSTRUMENTATION LA English DT Article DE calorimeters; voltage distributions ID PERFORMANCE AB The purpose, design specifications, construction techniques, and testing methods are described for the high voltage feedthrough ports and filters of the ATLAS Liquid Argon calorimeters. These feedthroughs carry about 5000 high voltage wires from a room temperature environment (300 K) through the cryostat walls to the calorimeters cells (89 K) while maintaining the electrical and cryogenic integrity of the system. The feedthrough wiring and filters operate at a maximum high voltage of 2.5 kV without danger of degradation by corona discharges or radiation at the Large Hadron Collider. C1 [Botchev, B.; Finocchiaro, G.; Hoffman, J.; McCarthy, R. L.; Rijssenbeek, M.; Steffens, J.; Talalaevskii, A.; Thioye, M.; Zdrazil, M.] SUNY Stony Brook, Stony Brook, NY 11794 USA. [Farrell, J.; Kan, S.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Rijssenbeek, M (reprint author), SUNY Stony Brook, Stony Brook, NY 11794 USA. EM michael.rijssenbeek@stonybrook.edu NR 10 TC 2 Z9 2 U1 1 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 1748-0221 J9 J INSTRUM JI J. Instrum. PD OCT PY 2007 VL 2 AR T10002 DI 10.1088/1748-0221/2/10/T10002 PG 20 WC Instruments & Instrumentation SC Instruments & Instrumentation GA 269MC UT WOS:000253652100005 ER PT J AU Dellavalle, RP Schilling, LM Rodriguez, MA Van de Sompel, H Bollen, J AF Dellavalle, R. P. Schilling, L. M. Rodriguez, M. A. Van de Sompel, H. Bollen, J. TI The effect of PageRank adjustment on dermatology journal impact factor SO JOURNAL OF INVESTIGATIVE DERMATOLOGY LA English DT Meeting Abstract CT 37th Annual Meeting of the European-Society-for-Dermatological-Research CY SEP 05-08, 2007 CL Zurich, SWITZERLAND SP European Soc Dermatol Res C1 [Dellavalle, R. P.] Denver VA Med Ctr, Denver, CO USA. [Schilling, L. M.] Univ Colorado, Hlth Sci Ctr, Aurora, CO USA. [Rodriguez, M. A.; Van de Sompel, H.; Bollen, J.] Los Alamos Natl Lab, Los Alamos, NM USA. NR 0 TC 0 Z9 0 U1 0 U2 1 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK STREET, 9TH FLOOR, NEW YORK, NY 10013-1917 USA SN 0022-202X J9 J INVEST DERMATOL JI J. Invest. Dermatol. PD OCT PY 2007 VL 127 SU 2 BP S27 EP S27 PG 1 WC Dermatology SC Dermatology GA 217FI UT WOS:000249933400163 ER EF