FN Thomson Reuters Web of Science™ VR 1.0 PT J AU Kondo, K Yamamoto, T Sekine, M Okamura, M AF Kondo, K. Yamamoto, T. Sekine, M. Okamura, M. TI Laser ion source with solenoid for Brookhaven National Laboratory-electron beam ion source SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID BREAKDOWN AB The electron beam ion source (EBIS) preinjector at Brookhaven National Laboratory (BNL) is a new heavy ion-preinjector for relativistic heavy ion collider (RHIC) and NASA Space Radiation Laboratory (NSRL). Laser ion source (LIS) is a primary ion source provider for the BNL-EBIS. LIS with solenoid at the plasma drift section can realize the low peak current (similar to 400 mu A) with high charge (similar to 10 nC) which is the BNL-EBIS requirement. The gap between two solenoids does not cause serious plasma current decay, which helps us to make up the BNL-EBIS beamline. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3675388] C1 [Kondo, K.; Okamura, M.] Brookhaven Natl Lab, Collider Accelerator Dept, New York, NY USA. [Yamamoto, T.] Waseda Univ, Tokyo, Japan. [Sekine, M.] Tokyo Inst Technol, Dept Nucl Engn, Tokyo 152, Japan. RP Kondo, K (reprint author), Brookhaven Natl Lab, Collider Accelerator Dept, New York, NY USA. EM kkondo@bnl.gov NR 7 TC 4 Z9 4 U1 0 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02B319 DI 10.1063/1.3675388 PN 2 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100153 PM 22380298 ER PT J AU Kondrashev, S Dickerson, C Levand, A Ostroumov, PN Pardo, RC Savard, G Vondrasek, R Alessi, J Beebe, E Pikin, A Kuznetsov, GI Batazova, MA AF Kondrashev, S. Dickerson, C. Levand, A. Ostroumov, P. N. Pardo, R. C. Savard, G. Vondrasek, R. Alessi, J. Beebe, E. Pikin, A. Kuznetsov, G. I. Batazova, M. A. TI Development of electron beam ion source charge breeder for rare isotopes at Californium Rare Isotope Breeder Upgrade SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article AB Recently, the Californium Rare Isotope Breeder Upgrade (CARIBU) to the Argonne Tandem Linac Accelerator System (ATLAS) was commissioned and became available for production of rare isotopes. Currently, an electron cyclotron resonance ion source is used as a charge breeder for CARIBU beams. To further increase the intensity and improve the purity of neutron-rich ion beams accelerated by ATLAS, we are developing a high-efficiency charge breeder for CARIBU based on an electron beam ion source (EBIS). The CARIBU EBIS charge breeder will utilize the state-of-the-art EBIS technology recently developed at Brookhaven National Laboratory (BNL). The electron beam current density in the CARIBU EBIS trap will be significantly higher than that in existing operational charge-state breeders based on the EBIS concept. The design of the CARIBU EBIS charge breeder is nearly complete. Long-lead components of the EBIS such as a 6-T superconducting solenoid and an electron gun have been ordered with the delivery schedule in the fall of 2011. Measurements of expected breeding efficiency using the BNL Test EBIS have been performed using a Cs+ surface ionization ion source for external injection in pulsed mode. In these experiments we have achieved similar to 70% injection/extraction efficiency and breeding efficiency into the most abundant charge state of similar to 17%. (C) 2012 American Institute of Physics. [doi: 10.1063/1.3660823] C1 [Kondrashev, S.; Dickerson, C.; Levand, A.; Ostroumov, P. N.; Pardo, R. C.; Savard, G.; Vondrasek, R.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. [Alessi, J.; Beebe, E.; Pikin, A.] Brookhaven Natl Lab, Collider Accelerator Dept, Upton, NY 11973 USA. [Kuznetsov, G. I.; Batazova, M. A.] Budker Inst Nucl Phys, Novosibirsk 630090, Russia. RP Kondrashev, S (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. EM kondrashev@anl.gov OI Pardo, Richard/0000-0002-8264-9430 NR 10 TC 5 Z9 5 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02A902 DI 10.1063/1.3660823 PN 2 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100098 PM 22380243 ER PT J AU Lettry, J Alessi, J Faircloth, D Gerardin, A Kalvas, T Pereira, H Sgobba, S AF Lettry, J. Alessi, J. Faircloth, D. Gerardin, A. Kalvas, T. Pereira, H. Sgobba, S. TI Investigation of ISIS and Brookhaven National Laboratory ion source electrodes after extended operation SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article AB Linac4 accelerator of Centre Europeen de Recherches Nucleaires is under construction and a RF-driven H- ion source is being developed. The beam current requirement for Linac4 is very challenging: 80 mA must be provided. Cesiated plasma discharge ion sources such as Penning or magnetron sources are also potential candidates. Accelerator ion sources must achieve typical reliability figures of 95% and above. Investigating and understanding the underlying mechanisms involved with source failure or ageing is critical when selecting the ion source technology. Plasma discharge driven surface ion sources rely on molybdenum cathodes. Deformation of the cathode surfaces is visible after extended operation periods. A metallurgical investigation of an ISIS ion source is presented. The origin of the deformation is twofold: Molybdenum sputtering by cesium ions digs few tenths of mm cavities while a growth of molybdenum is observed in the immediate vicinity. The molybdenum growth under hydrogen atmosphere is hard and loosely bound to the bulk. It is, therefore, likely to peel off and be transported within the plasma volume. The observation of the cathode, anode, and extraction electrodes of the magnetron source operated at BNL for two years are presented. A beam simulation of H-, electrons, and Cs- ions was performed with the IBSimu code package to qualitatively explain the observations. This paper describes the operation conditions of the ion sources and discusses the metallurgical analysis and beam simulation results. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3680078] C1 [Lettry, J.; Gerardin, A.; Pereira, H.; Sgobba, S.] CERN, CH-1211 Geneva 23, Switzerland. [Alessi, J.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Faircloth, D.] Rutherford Appleton Lab, Didcot OX11 0QX, Oxon, England. [Kalvas, T.] Univ Jyvaskyla, FI-40014 Jyvaskyla, Finland. RP Lettry, J (reprint author), CERN, CH-1211 Geneva 23, Switzerland. EM Jacques.Lettry@cern.ch NR 4 TC 3 Z9 3 U1 0 U2 5 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02A728 DI 10.1063/1.3680078 PN 2 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100092 PM 22380237 ER PT J AU Liu, Y Gottwald, T Havener, CC Howe, JY Kiggans, J Mattolat, C Vane, CR Wendt, K Beene, JR AF Liu, Y. Gottwald, T. Havener, C. C. Howe, J. Y. Kiggans, J. Mattolat, C. Vane, C. R. Wendt, K. Beene, J. R. TI Laser ion source development at Holifield Radioactive Ion Beam Facility SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID SPECTROSCOPY; TESTS; HRIBF; NI; GE AB This report describes the efforts made to develop a resonant-ionization laser ion source based on tunable Ti:sapphire lasers for nuclear physics and astrophysics research at Holifield Radioactive Ion Beam Facility. Three Ti:sapphire lasers have been upgraded with individual pump lasers to eliminate laser power losses due to synchronization delays. Ionization schemes for 14 elements have been obtained. Off-line studies show that the overall efficiency of the laser ion source can be as high as 40%. TaC surface coatings have been investigated for minimizing surface and bulk trapping of the atoms of interest. (C) 2012 American Institute of Physics. [doi: 10.1063/1.3662476] C1 [Liu, Y.; Havener, C. C.; Beene, J. R.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Gottwald, T.; Mattolat, C.; Vane, C. R.; Wendt, K.] Johannes Gutenberg Univ Mainz, Inst Phys, D-55099 Mainz, Germany. [Howe, J. Y.; Kiggans, J.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Liu, Y (reprint author), Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. EM liuy@ornl.gov RI Wendt, Klaus/D-7306-2011; kiggans, james/E-1588-2017 OI Wendt, Klaus/0000-0002-9033-9336; kiggans, james/0000-0001-5056-665X NR 10 TC 3 Z9 3 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02A904 DI 10.1063/1.3662476 PN 2 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100100 PM 22380245 ER PT J AU Liu, Y Andersson, P Beene, JR Forstner, O Galindo-Uribarri, A Gottwald, T Hanstorp, D Havener, CC Lindahl, AO Wendt, K AF Liu, Y. Andersson, P. Beene, J. R. Forstner, O. Galindo-Uribarri, A. Gottwald, T. Hanstorp, D. Havener, C. C. Lindahl, A. O. Wendt, K. TI Beam purification by photodetachment (invited) SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID NEGATIVE-ION BEAMS; MASS-SPECTROMETRY; SUPPRESSION; COOLER AB Ion beam purity is of crucial importance to many basic and applied studies in nuclear science. Selective photodetachment has been proposed to suppress unwanted species in negative ion beams while preserving the intensity of the species of interest. A highly efficient technique based on photodetachment in a gas-filled radio frequency quadrupole ion cooler has been demonstrated. In off-line experiments with stable ions, up to 10(4) times suppression of the isobar contaminants in a number of interesting radioactive negative ion beams has been demonstrated. For selected species, this technique promises new experimental possibilities in studies on exotic nuclei, accelerator mass spectrometry, and fundamental properties of negative atomic and molecular ions. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3671747] C1 [Liu, Y.; Beene, J. R.; Galindo-Uribarri, A.; Havener, C. C.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Andersson, P.; Forstner, O.] Univ Vienna, Fak Phys, Vera Lab, AT-1090 Vienna, Austria. [Gottwald, T.; Wendt, K.] Johannes Gutenberg Univ Mainz, Inst Phys, D-55099 Mainz, Germany. [Hanstorp, D.; Lindahl, A. O.] Univ Gothenburg, Dept Phys, SE-41296 Gothenburg, Sweden. RP Liu, Y (reprint author), Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. EM liuy@ornl.gov RI Lindahl, Anton/A-5366-2011; Wendt, Klaus/D-7306-2011 OI Lindahl, Anton/0000-0001-6569-2800; Wendt, Klaus/0000-0002-9033-9336 NR 17 TC 0 Z9 0 U1 0 U2 4 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02A711 DI 10.1063/1.3671747 PN 2 PG 5 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100075 PM 22380220 ER PT J AU Lyneis, C Ferracin, P Caspi, S Hodgkinson, A Sabbi, GL AF Lyneis, C. Ferracin, P. Caspi, S. Hodgkinson, A. Sabbi, G. L. TI Concept for a fourth generation electron cyclotron resonance ion source SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID MAGNETS AB A fourth generation electron cyclotron resonance ion source with an operating frequency between 40 and 56 GHz has the potential to quadruple the heavy-ion beam currents and provide a cost effective upgrade path for heavy ion drivers in use or in the planning stage at radioactive beam facilities. Design studies show it is feasible to produce the required magnetic fields in the plasma chamber, 7 T axially and 4 T in the radial direction with a magnetic structure using commercially available Nb3Sn superconducting materials. In this paper we describe the design of such a magnet structure including a 3D analysis of the Lorentz forces generated by the magnetic fields and the necessary clamping structure to stabilize the conductor against these forces. (C) 2012 American Institute of Physics. [doi:10.1063/1.3655527] C1 [Lyneis, C.; Ferracin, P.; Caspi, S.; Hodgkinson, A.; Sabbi, G. L.] Lawrence Berkeley Natl Lab, Berkeley, CA 94708 USA. RP Lyneis, C (reprint author), Lawrence Berkeley Natl Lab, Berkeley, CA 94708 USA. EM cmlyneis@lbl.gov NR 13 TC 7 Z9 7 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02A301 DI 10.1063/1.3655527 PN 2 PG 5 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100003 PM 22380148 ER PT J AU Nikolaev, AG Oks, EM Savkin, KP Yushkov, GY Brown, IG AF Nikolaev, A. G. Oks, E. M. Savkin, K. P. Yushkov, G. Yu. Brown, I. G. TI Upgraded vacuum arc ion source for metal ion implantation SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article AB Vacuum arc ion sources have been made and used by a large number of research groups around the world over the past twenty years. The first generation of vacuum arc ion sources (dubbed "Mevva," for metal vapor vacuum arc) was developed at Lawrence Berkeley National Laboratory in the 1980s. This paper considers the design, performance parameters, and some applications of a new modified version of this kind of source which we have called Mevva-V.Ru. The source produces broad beams of metal ions at an extraction voltage of up to 60 kV and a time-averaged ion beam current in the milliampere range. Here, we describe the Mevva-V.Ru vacuum arc ion source that we have developed at Tomsk and summarize its beam characteristics along with some of the applications to which we have put it. We also describe the source performance using compound cathodes. (C) 2012 American Institute of Physics. [doi:10.1063/1.3655529] C1 [Nikolaev, A. G.; Oks, E. M.; Savkin, K. P.; Yushkov, G. Yu.] Russian Acad Sci, Inst High Current Elect, Siberian Div, Tomsk 634055, Russia. [Brown, I. G.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Nikolaev, AG (reprint author), Russian Acad Sci, Inst High Current Elect, Siberian Div, Tomsk 634055, Russia. EM nik@opee.hcei.tsc.ru RI Oks, Efim/A-9409-2014; Yushkov, Georgy/O-8024-2015; Nikolaev, Alexey/R-2154-2016 OI Oks, Efim/0000-0002-9323-0686; Yushkov, Georgy/0000-0002-7615-6058; Nikolaev, Alexey/0000-0003-2724-3697 NR 8 TC 13 Z9 14 U1 1 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02A501 DI 10.1063/1.3655529 PN 2 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100052 PM 22380197 ER PT J AU Okamura, M Kondo, K Allouche, GG Yamamoto, T AF Okamura, M. Kondo, K. Allouche, G. Gish Yamamoto, T. TI Laser ion source with a double pulse laser system SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article AB To extend an ion beam pulse of a laser ion source, multiple laser shots could be used. To check the feasibility of this idea, we tested double laser irradiations on an iron target. When the interval of the two laser shots is longer than 10 mu s, the obtained ion current profile was expressed as a sum of two individual expanded laser plasmas. However, if the interval is too close, a current reduction was observed. This technique can be effectively applied to low charge state ion production. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3670595] C1 [Okamura, M.; Kondo, K.] Brookhaven Natl Lab, Collider Accelerator Dept, Upton, NY 11973 USA. [Allouche, G. Gish] Bryn Mawr Coll, Bryn Mawr, PA 19010 USA. [Yamamoto, T.] Waseda Univ, Shinjuku Ku, Tokyo 1698555, Japan. RP Okamura, M (reprint author), Brookhaven Natl Lab, Collider Accelerator Dept, Upton, NY 11973 USA. EM okamura@bnl.gov NR 4 TC 1 Z9 2 U1 3 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02B308 DI 10.1063/1.3670595 PN 2 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100142 PM 22380287 ER PT J AU Persaud, A Waldmann, O Kapadia, R Takei, K Javey, A Schenkel, T AF Persaud, Arun Waldmann, Ole Kapadia, Rehan Takei, Kuniharu Javey, Ali Schenkel, Thomas TI A compact neutron generator using a field ionization source SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID EMISSION PROPERTIES; CARBON NANOTUBES AB Field ionization as a means to create ions for compact and rugged neutron sources is pursued. Arrays of carbon nano-fibers promise the high field-enhancement factors required for efficient field ionization. We report on the fabrication of arrays of field emitters with a density up to 10(6) tips/cm(2) and measure their performance characteristics using electron field emission. The critical issue of uniformity is discussed, as are efforts towards coating the nano-fibers to enhance their lifetime and surface properties. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3672437] C1 [Persaud, Arun; Waldmann, Ole; Schenkel, Thomas] EO Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Kapadia, Rehan; Takei, Kuniharu; Javey, Ali] Univ Calif Berkeley, Dept Elect Engn & Comp Sci, Berkeley, CA 94720 USA. RP Persaud, A (reprint author), EO Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM APersaud@lbl.gov RI Kapadia, Rehan/B-4100-2013; Javey, Ali/B-4818-2013 OI Kapadia, Rehan/0000-0002-7611-0551; NR 10 TC 8 Z9 8 U1 3 U2 16 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02B312 DI 10.1063/1.3672437 PN 2 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100146 PM 22380291 ER PT J AU Pikin, A Alessi, J Beebe, E Kponou, A Okamura, M Raparia, D Ritter, J Tan, Y Kuznetsov, G AF Pikin, A. Alessi, J. Beebe, E. Kponou, A. Okamura, M. Raparia, D. Ritter, J. Tan, Y. Kuznetsov, G. TI Ion optics of RHIC electron beam ion source SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article AB RHIC electron beam ion source has been commissioned to operate as a versatile ion source on RHIC injection facility supplying ion species from He to Au for Booster. Except for light gaseous elements RHIC EBIS employs ion injection from several external primary ion sources. With electrostatic optics fast switching from one ion species to another can be done on a pulse to pulse mode. The design of an ion optical structure and the results of simulations for different ion species are presented. In the choice of optical elements special attention was paid to spherical aberrations for high-current space charge dominated ion beams. The combination of a gridded lens and a magnet lens in LEBT provides flexibility of optical control for a wide range of ion species to satisfy acceptance parameters of RFQ. The results of ion transmission measurements are presented. (C) 2012 American Institute of Physics. [doi :10.1063/1.3666915] C1 [Pikin, A.; Alessi, J.; Beebe, E.; Kponou, A.; Okamura, M.; Raparia, D.; Ritter, J.; Tan, Y.] Brookhaven Natl Lab, Upton, NY 11973 USA. [Kuznetsov, G.] Budker Inst Nucl Phys, Novosibirsk 630090, Russia. RP Pikin, A (reprint author), Brookhaven Natl Lab, Upton, NY 11973 USA. EM pikin@bnl.gov NR 8 TC 3 Z9 3 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02A504 DI 10.1063/1.3666915 PN 2 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100055 PM 22380200 ER PT J AU Sekine, M Kondo, K Okamura, M Hayashizaki, N AF Sekine, M. Kondo, K. Okamura, M. Hayashizaki, N. TI A study of H+ production using metal hydride and other compounds by means of laser ion source SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article AB A laser ion source can provide wide variety of ion beams from solid target materials, however, it has been difficult to create proton beam efficiently. We examined capability of proton production using beeswax, polyethylene, and metal hydrides (MgH2 and ZrH2) as target materials. The results showed that beeswax and polyethylene could not be used to produce protons because these targets are transparent to the laser wavelength of 1064 nm. On the other hand, the metal hydrides could supply protons. Although the obtained particle numbers of protons were less than those of the metal ions, the metal hydrides could be used as a target for proton laser ion source. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3675385] C1 [Sekine, M.] Tokyo Inst Technol, Dept Nucl Engn, Meguro Ku, Tokyo 152, Japan. [Sekine, M.] RIKEN, Wako, Saitama, Japan. [Kondo, K.; Okamura, M.] Brookhaven Natl Lab, Collider Accelerator Dept, Upton, NY 11973 USA. [Hayashizaki, N.] Tokyo Inst Technol, Res Lab Nucl Reactors, Meguro Ku, Tokyo 152, Japan. RP Sekine, M (reprint author), Tokyo Inst Technol, Dept Nucl Engn, Meguro Ku, Tokyo 152, Japan. EM sekine.m.ae@m.titech.ac.jp RI Hayashizaki, Noriyosu/C-3448-2015 OI Hayashizaki, Noriyosu/0000-0002-8245-7869 NR 6 TC 4 Z9 4 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02B318 DI 10.1063/1.3675385 PN 2 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100152 PM 22380297 ER PT J AU Stockli, MP Han, BX Hardek, TW Kang, YW Murray, SN Pennisi, TR Piller, C Santana, M Welton, R AF Stockli, Martin P. Han, B. X. Hardek, T. W. Kang, Y. W. Murray, S. N. Pennisi, T. R. Piller, C. Santana, M. Welton, R. TI Producing persistent, high-current, high-duty-factor H- beams for routine 1 MW operation of Spallation Neutron Source (invited) SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID SNS AB Since 2009, the Spallation Neutron Source (SNS) has been producing neutrons with ion beam powers near 1 MW, which requires the extraction of similar to 50 mA H- ions from the ion source with a similar to 5% duty factor. The 50 mA are achieved after an initial dose of similar to 3 mg of Cs and heating the Cs collar to similar to 170 degrees C. The 50 mA normally persist for the entire 4-week source service cycles. Fundamental processes are reviewed to elucidate the persistence of the SNS H- beams without a steady feed of Cs and why the Cs collar temperature may have to be kept near 170 degrees C. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3681921] C1 [Stockli, Martin P.; Han, B. X.; Hardek, T. W.; Kang, Y. W.; Murray, S. N.; Pennisi, T. R.; Piller, C.; Santana, M.; Welton, R.] Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA. RP Stockli, MP (reprint author), Oak Ridge Natl Lab, Spallat Neutron Source, Oak Ridge, TN 37831 USA. EM stockli@sns.gov OI Piller, Chip/0000-0003-4729-9364 NR 14 TC 16 Z9 16 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02A732 DI 10.1063/1.3681921 PN 2 PG 7 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100096 PM 22380241 ER PT J AU Sy, A Ji, Q Persaud, A Waldmann, O Schenkel, T AF Sy, A. Ji, Q. Persaud, A. Waldmann, O. Schenkel, T. TI Novel methods for improvement of a Penning ion source for neutron generator applications SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article AB Penning ion source performance for neutron generator applications is characterized by the atomic ion fraction and beam current density, providing two paths by which source performance can be improved for increased neutron yields. We have fabricated a Penning ion source to investigate novel methods for improving source performance, including optimization of wall materials and electrode geometry, advanced magnetic confinement, and integration of field emitter arrays for electron injection. Effects of several electrode geometries on discharge characteristics and extracted ion current were studied. Additional magnetic confinement resulted in a factor of two increase in beam current density. First results indicate unchanged proton fraction and increased beam current density due to electron injection from carbon nanofiber arrays. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3670744] C1 [Sy, A.; Ji, Q.; Persaud, A.; Waldmann, O.; Schenkel, T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Sy, A.] Univ Calif Berkeley, Dept Nucl Engn, Berkeley, CA 94720 USA. RP Sy, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM asy@lbl.gov NR 8 TC 5 Z9 5 U1 0 U2 8 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02B309 DI 10.1063/1.3670744 PN 2 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100143 PM 22380288 ER PT J AU Toivanen, V Tarvainen, O Lyneis, C Kauppinen, J Komppula, J Koivisto, H AF Toivanen, V. Tarvainen, O. Lyneis, C. Kauppinen, J. Komppula, J. Koivisto, H. TI Electron cyclotron resonance ion source plasma chamber studies using a network analyzer as a loaded cavity probe SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article AB A method and first results utilizing a network analyzer as a loaded cavity probe to study the resonance properties of a plasma filled electron cyclotron resonance ion source (ECRIS) plasma chamber are presented. The loaded cavity measurements have been performed using a dual port technique, in which two separate waveguides were used simultaneously. One port was used to ignite and sustain the plasma with a microwave source operating around 11 GHz and the other was used to probe the cavity properties with the network analyzer using a frequency range around 14 GHz. The first results obtained with the JYFL 14 GHz ECRIS demonstrate that the presence of plasma has significant effects on the resonance properties of the cavity. With plasma the frequency dependent behavior is strongly damped and this trend strengthens with increasing microwave power. (C) 2012 American Institute of Physics. [doi: 10.1063/1.3660818] C1 [Toivanen, V.; Tarvainen, O.; Kauppinen, J.; Komppula, J.; Koivisto, H.] Univ Jyvaskyla, Dept Phys, Jyvaskyla 40500, Finland. [Lyneis, C.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Toivanen, V (reprint author), Univ Jyvaskyla, Dept Phys, Jyvaskyla 40500, Finland. EM ville.toivanen@jyu.fi OI Komppula, Jani/0000-0001-5330-556X NR 8 TC 4 Z9 4 U1 0 U2 0 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02A306 DI 10.1063/1.3660818 PN 2 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100008 PM 22380153 ER PT J AU Vondrasek, R Levand, A Pardo, R Savard, G Scott, R AF Vondrasek, R. Levand, A. Pardo, R. Savard, G. Scott, R. TI Charge breeding results and future prospects with electron cyclotron resonance ion source and electron beam ion source (invited) SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID ATLAS AB The Californium Rare Ion Breeder Upgrade (CARIBU) of the Argonne National Laboratory ATLAS facility will provide low-energy and reaccelerated neutron-rich radioactive beams for the nuclear physics program. A 70 mCi Cf-252 source produces fission fragments which are thermalized and collected by a helium gas catcher into a low-energy particle beam with a charge of 1+ or 2+. An electron cyclotron resonance (ECR) ion source functions as a charge breeder in order to raise the ion charge sufficiently for acceleration in the ATLAS linac. The final CARIBU configuration will utilize a 1 Ci Cf-252 source to produce radioactive beams with intensities up to 10(6) ions/s for use in the ATLAS facility. The ECR charge breeder has been tested with stable beam injection and has achieved charge breeding efficiencies of 3.6% for Na-23(8+), 15.6% for Kr-84(17), and 13.7% for Rb-85(19+) with typical breeding times of 10 ms/charge state. For the first radioactive beams, a charge breeding efficiency of 11.7% has been achieved for Cs-143(27+) and 14.7% for Ba-143(27+). The project has been commissioned with a radioactive beam of Ba-143(27+) accelerated to 6.1 MeV/u. In order to take advantage of its lower residual contamination, an EBIS charge breeder will replace the ECR charge breeder in the next two years. The advantages and disadvantages of the two techniques are compared taking into account the requirements of the next generation radioactive beam facilities. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3673629] C1 [Vondrasek, R.; Levand, A.; Pardo, R.; Savard, G.; Scott, R.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Vondrasek, R (reprint author), Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. EM vondrasek@anl.gov OI Pardo, Richard/0000-0002-8264-9430 NR 22 TC 7 Z9 7 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02A913 DI 10.1063/1.3673629 PN 2 PG 5 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100109 PM 22380254 ER PT J AU Welton, RF Dudnikov, VG Gawne, KR Han, BX Murray, SN Pennisi, TR Roseberry, RT Santana, M Stockli, MP Turvey, MW AF Welton, R. F. Dudnikov, V. G. Gawne, K. R. Han, B. X. Murray, S. N. Pennisi, T. R. Roseberry, R. T. Santana, M. Stockli, M. P. Turvey, M. W. TI H- radio frequency source development at the Spallation Neutron Source SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article AB The Spallation Neutron Source (SNS) now routinely operates nearly 1 MW of beam power on target with a highly persistent similar to 38 mA peak current in the linac and an availability of similar to 90%. H- beam pulses (similar to 1 ms, 60 Hz) are produced by a Cs-enhanced, multicusp ion source closely coupled with an electrostatic low energy beam transport (LEBT), which focuses the 65 kV beam into a radio frequency quadrupole accelerator. The source plasma is generated by RF excitation (2 MHz, similar to 60 kW) of a copper antenna that has been encased with a thickness of similar to 0.7 mim of porcelain enamel and immersed into the plasma chamber. The ion source and LEBT normally have a combined availability of similar to 99%. Recent increases in duty-factor and RF power have made antenna failures a leading cause of downtime. This report first identifies the physical mechanism of antenna failure from a statistical inspection of similar to 75 antennas which ran at the SNS, scanning electron microscopy studies of antenna surface, and cross sectional cuts and analysis of calorimetric heating measurements. Failure mitigation efforts are then described which include modifying the antenna geometry and our acceptance/installation criteria. Progress and status of the development of the SNS external antenna source, a long-term solution to the internal antenna problem, are then discussed. Currently, this source is capable of delivering comparable beam currents to the baseline source to the SNS and, an earlier version, has briefly demonstrated unanalyzed currents up to similar to 100 mA (1 ms, 60 Hz) on the test stand. In particular, this paper discusses plasma ignition (dc and RF plasma guns), antenna reliability, magnet overheating, and insufficient beam persistence. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3678651] C1 [Welton, R. F.; Gawne, K. R.; Han, B. X.; Murray, S. N.; Pennisi, T. R.; Roseberry, R. T.; Santana, M.; Stockli, M. P.] Oak Ridge Natl Lab, Oak Ridge, TN 37830 USA. [Dudnikov, V. G.] Muons Inc, Batavia, IL 60510 USA. [Turvey, M. W.] Villanova Univ, Villanova, PA 19085 USA. RP Welton, RF (reprint author), Oak Ridge Natl Lab, POB 2008, Oak Ridge, TN 37830 USA. EM welton@ornl.gov NR 6 TC 9 Z9 9 U1 1 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02A725 DI 10.1063/1.3678651 PN 2 PG 4 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100089 PM 22380234 ER PT J AU Winklehner, D Leitner, D Benitez, JY Lyneis, CM Strohmeier, MM AF Winklehner, D. Leitner, D. Benitez, J. Y. Lyneis, C. M. Strohmeier, M. M. TI Progress towards the development of a realistic electron cyclotron resonance ion source extraction model SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article AB In this paper, an ongoing effort to provide a simulation and design tool for electron cyclotron resonance ion source extraction and low energy beam transport is described and benchmarked against experimental results. Utilizing the particle-in-cell code WARP, a set of scripts has been developed: A semiempirical method of generating initial conditions, a 2D-3D hybrid method of plasma extraction and a simple beam transport deck. Measured emittances and beam profiles of uranium and helium beams are shown and the influence of the sextupole part of the plasma confinement field is investigated. The results are compared to simulations carried out using the methods described above. The results show that the simulation model (with some additional refinements) represents highly charged, well-confined ions well, but that the model is less applicable for less confined, singly charged ions. (C) 2012 American Institute of Physics. [doi:10.1063/1.3669791] C1 [Winklehner, D.; Leitner, D.] Michigan State Univ, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA. [Benitez, J. Y.; Lyneis, C. M.; Strohmeier, M. M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Winklehner, D (reprint author), Michigan State Univ, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA. EM winklehner@nscl.msu.edu NR 14 TC 0 Z9 0 U1 0 U2 1 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 02B706 DI 10.1063/1.3669791 PN 2 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 910KR UT WOS:000301636100166 PM 22380311 ER PT J AU Dikshit, V Yueh, FY Singh, JP McIntyre, DL Jain, JC Melikechi, N AF Dikshit, Vivek Yueh, Fang-Yu Singh, Jagdish P. McIntyre, Dustin L. Jain, Jinesh C. Melikechi, Nouredine TI Laser induced breakdown spectroscopy: A potential tool for atmospheric carbon dioxide measurement SO SPECTROCHIMICA ACTA PART B-ATOMIC SPECTROSCOPY LA English DT Article DE LIBS; Sensor; Carbon dioxide; Detection; Ambient air ID GAS; ONLINE; LIBS AB Carbon dioxide (CO2) is a main contributor to global warming, making up approximately 80% [1] of the greenhouse gases in the atmosphere. Therefore, a precise measurement of the atmospheric CO2 concentration is essential. Although a number of analytical techniques are available for measuring CO2 in air samples, laser induced breakdown spectroscopy (LIBS) offers a relatively simple and straightforward analysis which is why it was utilized in this study. LIBS requires a simple experimental setup and offers real-time carbon dioxide measurement. The strong C(I) emission line at 247.85 nm was selected for CO2 measurement, which yielded a detection limit of 36 ppm with a pulse energy of 145 mJ. Real-time measurement has been demonstrated: a single measurement can be made in 40 s with a relative standard deviation (RSD) of 3.6%. (C) 2012 Elsevier B.V. All rights reserved. C1 [Dikshit, Vivek; Yueh, Fang-Yu; Singh, Jagdish P.] Mississippi State Univ, Inst Clean Energy Technol, Starkville, MS USA. [McIntyre, Dustin L.; Jain, Jinesh C.] US DOE, Natl Energy Technol Lab, Morgantown, WV USA. [Melikechi, Nouredine] Delaware State Univ, Dept Phys & Preengn, CREOSA, Dover, DE USA. RP Singh, JP (reprint author), Mississippi State Univ, Inst Clean Energy Technol, 205 Res Blvd, Starkville, MS USA. EM singh@icet.msstate.edu FU DESU-NSF [HRD-0630388] FX Authors would like to thank Christopher Ramos and K.E. Eseller for useful discussion during the work. This work was supported by DESU-NSF contract no. HRD-0630388. NR 16 TC 17 Z9 17 U1 3 U2 24 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0584-8547 J9 SPECTROCHIM ACTA B JI Spectroc. Acta Pt. B-Atom. Spectr. PD FEB PY 2012 VL 68 BP 65 EP 70 DI 10.1016/j.sab.2012.01.009 PG 6 WC Spectroscopy SC Spectroscopy GA 921QP UT WOS:000302492500008 ER PT J AU Teran, AA Mullin, SA Hallinan, DT Balsara, NP AF Teran, Alexander A. Mullin, Scott A. Hallinan, Daniel T., Jr. Balsara, Nitash P. TI Discontinuous Changes in Ionic Conductivity of a Block Copolymer Electrolyte through an Order-Disorder Transition SO ACS MACRO LETTERS LA English DT Article ID POLY(ETHYLENE OXIDE)/LII MELTS; MOLECULAR-DYNAMICS SIMULATIONS; MICROPHASE SEPARATION; POLYMER ELECTROLYTES; WEIGHT; TRANSPORT; BATTERIES AB The ionic conductivity of a block copolymer electrolyte was measured in an in situ small-angle X-ray scattering experiment as it transitioned from an ordered lamellar structure to a disordered phase. The ionic conductivity increases discontinuously as the electrolyte transitions from order to disorder. A simple framework for quantifying the magnitude of the discontinuity is presented. This study lays the groundwork for understanding the effect of more complex phase transitions such as order-order transitions on ion transport. C1 [Teran, Alexander A.; Mullin, Scott A.; Hallinan, Daniel T., Jr.; Balsara, Nitash P.] Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Balsara, Nitash P.] Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Teran, Alexander A.; Mullin, Scott A.; Hallinan, Daniel T., Jr.; Balsara, Nitash P.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. RP Balsara, NP (reprint author), Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. EM nbalsara@berkeley.edu OI Hallinan, Daniel/0000-0002-3819-0992 FU Office of Vehicle Technologies of the U.S. Department of Energy [DE-AC02-05CH11231]; National Science Foundation [DMR 0966626]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX The synthesis and characterization of the polymer were supported by the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy under contract no. DE-AC02-05CH11231 under the Batteries for Advanced Transportation Technologies (BATT) Program. The in situ SAXS measurements were supported by the National Science Foundation (DMR 0966626). AAT was supported by a National Science Foundation Graduate Research Fellowship. SAXS experiments were performed at the Advanced Light Source, a user facility at Lawrence Berkeley National Laboratory, supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract DE-AC02-05CH11231. NR 20 TC 23 Z9 23 U1 7 U2 49 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 2161-1653 J9 ACS MACRO LETT JI ACS Macro Lett. PD FEB PY 2012 VL 1 IS 2 BP 305 EP 309 DI 10.1021/mz200183t PG 5 WC Polymer Science SC Polymer Science GA 914RN UT WOS:000301969500011 ER PT J AU Balogh, L Capolungo, L Tome, CN AF Balogh, L. Capolungo, L. Tome, C. N. TI On the measure of dislocation densities from diffraction line profiles: A comparison with discrete dislocation methods SO ACTA MATERIALIA LA English DT Article DE Line profile analysis; X-ray; Dislocations ID X-RAY-DIFFRACTION; PLASTICALLY DEFORMED-CRYSTALS; SINGLE-CRYSTALS; ELASTIC FIELD; DEFORMATION; MICROSTRUCTURE; DISTRIBUTIONS; POLYCRYSTALS; TEMPERATURE; EVOLUTION AB In this work the accuracy and range of applicability of peak broadening models, from which dislocation densities can be extracted, is studied. For that purpose dislocation microstructures are generated via a discrete dislocation dynamics method and the internal elastic strains within the simulated volume are calculated. Diffraction peaks are generated from the simulations and a whole pattern line profile analysis method based on the Wilkens model is used to quantify the dislocation densities associated with the simulated microstructures. The work is applied to the case of face-centered cubic crystals deforming in coplanar slip. The accuracy of the analytical models is quantified by considering realistic three-dimensional microstructures containing curved dislocations with a specified distribution. The dependence and sensitivity of the analytical models upon dislocation density and long-range order are investigated. It was found that, provided the distribution of dislocations is rather homogeneous, line profile analysis provides fairly accurate predictions of the dislocation density. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Capolungo, L.] UMI 2958 Georgia Tech CNRS, Georgia Inst Technol Lorraine, George Woodruff Sch Mech Engn, F-57070 Metz, France. [Balogh, L.; Tome, C. N.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Capolungo, L (reprint author), UMI 2958 Georgia Tech CNRS, Georgia Inst Technol Lorraine, George Woodruff Sch Mech Engn, F-57070 Metz, France. EM lcapolun@georgiatech-metz.fr RI Tome, Carlos/D-5058-2013; Balogh, Levente/S-1238-2016 FU Office of Basic Energy Sciences under US DOE [FWP 06SCPE401, W-7405-ENG-36] FX The authors would like to acknowledge support from Office of Basic Energy Sciences, Project FWP 06SCPE401, under US DOE Contract No. W-7405-ENG-36. The authors would also like to thank Tamas Ungar for critical reading of the manuscript and helpful comments. NR 62 TC 14 Z9 14 U1 3 U2 27 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 1359-6454 J9 ACTA MATER JI Acta Mater. PD FEB PY 2012 VL 60 IS 4 BP 1467 EP 1477 DI 10.1016/j.actamat.2011.10.037 PG 11 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 914YK UT WOS:000301989500004 ER PT J AU Wang, J Misra, A Hoagland, RG Hirth, JP AF Wang, J. Misra, A. Hoagland, R. G. Hirth, J. P. TI Slip transmission across fcc/bcc interfaces with varying interface shear strengths SO ACTA MATERIALIA LA English DT Article DE Dislocation; Interfaces; Slip transmission; Atomistic modeling ID MINIMUM ENERGY PATHS; ELASTIC BAND METHOD; METALLIC MULTILAYERS; DISLOCATION NUCLEATION; DEFORMATION MECHANISMS; NANOSTRUCTURED METALS; ATOMISTIC SIMULATIONS; BICRYSTAL INTERFACES; LAYERED COMPOSITES; SCREW DISLOCATION AB Interfaces with relatively low shear strengths can be strong barriers to slip transmission because of core spreading of the dislocation within the interface. Using atomistic modeling and elasticity-based calculations we have studied the influence of interface shear strength on the slip transmission of a single dislocation across fcc/bcc interfaces. "Tunable" interatomic potentials were employed to vary the interface shear strength for the same interface crystallography. The results show that the slip transmission barrier increases with decreasing shear strength of the interface. The results reveal a mechanism for the variations in ultra-high strengths observed in nanoscale fcc/bcc multilayers. Published by Elsevier Ltd. on behalf of Acta Materialia Inc. C1 [Wang, J.; Hoagland, R. G.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. [Misra, A.; Hirth, J. P.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. RP Wang, J (reprint author), Los Alamos Natl Lab, Div Mat Sci & Technol, MST 8, Los Alamos, NM 87545 USA. EM wangj6@lanl.gov RI Misra, Amit/H-1087-2012; Hoagland, Richard/G-9821-2012; Wang, Jian/F-2669-2012 OI Wang, Jian/0000-0001-5130-300X FU US Department of Energy, Office of Science, Office of Basic Sciences; LDRD-ER20110573 FX This work was fully supported by the US Department of Energy, Office of Science, Office of Basic Sciences. J.W. is also grateful for support provided by the Project LDRD-ER20110573. NR 49 TC 47 Z9 48 U1 5 U2 54 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 FEB PY 2012 VL 60 IS 4 BP 1503 EP 1513 DI 10.1016/j.actamat.2011.11.047 PG 11 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 914YK UT WOS:000301989500007 ER PT J AU Carpenter, JS Vogel, SC LeDonne, JE Hammon, DL Beyerlein, IJ Mara, NA AF Carpenter, J. S. Vogel, S. C. LeDonne, J. E. Hammon, D. L. Beyerlein, I. J. Mara, N. A. TI Bulk texture evolution of Cu-Nb nanolamellar composites during accumulative roll bonding SO ACTA MATERIALIA LA English DT Article DE Texture; Metal; Multilayer; Nanocomposite; Accumulative roll bonding ID CHANNEL ANGULAR EXTRUSION; NEUTRON-DIFFRACTION; NANOLAYERED COMPOSITES; MECHANICAL-PROPERTIES; PLASTIC-DEFORMATION; TOF DIFFRACTOMETER; CU/NB MULTILAYERS; MODELING TEXTURE; PROCESSING ROUTE; GRAIN-REFINEMENT AB A combination of accumulative roll bonding (ARB) and rolling is used to fabricate nanolamellar Cu-Nb multilayers with individual layer thicknesses (h) of 600 mu m >= h >= 10 nm with a total strain imposed between 0.5 and 11.6. Neutron diffraction, scanning electron microscopy and transmission electron microscopy are used to characterize the microstructures and measure orientation distribution functions of both phases as a function of layer thickness. Fiber plots are calculated from the orientation distribution functions in order to understand the texture evolution in the Cu and Nb layers with increasing strain. Results are compared with rolling studies of single phase Cu, single phase Nb, and cast Cu-20 wt.% Nb composite. Results indicate that textures develop in the Cu and Nb layers during ARB that are distinct from classical rolling textures frequently observed both in their single-phase counterparts and in rolled composites. The atypical texture that develops shows a preferential strengthening of specific beta fiber components at the expense of others in Cu and a strengthening of the alpha fiber at the expense of the gamma fiber in Nb. No dynamic recrystallization is observed in Cu, even at strains above 99.99%, further delineating the behavior from single phase and composite behavior previously observed. Viscoplastic self-consistent (VPSC) polycrystal simulations were carried out to provide an understanding of the texture evolution in accumulative roll bonding. Enforcing planar slip in Cu leads to texture evolution for VPSC consistent with observations. A reasonable fit for Nb could be produced via the selection of specific {1 1 0} and {1 1 2} slip systems. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Carpenter, J. S.; Vogel, S. C.; Hammon, D. L.; Beyerlein, I. J.; Mara, N. A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [LeDonne, J. E.] Carnegie Mellon Univ, Pittsburgh, PA 15213 USA. RP Carpenter, JS (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. EM carpenter@lanl.gov RI Lujan Center, LANL/G-4896-2012; Beyerlein, Irene/A-4676-2011; Mara, Nathan/J-4509-2014; OI Vogel, Sven C./0000-0003-2049-0361; Carpenter, John/0000-0001-8821-043X; Mara, Nathan/0000-0002-9135-4693 FU Los Alamos National Laboratory Directed Research and Development (LDRD) [DR20110029]; Office of Basic Energy Sciences (DOE); DOE [DE AC52 06NA25396] FX The authors are grateful for valuable discussions with Prof. A.D. Rollett of Carnegie Mellon University, Dr S. Lim of the Singapore Institute of Manufacturing Technology, and Dr A. Kanjarla of LANL. The authors also acknowledge F. Bachmann (Bergakademie Freiberg, Germany) for development of the script to symmetrize pole figures in mtex. They also appreciate the helpful comments made by the anonymous referee. This work was funded through Los Alamos National Laboratory Directed Research and Development (LDRD) Project DR20110029. This work has benefited from the use of the Lujan Neutron Scattering Center at LANSCE, which is funded by the Office of Basic Energy Sciences (DOE). Los Alamos National Laboratory is operated by Los Alamos National Security LLC under DOE Contract DE AC52 06NA25396. NR 61 TC 87 Z9 87 U1 7 U2 74 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 FEB PY 2012 VL 60 IS 4 BP 1576 EP 1586 DI 10.1016/j.actamat.2011.11.045 PG 11 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 914YK UT WOS:000301989500013 ER PT J AU Battaile, CC Boyce, BL Weinberger, CR Prasad, SV Michael, JR Clark, BG AF Battaile, Corbett C. Boyce, Brad L. Weinberger, Christopher R. Prasad, Somuri V. Michael, Joseph R. Clark, Blythe G. TI The hardness and strength of metal tribofilms: An apparent contradiction between nanoindentation and pillar compression SO ACTA MATERIALIA LA English DT Article DE Wear; Deformation structure; Dislocations; Compression test; Nanoindentation ID STRAIN GRADIENT PLASTICITY; DISLOCATION NUCLEATION; SINGLE-CRYSTAL; SIZE; SIMULATIONS; NICKEL; SCALE; WEAR; DEFORMATION; NANOPILLARS AB After sliding contact of a hard spherical counterface on a metal surface, the resulting wear scar possesses a complex microstructure consisting of dislocations, dislocation cells, ultrafine or nanocrystalline grains, and material that has undergone dynamic recovery. There remains a controversy as to the mechanical properties of the tribolayer formed in this wear scar. To investigate the properties of this thin layer of damaged material in single crystal nickel, we employed two complementary techniques: pillar compression and nanoindentation. In both techniques, the tests were tailored to characterize the near surface properties associated with the top 500 nm of material, where the wear-induced damage was most extensive. Pillar compression indicated that the worn material was substantially softer than neighboring unworn base metal. However, nanoindentation showed that the wear track was substantially harder than the base metal. These apparently contradictory results are explained on the basis of source limited deformation. The worn pillars are softer than unworn pillars due to a pre-straining effect: undefected pillars are nearly free of dislocations, whereas worn pillars have pre-existing dislocations built in. Nanoindentation in worn material behaves harder than unworn single crystal nickel due to source length reduction from the fine-grained wear structure. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Battaile, Corbett C.; Boyce, Brad L.; Weinberger, Christopher R.; Prasad, Somuri V.; Michael, Joseph R.; Clark, Blythe G.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Battaile, CC (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM ccbatta@sandia.gov RI Boyce, Brad/H-5045-2012; Weinberger, Christopher/E-2602-2011 OI Boyce, Brad/0000-0001-5994-1743; Weinberger, Christopher/0000-0001-9550-6992 FU US Department of Energy, Office of Basic Energy Sciences; United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors thank Luke N. Brewer, Thomas E. Buchheit, Thomas W. Scharf, Rand D. Garfield, Alice C. Kilgo, Bonnie B. McKenzie and Michael J. Rye for their contributions to this work. B.L.B. and B.G.C. are supported by the US Department of Energy, Office of Basic Energy Sciences. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 47 TC 7 Z9 7 U1 2 U2 38 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 FEB PY 2012 VL 60 IS 4 BP 1712 EP 1720 DI 10.1016/j.actamat.2011.11.059 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 914YK UT WOS:000301989500027 ER PT J AU Lee, SB LeDonne, JE Lim, SCV Beyerlein, IJ Rollett, AD AF Lee, S. -B. LeDonne, J. E. Lim, S. C. V. Beyerlein, I. J. Rollett, A. D. TI The heterophase interface character distribution of physical vapor-deposited and accumulative roll-bonded Cu-Nb multilayer composites SO ACTA MATERIALIA LA English DT Article DE Cu-Nb composites; Accumulated roll bonding; Electron backscattering diffraction; Heterophase interface character distribution ID GRAIN-BOUNDARY-CHARACTER; 5 MACROSCOPIC PARAMETERS; HIGH-STRENGTH; MECHANICAL-PROPERTIES; METALLIC MULTILAYERS; DEFORMATION MECHANISMS; PLASTIC-DEFORMATION; LAYERED COMPOSITES; TEXTURE EVOLUTION; WEAK INTERFACES AB We present a method for characterizing the full five parameter heterophase interface character distributions (HICD) using two-dimensional electron back-scatter diffraction (EBSD) images. We apply the HICD method to determine the orientation relationships and three-dimensional normal vectors of Cu-Nb interfaces in both physical vapor-deposited (PVD) pure Cu-Nb (4 mu m individual layer thickness) and accumulative roll-bonded (ARB) alloyed Cu-Nb multilayer composites (200-600 nm layer thickness). The HICD analysis shows that {112}(Cu) planes arc most preferentially and frequently bonded with {112)(Nb) planes with Kurdjumov-Sachs and Nishiyama-Wasserman misorientations in the ARB alloyed Cu-Nb multilayers. These interfaces differ from the {111}(Cu)parallel to{110}(Nb) interfaces predominantly found in the PVD pure Cu-Nb multilayered thin films. Also, pure tilt type interfaces with a [111]/30 degrees misorientation and {110}(Cu) planes bonded to {112}(Nb) planes were found in ARB alloyed Cu-Nb multilayers. In the ARB material the observed Cu-Nb interfaces differ from what would be obtained from random pairings of the Cu and Nb orientations in terms of the relative intensities (in multiples of random distribution) and shapes of the interface normal peaks, which indicates that these interfaces were preferentially selected during the high strain ARB process. The measured ARB textures along the interface also differ from the theoretical rolling textures for each bulk single phase metal, suggesting that during ARB layer refinement these interfaces have some influence on slip activity by constraining grain deformation or through the kinetics of dislocation interface interactions. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Lee, S. -B.; LeDonne, J. E.; Rollett, A. D.] Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15232 USA. [Lim, S. C. V.] ASTAR, Singapore Inst Mfg Technol, Singapore 638075, Singapore. [Beyerlein, I. J.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. RP Lee, SB (reprint author), Carnegie Mellon Univ, Dept Mat Sci & Engn, 5000 Forbes Ave, Pittsburgh, PA 15232 USA. EM sukbin@andrew.cmu.edu RI Rollett, Anthony/A-4096-2012; LEE, SUKBIN/A-4936-2012; Beyerlein, Irene/A-4676-2011 OI Rollett, Anthony/0000-0003-4445-2191; FU US Department of Energy, Office of Science, Office of Basic Energy Sciences [2008LANL1026]; MRSEC at CMU under NSF [DMR-0520425] FX J.E.L., I.J.B., and A.D.R. acknowledge support for the analysis and modeling provided in part by the Center for Materials at Irradiation and Mechanical Extremes, an Energy Frontier Research Center funded by the US Department of Energy, Office of Science, Office of Basic Energy Sciences under Award No. 2008LANL1026. This work was supported in part by the MRSEC at CMU under NSF Award No. DMR-0520425. The authors are grateful to Prof. P. Wynblatt at CMU and Prof. M.J. Demkowicz at MIT for valuable discussions. NR 57 TC 57 Z9 57 U1 4 U2 57 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 FEB PY 2012 VL 60 IS 4 BP 1747 EP 1761 DI 10.1016/j.actamat.2011.12.007 PG 15 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 914YK UT WOS:000301989500031 ER PT J AU Brandes, MC Kovarik, L Miller, MK Daehn, GS Mills, MJ AF Brandes, M. C. Kovarik, L. Miller, M. K. Daehn, G. S. Mills, M. J. TI Creep behavior and deformation mechanisms in a nanocluster strengthened ferritic steel SO ACTA MATERIALIA LA English DT Article DE Oxide dispersion strengthened steel; Creep; High resolution scanning transmission electron microscopy; Dislocation glide; Kocks-Argon-Ashby model ID ELASTIC-CONSTANTS; HIGH-TEMPERATURES; SCREW DISLOCATIONS; SELF-DIFFUSION; ODS STEELS; CR ALLOYS; STABILITY; IRON; MODULI; TI AB Mechanically alloyed, nanostructured ferritic steels represent a class of alloys that can display high resistance to radiation and creep deformation, which are derived from the presence of nanoclusters, precipitates and solute segregation to the grain boundaries. The creep responses for a 14YWT nanostructured ferritic steel were measured over a range of temperatures and stress levels. The stress exponent was observed to vary non-linearly with applied stress; stress exponents were found to decrease with decreasing stress approaching unity at low stress. Transmission electron microscopy studies clearly demonstrated that creep deformation proceeds by a dislocation glide within nanoscale grains and that glide dislocations are attracted to and pinned by nanoclusters. In light of these observations, a new model of the creep response, inspired by the Kocks-Argon-Ashby model, is developed to explain the low creep rates and small stress exponents that are exhibited by these alloys. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Brandes, M. C.; Kovarik, L.; Daehn, G. S.; Mills, M. J.] Ohio State Univ, Columbus, OH 43210 USA. [Miller, M. K.] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. RP Brandes, MC (reprint author), Ohio State Univ, Columbus, OH 43210 USA. EM ms_brandes@matsceng.ohio-state.edu RI Mills, Michael/I-6413-2013; Kovarik, Libor/L-7139-2016; OI Daehn, Glenn/0000-0002-5493-7902 FU US Department of Energy, Materials Sciences and Engineering Division, Office of Basic Energy Sciences [DE-AC05-00OR22725] FX The authors thank Dr. D.T. Hoelzer for supplying the material used in this study, and Dr. Joachim Schneibel for providing his specimens for TEM examination. In addition, the authors thank Professor H.L. Fraser for allowing access to the Fischione 1040 Nanomill (R), which allowed for the preparation of the highest-quality TEM specimens. This research was sponsored by the US Department of Energy, Materials Sciences and Engineering Division, Office of Basic Energy Sciences, under Contract No. DE-AC05-00OR22725. NR 65 TC 28 Z9 28 U1 2 U2 49 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 FEB PY 2012 VL 60 IS 4 BP 1827 EP 1839 DI 10.1016/j.actamat.2011.11.057 PG 13 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 914YK UT WOS:000301989500038 ER PT J AU Bird, JLE Jennert-Burston, KCB Bachler, MA Mason, PA Lowe, JE Heo, SJ Campisi, J Faragher, RGA Cox, LS AF Bird, Joseph L. E. Jennert-Burston, Katrin C. B. Bachler, Marcus A. Mason, Penelope A. Lowe, Jill E. Heo, Seok-Jin Campisi, Judith Faragher, Richard G. A. Cox, Lynne S. TI Recapitulation of Werner syndrome sensitivity to camptothecin by limited knockdown of the WRN helicase/exonuclease SO BIOGERONTOLOGY LA English DT Article DE Werner syndrome; WRN; RecQ; Camptothecin; Topoisomerase; RNAi; Ribozyme; Aging; Cancer ID REPLICATION FORK PROGRESSION; SYNDROME PROTEIN; SYNDROME GENE; DNA-DAMAGE; RNA INTERFERENCE; CANCER-CELLS; S-PHASE; HELICASE; EXONUCLEASE; FIBROBLASTS AB WRN is a RecQ helicase with an associated exonuclease activity important in DNA metabolism, including DNA replication, repair and recombination. In humans, deficiencies in WRN function cause the segmental progeroid Werner syndrome (WS), in which patients show premature onset of many hallmarks of normal human ageing. At the cellular level, WRN loss results in rapid replicative senescence, chromosomal instability and sensitivity to various DNA damaging agents including the topoisomerase inhibitor, camptothecin (CPT). Here, we investigate the potential of using either transient or stable WRN knockdown as a means of sensitising cells to CPT. We show that targeting WRN mRNA for degradation by either RNAi or hammerhead ribozyme catalysis renders human fibroblasts as sensitive to CPT as fibroblasts derived from WS patients, and furthermore, we find altered cell cycle transit and nucleolar destabilisation in these cells following CPT treatment. Such WS-like phenotypes are observed despite very limited decreases in total WRN protein, suggesting that levels of WRN protein are rate-limiting for the cellular response to camptothecin. These findings have major implications for development of anti-WRN agents that may be useful in sensitising tumour cells to clinically relevant topoisomerase inhibitors. C1 [Bachler, Marcus A.; Mason, Penelope A.; Cox, Lynne S.] Univ Oxford, Dept Biochem, Oxford OX1 3QU, England. [Heo, Seok-Jin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Campisi, Judith] Buck Inst Res Aging, Novato, CA USA. [Bird, Joseph L. E.; Jennert-Burston, Katrin C. B.; Lowe, Jill E.; Faragher, Richard G. A.] Univ Brighton, Sch Pharm & Biomol Sci, Brighton, E Sussex, England. RP Cox, LS (reprint author), Univ Oxford, Dept Biochem, S Parks Rd, Oxford OX1 3QU, England. EM lynne.cox@bioch.ox.ac.uk FU BBSRC [107/EGH16152, 107/ERA16270, BB/E000924/1, 43/ERA16310]; ESRC (under the cross-council New Dynamics of Ageing initiative) [ES/G037086/1]; NIH [AG024399] FX We thank Mrs Christine Borer for technical support to LSC and MAB. This work was funded by the BBSRC grants [107/EGH16152 and 107/ERA16270] to RGAF, JLEB, KJ-B and JL, BBSRC grants [BB/E000924/1] and [43/ERA16310] and ESRC programme grant [ES/G037086/1] (under the cross-council New Dynamics of Ageing initiative) to LSC, and NIH grant AG024399 to JC. NR 39 TC 1 Z9 1 U1 3 U2 8 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1389-5729 J9 BIOGERONTOLOGY JI Biogerontology PD FEB PY 2012 VL 13 IS 1 SI SI BP 49 EP 62 DI 10.1007/s10522-011-9341-8 PG 14 WC Geriatrics & Gerontology SC Geriatrics & Gerontology GA 912XR UT WOS:000301835200005 PM 21786128 ER PT J AU Zaeem, MA Yin, HB Felicelli, SD AF Zaeem, Mohsen Asle Yin, Hebi Felicelli, Sergio D. TI Comparison of Cellular Automaton and Phase Field Models to Simulate Dendrite Growth in Hexagonal Crystals SO JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY LA English DT Article DE Dendrite growth; Cellular automaton; Phase-field model; Finite element; Magnesium alloy ID FINITE-ELEMENT-METHOD; CAST MAGNESIUM ALLOY; SOLIDIFICATION MICROSTRUCTURES; MULTICOMPONENT ALLOYS; NUMERICAL-SIMULATION; COMPUTER-SIMULATION; GRAIN STRUCTURES; TERNARY ALLOYS; PREDICTION; EVOLUTION AB A cellular automaton (CA)-finite element (FE) model and a phase field (PF)-FE model were used to simulate equiaxed dendritic growth during the solidification of hexagonal metals. In the CA-FE model, the conservation equations of mass and energy were solved in order to calculate the temperature field, solute concentration, and the dendritic growth morphology. CA-FE simulation results showed reasonable agreement with the previously reported experimental data on secondary dendrite arm spacing (SDAS) vs cooling rate. In the PF model, a PF variable was used to distinguish solid and liquid phases similar to the conventional PF models for solidification of pure materials. Another PF variable was considered to determine the evolution of solute concentration. Validation of both models was performed by comparing the simulation results with the analytical model developed by Lipton-Glicksman-Kurz (LGK), showing quantitatively good agreement in the tip growth velocity at a given melt undercooling. Application to magnesium alloy AZ91 (approximated with the binary Mg-8.9 wt% Al) illustrates the difficulty of modeling dendrite growth in hexagonal systems using CA-FE regarding mesh-induced anisotropy and a better performance of PF-FE in modeling multiple arbitrarily-oriented dendrites growth. C1 [Zaeem, Mohsen Asle; Felicelli, Sergio D.] Mississippi State Univ, Ctr Adv Vehicular Syst, Starkville, MS 39759 USA. [Zaeem, Mohsen Asle; Felicelli, Sergio D.] Mississippi State Univ, Dept Mech Engn, Starkville, MS 39759 USA. [Yin, Hebi] Oak Ridge Natl Lab, Mat Proc Grp, Oak Ridge, TN 37831 USA. RP Zaeem, MA (reprint author), Mississippi State Univ, Ctr Adv Vehicular Syst, Starkville, MS 39759 USA. EM mohsen@cavs.msstate.edu OI Asle Zaeem, Mohsen/0000-0002-5164-6122 FU National Science Foundation (USA) [CBET-0931801]; Department of Energy (USA) [DE-FC-26-06NT42755]; Center for Advanced Vehicular Systems (CAVS) of Mississippi State University FX This work was supported by the National Science Foundation (USA) through Grant No. CBET-0931801 and the Department of Energy (USA) through cooperative agreement No. DE-FC-26-06NT42755. The authors also appreciate the sponsorship of the Center for Advanced Vehicular Systems (CAVS) of Mississippi State University. NR 62 TC 19 Z9 21 U1 4 U2 23 PU JOURNAL MATER SCI TECHNOL PI SHENYANG PA 72 WENHUA RD, SHENYANG 110015, PEOPLES R CHINA SN 1005-0302 J9 J MATER SCI TECHNOL JI J. Mater. Sci. Technol. PD FEB PY 2012 VL 28 IS 2 BP 137 EP 146 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 910ID UT WOS:000301629500007 ER PT J AU Sakamoto, FH Doukas, AG Farinelli, WA Tannous, Z Shinn, M Benson, S Williams, GP Gubeli, JF Dylla, HF Anderson, RR AF Sakamoto, Fernanda H. Doukas, Apostolos G. Farinelli, William A. Tannous, Zeina Shinn, Michelle Benson, Steve Williams, Gwyn P. Gubeli, Joseph F., III Dylla, H. Frederick Anderson, R. Rox TI Selective photothermolysis to target sebaceous glands: Theoretical estimation of parameters and preliminary results using a free electron laser SO LASERS IN SURGERY AND MEDICINE LA English DT Article DE acne; free electron laser; in vitro; light; laser; therapy; spectroscopy; near infrared; Monte Carlo method ID PULSED-DYE-LASER; FACIAL ACNE-VULGARIS; RANDOMIZED CONTROLLED-TRIAL; DIODE-LASER; TISSUES; PREVALENCE; SKIN AB Background and Objectives The success of permanent laser hair removal suggests that selective photothermolysis (SP) of sebaceous glands, another part of hair follicles, may also have merit. About 30% of sebum consists of fats with copious CH2 bond content. SP was studied in vitro, using free electron laser (FEL) pulses at an infrared CH2 vibrational absorption wavelength band. Methods: Absorption spectra of natural and artificially prepared sebum were measured from 200 to 3,000 nm, to determine wavelengths potentially able to target sebaceous glands. The Jefferson National Accelerator superconducting FEL was used to measure photothermal excitation of aqueous gels, artificial sebum, pig skin, human scalp, and forehead skin (sebaceous sites). In vitro skin samples were exposed to FEL pulses from 1,620 to 1,720 nm, spot diameter 7-9.5 mm with exposure through a cold 48C sapphire window in contact with the skin. Exposed and control tissue samples were stained using H& E, and nitroblue tetrazolium chloride staining (NBTC) was used to detect thermal denaturation. Results: Natural and artificial sebum both had absorption peaks near 1,210, 1,728, 1,760, 2,306 and 2,346 nm. Laser-induced heating of artificial sebum was approximately twice that of water at 1,710 and 1,720 nm, and about 1.5 x higher in human sebaceous glands than in water. Thermal camera imaging showed transient focal heating near sebaceous hair follicles. Histologically, skin samples exposed to similar to 1,700 nm, similar to 100-125 milliseconds pulses showed evidence of selective thermal damage to sebaceous glands. Sebaceous glands were positive for NBTC staining, without evidence of selective loss in samples exposed to the laser. Epidermis was undamaged in all samples. Conclusions: SP of sebaceous glands appears to be feasible. Potentially, optical pulses at similar to 1,720 or similar to 1,210 nm delivered with large beam diameter and appropriate skin cooling in approximately 0.1 seconds may provide an alternative treatment for acne. Lasers Surg. Med. 44: 175-183, 2012. (C) 2011 Wiley Periodicals, Inc. C1 [Sakamoto, Fernanda H.; Doukas, Apostolos G.; Farinelli, William A.; Tannous, Zeina; Anderson, R. Rox] Massachusetts Gen Hosp, Dept Dermatol, Wellman Ctr Photomed, Boston, MA 02114 USA. [Sakamoto, Fernanda H.; Doukas, Apostolos G.; Farinelli, William A.; Tannous, Zeina; Anderson, R. Rox] Harvard Univ, Sch Med, Dept Dermatol, Boston, MA 02114 USA. [Tannous, Zeina] Lebanese Amer Univ, Rizk Hosp, Univ Med Ctr, Dept Dermatol, Beirut, Lebanon. [Shinn, Michelle; Benson, Steve; Williams, Gwyn P.; Gubeli, Joseph F., III] Thomas Jefferson Natl Accelerator Facil, Newport News, VA 23606 USA. [Dylla, H. Frederick] Amer Inst Phys, College Pk, MD 20740 USA. RP Anderson, RR (reprint author), 55 Fruit St,BHX 630, Boston, MA 02114 USA. EM rranderson@partners.org FU Medical Free Electron Laser Research Program; AFOSR, US Department of Defense [FA 9550-04-1-0079]; Office of Naval Research; Commonwealth of Virginia FX Contract grant sponsor: Medical Free Electron Laser Research Program; Contract grant sponsor: AFOSR, US Department of Defense; Contract grant number: FA 9550-04-1-0079; Contract grant sponsor: Office of Naval Research; Contract grant sponsor: Commonwealth of Virginia. NR 30 TC 17 Z9 18 U1 0 U2 12 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0196-8092 J9 LASER SURG MED JI Lasers Surg. Med. PD FEB PY 2012 VL 44 IS 2 BP 175 EP 183 DI 10.1002/lsm.21132 PG 9 WC Dermatology; Surgery SC Dermatology; Surgery GA 897WN UT WOS:000300691200015 PM 22170298 ER PT J AU Shi, TJ Zhou, JY Gritsenko, MA Hossain, M Camp, DG Smith, RD Qian, WJ AF Shi, Tujin Zhou, Jian-Ying Gritsenko, Marina A. Hossain, Mahmud Camp, David G., II Smith, Richard D. Qian, Wei-Jun TI IgY14 and Super Mix immunoaffinity separations coupled with liquid chromatography-mass spectrometry for human plasma proteomics biomarker discovery SO METHODS LA English DT Review DE SuperMix; IgY14; Immunoaffinity; Plasma proteomics; Biomarker discovery ID LOW ABUNDANCE PROTEINS; MULTIPLEXED ASSAYS; HUMAN SERUM; DEPLETION; FRACTIONATION; ENRICHMENT; COMBINATION; STRATEGIES; PEPTIDE AB Interest in the application of advanced proteomics technologies to human blood plasma- or serum-based clinical samples for the purpose of discovering disease biomarkers continues to grow: however, the enormous dynamic range of protein concentrations in these types of samples (often >10 orders of magnitude) represents a significant analytical challenge, particularly for detecting low-abundance candidate biomarkers. In response, immunoaffinity separation methods for depleting multiple high- and moderate-abundance proteins have become key tools for enriching low-abundance proteins and enhancing detection of these proteins in plasma proteomics. Herein, we describe IgY14 and tandem IgY14-Supermix separation methods for removing 14 high-abundance and up to 60 moderate-abundance proteins, respectively, from human blood plasma and highlight their utility when combined with liquid chromatography-tandem mass spectrometry for interrogating the human plasma proteome. (C) 2011 Elsevier Inc. All rights reserved. C1 [Qian, Wei-Jun] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99352 USA. Pacific NW Natl Lab, Div Biol Sci, Richland, WA 99352 USA. RP Qian, WJ (reprint author), Pacific NW Natl Lab, Environm Mol Sci Lab, POB 999,MSIN K8-98, Richland, WA 99352 USA. EM weijun.qian@pnnl.gov RI Zhou, Jian-Ying/D-1308-2012; Smith, Richard/J-3664-2012; Shi, Tujin/O-1789-2014 OI Smith, Richard/0000-0002-2381-2349; FU NIH [1-DP2OD006668-01, R01 DK074795, CA111244, RR018522]; DOE [DE-AC05-76RL0 1830]; US Department of Energy (DOE)/BER FX Portions of this work were supported by the NIH Director's New Innovator Award Program 1-DP2OD006668-01, NIH Grants R01 DK074795, CA111244, and RR018522. The experimental work described herein was performed in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the US Department of Energy (DOE)/BER and located at Pacific Northwest National Laboratory, which is operated by Battelle Memorial Institute for the DOE under Contract DE-AC05-76RL0 1830. NR 33 TC 22 Z9 22 U1 3 U2 22 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1046-2023 J9 METHODS JI Methods PD FEB PY 2012 VL 56 IS 2 BP 246 EP 253 DI 10.1016/j.ymeth.2011.09.001 PG 8 WC Biochemical Research Methods; Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 916LN UT WOS:000302105400019 PM 21925605 ER PT J AU Brovelli, S Chiodini, N Lorenzi, R Lauria, A Romagnoli, M Paleari, A AF Brovelli, Sergio Chiodini, Norberto Lorenzi, Roberto Lauria, Alessandro Romagnoli, Marco Paleari, Alberto TI Fully inorganic oxide-in-oxide ultraviolet nanocrystal light emitting devices SO NATURE COMMUNICATIONS LA English DT Article ID SEMICONDUCTOR NANOCRYSTALS; SNO2 NANOCRYSTALS; GLASS-CERAMICS; SOL-GEL; NANOSTRUCTURED SNO2-SIO2; DIODES; SILICA; ELECTROLUMINESCENCE; NANOPARTICLES; LAYERS AB The development of integrated photonics and lab-on-a-chip platforms for environmental and biomedical diagnostics demands ultraviolet electroluminescent materials with high mechanical, chemical and environmental stability and almost complete compatibility with existing silicon technology. Here we report the realization of fully inorganic ultraviolet light-emitting diodes emitting at 390 nm with a maximum external quantum efficiency of similar to 0.3%, based on SnO2 nanoparticles embedded in SiO2 thin films obtained from a solution-processed method. The fabrication involves a single deposition step onto a silicon wafer followed by a thermal treatment in a controlled atmosphere. The fully inorganic architecture ensures superior mechanical robustness and optimal chemical stability in organic solvents and aqueous solutions. The versatility of the fabrication process broadens the possibility of optimizing this strategy and extending it to other nanostructured systems for designed applications, such as active components of wearable health monitors or biomedical devices. C1 [Brovelli, Sergio; Chiodini, Norberto; Lorenzi, Roberto; Lauria, Alessandro; Paleari, Alberto] Univ Milano Bicocca, Dept Mat Sci, I-20125 Milan, Italy. [Brovelli, Sergio] Los Alamos Natl Lab, Div Chem, Los Alamos, NM 87545 USA. [Romagnoli, Marco] MIT, Ctr Mat Proc, Cambridge, MA 02139 USA. RP Brovelli, S (reprint author), Univ Milano Bicocca, Dept Mat Sci, Via Cozzi 53, I-20125 Milan, Italy. EM sergio.brovelli@unimib.it; alberto.paleari@mater.unimib.it RI Lorenzi, Roberto/D-1916-2014; Lauria, Alessandro/C-5041-2016; OI Lorenzi, Roberto/0000-0002-6199-0971; Lauria, Alessandro/0000-0002-7978-2687; Brovelli, Sergio/0000-0002-5993-855X FU Cariplo Foundation, Italy [20060656]; Silvio Tronchetti Provera Foundation; Los Alamos National Laboratory; Russian Federation [11.G34.31.0027] FX We acknowledge the financial support of Cariplo Foundation, Italy, under Project no. 20060656. S.B. acknowledges the financial support of the Silvio Tronchetti Provera Foundation and the Los Alamos National Laboratory Directed Research and Development Program. A.P. acknowledges the financial support by the Russian Federation under grant No. 11.G34.31.0027. NR 55 TC 25 Z9 25 U1 8 U2 61 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD FEB PY 2012 VL 3 AR 690 DI 10.1038/ncomms1683 PG 9 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 915XE UT WOS:000302060100031 PM 22353720 ER PT J AU Choi, WS Chisholm, MF Singh, DJ Choi, T Jellison, GE Lee, HN AF Choi, Woo Seok Chisholm, Matthew F. Singh, David J. Choi, Taekjib Jellison, Gerald E., Jr. Lee, Ho Nyung TI Wide bandgap tunability in complex transition metal oxides by site-specific substitution SO NATURE COMMUNICATIONS LA English DT Article ID BI4TI3O12 SINGLE-CRYSTALS; OPTICAL-PROPERTIES; BISMUTH TITANATE; THIN-FILMS; POLARIZATION; ENHANCEMENT; ELECTRONICS; DEVICES; PHYSICS; PBTIO3 AB Fabricating complex transition metal oxides with a tunable bandgap without compromising their intriguing physical properties is a longstanding challenge. Here we examine the layered ferroelectric bismuth titanate and demonstrate that, by site-specific substitution with the Mott insulator lanthanum cobaltite, its bandgap can be narrowed by as much as 1 eV, while remaining strongly ferroelectric. We find that when a specific site in the host material is preferentially substituted, a split-off state responsible for the bandgap reduction is created just below the conduction band of bismuth titanate. This provides a route for controlling the bandgap in complex oxides for use in emerging oxide optoelectronic and energy applications. C1 [Choi, Woo Seok; Chisholm, Matthew F.; Singh, David J.; Choi, Taekjib; Jellison, Gerald E., Jr.; Lee, Ho Nyung] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Lee, HN (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM hnlee@ornl.gov RI Choi, Taekjib/H-8791-2012; Singh, David/I-2416-2012; Lee, Ho Nyung/K-2820-2012; Choi, Woo Seok/G-8783-2014 OI Choi, Taekjib/0000-0001-6912-3322; Lee, Ho Nyung/0000-0002-2180-3975; FU US. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division; Oak Ridge National Laboratory FX We thank J.F. Scott and S.S.A. Seo for discussions. This work was supported by the US. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division (synthesis, theory and electrical characterization) and the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory (STEM-EELS and optical characterization). The optical measurement was in part conducted at the Center for Nanophase Materials Sciences, a DOE-BES user facility. NR 33 TC 78 Z9 79 U1 9 U2 100 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD FEB PY 2012 VL 3 AR 689 DI 10.1038/ncomms1690 PG 6 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 915XE UT WOS:000302060100030 PM 22353719 ER PT J AU Wang, YF Budd, DA AF Wang, Yifeng Budd, David A. TI Stress-induced chemical waves in sediment burial diagenesis SO NATURE COMMUNICATIONS LA English DT Article ID LATERAL PETROPHYSICAL HETEROGENEITY; SAN-ANDRES FORMATION; FLUID-FLOW; OUTCROP ANALOGS; CARBON-DIOXIDE; PERMIAN BASIN; DOLOMITE; DOLOMITIZATION; GENERATION; RESERVOIRS AB Lateral metre-scale periodic variations in porosity and composition are found in many dolomite strata. Such variations may embed important information about dolomite formation and transformation. Here we show that these variations could be fossilized chemical waves emerging from stress-mediated mineral-water interaction during sediment burial diagenesis. Under the overlying loading, crystals in higher porosity domains are subjected to a higher effective stress, causing pressure solution. The dissolved species diffuse to and precipitate in neighbouring lower porosity domains, further reducing the porosity. This positive feedback leads to lateral porosity and compositional patterning in dolomite. The pattern geometry depends on fluid flow regimes. In a diffusion-dominated case, the low-and high-porosity domains alternate spatially with no directional preference, while, in the presence of an advective flow, this alternation occurs only along the flow direction, propagating like a chemical wave. Our work provides a new perspective for interpreting diagenetic signatures in sedimentary rocks. C1 [Wang, Yifeng] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Budd, David A.] Univ Colorado, Dept Geol Sci, Boulder, CO 80309 USA. RP Wang, YF (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM ywang@sandia.gov FU US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; DOE Sandia LDRD; AVID consortium FX Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. This work is partly supported by DOE Sandia LDRD Program. D.A. Budd's field and petrographic studies were supported by the industrial supporters of the AVID consortium. We would like to thank Enrique Merino of Indiana University for insightful discussions. NR 37 TC 2 Z9 2 U1 0 U2 17 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 2041-1723 J9 NAT COMMUN JI Nat. Commun. PD FEB PY 2012 VL 3 AR 685 DI 10.1038/ncomms1684 PG 7 WC Multidisciplinary Sciences SC Science & Technology - Other Topics GA 915XE UT WOS:000302060100026 PM 22353716 ER PT J AU Wade, TC Coffey, DW Ghosh, N Wittig, JE Kang, WP Allard, LF Unocic, KA Davidson, JL Tolk, NH AF Wade, Travis C. Coffey, Dorothy W. Ghosh, Nikkon Wittig, James E. Kang, Weng P. Allard, Lawrence F. Unocic, Kinga A. Davidson, Jimmy L. Tolk, Norman H. TI Nanostructure TEM analysis of diamond cold cathode field emitters SO DIAMOND AND RELATED MATERIALS LA English DT Article DE Diamond film; Nanostructures; Plasma CVD; Field emission; High resolutions electron microscopy; Surface characterization; Microstructure ID ELECTRON-AFFINITY; EMISSION; SURFACE; DEVICES; TIPS AB Diamond cold-cathode devices have demonstrated significant potential as electron field emitters. Ultra-sharp diamond pyramidal tips (-5 nm tip radius) have been fabricated, and show improvement in emission when compared to conventional field emitters. However, the emission mechanisms in these complex diamond nanostructures are not well understood. Transmission electron microscopy performed in this study provides new insight into tip structure and composition with implications for field emission and diamond growth. (C) 2011 Elsevier B.V. All rights reserved. C1 [Wade, Travis C.; Ghosh, Nikkon; Wittig, James E.; Kang, Weng P.; Davidson, Jimmy L.; Tolk, Norman H.] Vanderbilt Univ, Nashville, TN 37235 USA. [Coffey, Dorothy W.; Allard, Lawrence F.; Unocic, Kinga A.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN USA. RP Wade, TC (reprint author), Vanderbilt Univ, VU Stn B 1807, Nashville, TN 37235 USA. EM Travis.Wade@Vanderbilt.edu RI Wade, Travis/C-6745-2009 FU Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC05-000R22725]; US Army research office [W911NF-10-1-0363]; US Department of Energy [DE-FG02-99ER45781]; US Department of Defense FX The authors would like to thank Dr. William Hofmeister and Dr. Lino Costa at the University of Tennessee Space Institute for assistance in attempting other methods of tip extraction. We are thankful for our ongoing collaboration with Oak Ridge National Laboratory enabling access to advanced electron microscopy and FIB facilities via the SHaRE program. Research at the SHaRE User Facility is supported by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy, under Contract DE-AC05-000R22725 with UT-Battelle, LLC. Support at ORNL provided by Dr. James Bentley. This work was funded by the US Army research office grant # W911NF-10-1-0363, US Department of Energy grant # DE-FG02-99ER45781, and the US Department of Defense Extreme Light Source program. NR 19 TC 5 Z9 5 U1 2 U2 10 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 FEB PY 2012 VL 22 BP 29 EP 32 DI 10.1016/j.diamond.2011.11.007 PG 4 WC Materials Science, Multidisciplinary SC Materials Science GA 911EX UT WOS:000301701200005 ER PT J AU Khan, A Shankland, TJ AF Khan, A. Shankland, T. J. TI A geophysical perspective on mantle water content and melting: Inverting electromagnetic sounding data using laboratory-based electrical conductivity profiles SO EARTH AND PLANETARY SCIENCE LETTERS LA English DT Article DE mantle composition; thermal state; electrical conductivity; water content; electromagnetic sounding; inverse problems ID NOMINALLY ANHYDROUS MINERALS; GRAIN-BOUNDARY TRANSPORT; TRANSITION-ZONE; ORTHO-PYROXENE; ELASTIC PROPERTIES; DISLOCATION CREEP; SEISMIC EVIDENCE; INVERSE PROBLEMS; SILICATE MELTS; UNITED-STATES AB This paper applies electromagnetic sounding methods for Earth's mantle to constrain its thermal state, chemical composition, and "water" content. We consider long-period inductive response functions in the form of C-responses from four stations distributed across the Earth (Europe, North America, Asia and Australia) covering a period range from 3.9 to 95.2 days and sensitivity to similar to 1200 km depth. We invert C-responses directly for thermo-chemical state using a self-consistent thermodynamic method that computes phase equilibria as functions of pressure, temperature, and composition (in the Na2O-CaO-FeO-MgO-Al2O3-SiO2 model system). Computed mineral modes are combined with recent laboratory-based electrical conductivity models from independent experimental research groups (Yoshino (2010) and Karato (2011)) to compute bulk conductivity structure beneath each of the four stations from which C-responses are estimated. To reliably allocate water between the various mineral phases we include laboratory-measured water partition coefficients for major upper mantle and transition zone minerals. This scheme is interfaced with a sampling-based algorithm to solve the resulting non-linear inverse problem. This approach has two advantages: (1) It anchors temperatures, composition, electrical conductivities, and discontinuities that are in laboratory-based forward models, and (2) At the same time it permits the use of geophysical inverse methods to optimize conductivity profiles to match geophysical data. The results show lateral variations in upper mantle temperatures beneath the four stations that appear to persist throughout the upper mantle and parts of the transition zone. Calculated mantle temperatures at 410 and 660 km depth lie in the range 1250-1650 degrees C and 1500-1750 degrees C, respectively, and generally agree with the experimentally-determined temperatures at which the measured phase reactions olivine -> beta-spinel and gamma-spinel -> ferropericlase + perovskite occur. The retrieved conductivity structures beneath the various stations tend to follow trends observed for temperature with the strongest lateral variations in the uppermost mantle; for depths >300 km conductivities appear to depend less on the particular conductivity database. Conductivities at 410 km and at 660 km depth are found to agree overall with purely geophysically-derived global and semi-global one-dimensional conductivity models. Both electrical conductivity databases point to <0.01 wt.% H2O in the upper mantle. For transition zone minerals results from the laboratory database of Yoshino (2010) suggest that a much higher water content (up to 2 wt.% H2O) is required than in the other database (Karato, 2011), which favors a relatively "dry" transition zone (<0.01 wt.% H2O). Incorporating laboratory measurements of hydrous silicate melting relations and available conductivity data allows us to consider the possibility of hydration melting and a high-conductivity melt layer above the 410-km discontinuity. The latter appears to be 1) regionally localized and 2) principally a feature from the Yoshino (2010) database. Further, there is evidence of lateral heterogeneity: The mantle beneath southwestern North America and central China appears "wetter" than that beneath central Europe or Australia. (C) 2011 Elsevier B.V. All rights reserved. C1 [Khan, A.] Swiss Fed Inst Technol, Inst Geochem & Petrol, Zurich, Switzerland. [Shankland, T. J.] Los Alamos Natl Lab, Geophys Grp, Los Alamos, NM USA. RP Khan, A (reprint author), Swiss Fed Inst Technol, Inst Geochem & Petrol, Zurich, Switzerland. EM amir.khan@erdw.ethz.ch OI Shankland, Thomas/0000-0003-0555-1015 FU Swiss National Science Foundation [200021-130411] FX We thank D. Dobson for critically reviewing the manuscript, which led to much improvement An anonymous reviewer is also acknowledged for helpful input as is J. Connolly for informed discussions. This work was supported by Swiss National Science Foundation grant 200021-130411. Numerical computations were performed on the ETH cluster Brutus. NR 136 TC 37 Z9 39 U1 4 U2 48 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0012-821X EI 1385-013X J9 EARTH PLANET SC LETT JI Earth Planet. Sci. Lett. PD FEB 1 PY 2012 VL 317 BP 27 EP 43 DI 10.1016/j.epsl.2011.11.031 PG 17 WC Geochemistry & Geophysics SC Geochemistry & Geophysics GA 910DF UT WOS:000301616700004 ER PT J AU Greene, DL AF Greene, David L. TI Rebound 2007: Analysis of U.S. light-duty vehicle travel statistics SO ENERGY POLICY LA English DT Article DE Rebound effect; Vehicle travel; Fuel economy ID FUEL EFFICIENCY; GASOLINE DEMAND; UNITED-STATES; PRICE; ELASTICITIES; CONSUMPTION; STANDARDS; INCOME AB U.S. national time series data on vehicle travel by passenger cars and light trucks covering the period 1966-2007 are used to test for the existence, size and stability of the rebound effect for motor vehicle fuel efficiency on vehicle travel. The data show a statistically significant effect of gasoline price on vehicle travel but do not support the existence of a direct impact of fuel efficiency on vehicle travel. Additional tests indicate that fuel price effects have not been constant over time, although the hypothesis of symmetry with respect to price increases and decreases is not rejected. Small and Van Dender (2007) model of a declining rebound effect with income is tested and similar results are obtained. (C) 2010 Elsevier Ltd. All rights reserved. C1 Oak Ridge Natl Lab, Knoxville, TN USA. RP Greene, DL (reprint author), Oak Ridge Natl Lab, 2360 Cherahala Blvd, Knoxville, TN USA. EM dlgreene@ornl.gov FU U.S. Environmental Protection Agency, Office of Transportation and Air Quality FX The research presented in this paper was sponsored by the U.S. Environmental Protection Agency, Office of Transportation and Air Quality. NR 41 TC 32 Z9 32 U1 1 U2 12 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-4215 J9 ENERG POLICY JI Energy Policy PD FEB PY 2012 VL 41 BP 14 EP 28 DI 10.1016/j.enpol.2010.03.083 PG 15 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA 903XH UT WOS:000301155500004 ER PT J AU Andress, D Das, S Joseck, F Nguyen, TD AF Andress, David Das, Sujit Joseck, Fred Nguyen, T. Dean TI Status of advanced light-duty transportation technologies in the US SO ENERGY POLICY LA English DT Article DE Light-duty vehicles; Transportation fuels; Transportation policies AB The need to reduce oil consumption and greenhouse gases is driving a fundamental change toward more efficient, advanced vehicles, and fuels in the transportation sector. The paper reviews the current status of light duty vehicles in the US and discusses policies to improve fuel efficiency, advanced electric drives, and sustainable cellulosic biofuels. The paper describes the cost, technical, infrastructure, and market barriers for alternative technologies, i.e., advanced biofuels and light-duty vehicles, including diesel vehicles, natural-gas vehicles, hybrid electric vehicles, plug-in hybrid electric vehicles, and fuel-cell electric vehicles. The paper also presents R&D targets and technology validation programs of the US government. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Andress, David] David Andress & Associates, Kensington, MD USA. [Das, Sujit] Oak Ridge Natl Lab, Knoxville, TN USA. [Joseck, Fred; Nguyen, T. Dean] US DOE, Washington, DC USA. RP Andress, D (reprint author), David Andress & Associates, Kensington, MD USA. EM davidandress@msn.com NR 38 TC 11 Z9 11 U1 2 U2 16 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-4215 J9 ENERG POLICY JI Energy Policy PD FEB PY 2012 VL 41 BP 348 EP 364 DI 10.1016/j.enpol.2011.10.056 PG 17 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA 903XH UT WOS:000301155500035 ER PT J AU Langholtz, M Graham, R Eaton, L Perlack, R Hellwinkel, C Ugarte, DGD AF Langholtz, Matthew Graham, Robin Eaton, Laurence Perlack, Robert Hellwinkel, Chad Ugarte, Daniel G. De la Torre TI Price projections of feedstocks for biofuels and biopower in the U.S. SO ENERGY POLICY LA English DT Article DE Agricultural policy analysis; Bioenergy; US Energy independence and security act AB The economic availability of biomass resources is a critical component in evaluating the commercial viability of biofuels. To evaluate projected farmgate prices and grower payments needed to procure 295 million dry Mg (325 million dry tons) of biomass in the U.S. by 2022, this research employs POLYSYS, an economic model of the U.S. agriculture sector. A price-run simulation suggests that a farmgate price of $58.42 Mg-1 ($53.00 dry ton(-1)) is needed to procure this supply, while a demand-run simulation suggests that prices of $34.56 and $71.61 Mg-1 ($30.00 and $62.00 dry ton(-1)) in are needed in 2012 and 2022, respectively, to procure the same supply, under baseline yield assumptions. Grower payments are reported as farmgate price minus resource-specific harvest costs. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Langholtz, Matthew; Graham, Robin; Eaton, Laurence; Perlack, Robert] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. [Hellwinkel, Chad; Ugarte, Daniel G. De la Torre] Univ Tennessee, Dept Agr Econ & Rural Sociol, Agr Policy Anal Ctr, Knoxville, TN 37901 USA. RP Langholtz, M (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM langholtzmh@ornl.gov RI Eaton, Laurence/E-1471-2012 OI Eaton, Laurence/0000-0003-1270-9626 NR 21 TC 17 Z9 17 U1 3 U2 15 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0301-4215 J9 ENERG POLICY JI Energy Policy PD FEB PY 2012 VL 41 BP 484 EP 493 DI 10.1016/j.enpol.2011.11.009 PG 10 WC Energy & Fuels; Environmental Sciences; Environmental Studies SC Energy & Fuels; Environmental Sciences & Ecology GA 903XH UT WOS:000301155500047 ER PT J AU Buchmueller, O Cavanaugh, R De Roeck, A Dolan, MJ Ellis, JR Flacher, H Heinemeyer, S Isidori, G Santos, DM Olive, KA Rogerson, S Ronga, FJ Weiglein, G AF Buchmueller, O. Cavanaugh, R. De Roeck, A. Dolan, M. J. Ellis, J. R. Flaecher, H. Heinemeyer, S. Isidori, G. Santos, D. Martinez Olive, K. A. Rogerson, S. Ronga, F. J. Weiglein, G. TI Supersymmetry in light of 1/fb of LHC data SO EUROPEAN PHYSICAL JOURNAL C LA English DT Article ID NEUTRALINO DARK-MATTER; LARGE TAN-BETA; EVEN HIGGS BOSONS; RELIC DENSITY; MINIMAL SUPERGRAVITY; STANDARD MODEL; FLAVOR PHYSICS; MSSM; PROGRAM; CONSTRAINTS AB We update previous frequentist analyses of the CMSSM and NUHM1 parameter spaces to include the public results of searches for supersymmetric signals using similar to 1/fb of LHC data recorded by ATLAS and CMS and similar to 0.3/fb of data recorded by LHCb in addition to electroweak precision and B-physics observables. We also include the constraints imposed by the cosmological dark matter density and the XENON100 search for spin-independent dark matter scattering. The LHC data set includes ATLAS and CMS searches for jets + (sic)(T) events and for the heavier MSSM Higgs bosons, and the upper limits on BR(Bs -> mu(+)mu(-)) from LHCb and CMS. The absences of jets + (sic)(T) signals in the LHC data favour heavier mass spectra than in our previous analyses of the CMSSM and NUHM1, which may be reconciled with (g - 2) (mu) if tan beta similar to 40, a possibility that is, however, under pressure from heavy Higgs searches and the upper limits on BR(B-s -> mu(+)mu(-)). As a result, the p-value for the CMSSM fit is reduced to similar to 15(38)%, and that for the NUHM1 to similar to 16(38)%, to be compared with similar to 9(49)% for the Standard Model limit of the CMSSM for the same set of observables (dropping (g - 2)(mu)), ignoring the dark matter relic density. We discuss the sensitivities of the fits to the (g - 2)(mu) and BR(b -> s gamma) constraints, contrasting fits with and without the (g - 2)(mu) constraint, and combining the theoretical and experimental errors for BR(b -> s gamma) linearly or in quadrature. We present predictions for m((g) over tilde), BR(B-s -> mu(+)mu(-)), M-h and MA, and update predictions for spin-independent dark matter scattering, incorporating the uncertainty in the p-nucleon sigma term Sigma(pi N). C1 [Buchmueller, O.; Rogerson, S.] Univ London Imperial Coll Sci Technol & Med, Blackett Lab, High Energy Phys Grp, London SW7 2AZ, England. [Cavanaugh, R.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Cavanaugh, R.] Univ Illinois, Dept Phys, Chicago, IL 60607 USA. [De Roeck, A.; Ellis, J. R.; Santos, D. Martinez] CERN, CH-1211 Geneva 23, Switzerland. [De Roeck, A.] Univ Antwerp, B-2610 Antwerp, Belgium. [Dolan, M. J.] Univ Durham, Inst Particle Phys Phenomenol, Durham DH1 3LE, England. [Ellis, J. R.] Kings Coll London, Dept Phys, Theoret Particle Phys & Cosmol Grp, London WC2R 2LS, England. [Flaecher, H.] Univ Bristol, HH Wills Phys Lab, Bristol BS8 1TL, Avon, England. [Heinemeyer, S.] Inst Fis Cantabria CSIC UC, Santander 39005, Spain. [Isidori, G.] Ist Nazl Fis Nucl, Lab Nazl Frascati, I-00044 Frascati, Italy. [Olive, K. A.] Univ Minnesota, Sch Phys & Astron, William I Fine Theoret Phys Inst, Minneapolis, MN 55455 USA. [Ronga, F. J.] ETH, Inst Particle Phys, CH-8093 Zurich, Switzerland. [Weiglein, G.] DESY, D-22607 Hamburg, Germany. RP Buchmueller, O (reprint author), Univ London Imperial Coll Sci Technol & Med, Blackett Lab, High Energy Phys Grp, Prince Consort Rd, London SW7 2AZ, England. EM Sven.Heinemeyer@cern.ch RI Martinez Santos, Diego/I-2743-2015; OI Martinez Santos, Diego/0000-0002-6438-4483; Olive, Keith/0000-0001-7201-5998; DOLAN, MATTHEW/0000-0003-3420-8718 FU European Research Council [267352]; CICYT [2010-22163-C02-01]; Spanish MICINN [MultiDark CSD2009-00064]; DOE, University of Minnesota [DE-FG02-94ER-40823] FX The work of O.B., J.E. and K.A.O. is supported partly by the London Centre for Terauniverse Studies (LCTS), using funding from the European Research Council via the Advanced Investigator Grant 267352. The work of S. H. was supported in part by CICYT (grant FPA 2010-22163-C02-01) and by the Spanish MICINN's Consolider-Ingenio 2010 Program under grant MultiDark CSD2009-00064. The work of K.A.O. is supported in part by DOE grant DE-FG02-94ER-40823 at the University of Minnesota. NR 133 TC 48 Z9 48 U1 0 U2 1 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6044 J9 EUR PHYS J C JI Eur. Phys. J. C PD FEB PY 2012 VL 72 IS 2 AR 1878 DI 10.1140/epjc/s10052-012-1878-4 PG 20 WC Physics, Particles & Fields SC Physics GA 907QL UT WOS:000301432300014 ER PT J AU Ongena, JPHE Voitsekhovitch, I Evrard, M McCune, D AF Ongena, J. P. H. E. Voitsekhovitch, I. Evrard, M. McCune, D. TI NUMERICAL TRANSPORT CODES SO FUSION SCIENCE AND TECHNOLOGY LA English DT Article; Proceedings Paper CT 10th Carolus Magnus Summer School on Plasma and Fusion Energy Physics CY SEP 04-16, 2011 CL Weert, NETHERLANDS ID TRITIUM TRANSPORT; PLASMA; TOKAMAK; RECONSTRUCTION; PROFILE AB This paper gives a brief introduction on numerical transport codes. The relevant equations that are used in these codes are established, and on the basis of these equations, the necessary calculations needed to resolve them are pointed out. Finally, some examples are given, illustrating their application. C1 [Ongena, J. P. H. E.; Evrard, M.] EURATOM, Ecole Royale Mil, Plasma Phys Lab, B-1000 Brussels, Belgium. [Voitsekhovitch, I.] Culham Sci Ctr, EURATOM UKAEA Fus Assoc, Abingdon OX14 3DB, Oxon, England. [McCune, D.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Ongena, JPHE (reprint author), EURATOM, Ecole Royale Mil, Plasma Phys Lab, B-1000 Brussels, Belgium. NR 24 TC 2 Z9 2 U1 0 U2 6 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 1536-1055 EI 1943-7641 J9 FUSION SCI TECHNOL JI Fusion Sci. Technol. PD FEB PY 2012 VL 61 IS 2T BP 180 EP 189 PG 10 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 903AE UT WOS:000301084500020 ER PT J AU Taguchi, T Gupta, R Lassalle-Kaiser, B Boyce, DW Yachandra, VK Tolman, WB Yano, J Hendrich, MP Borovik, AS AF Taguchi, Taketo Gupta, Rupal Lassalle-Kaiser, Benedikt Boyce, David W. Yachandra, Vittal K. Tolman, William B. Yano, Junko Hendrich, Michael P. Borovik, A. S. TI Preparation and Properties of a Monomeric High-Spin Mn-V-Oxo Complex SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID HYDROGEN-ATOM ABSTRACTION; OXYGEN-EVOLVING COMPLEX; PHOTOSYSTEM-II; OXOMANGANESE(V) PORPHYRIN; ELECTRONIC-STRUCTURE; WATER OXIDATION; BOND-CLEAVAGE; CORE; SPECTROSCOPY; TRANSITION AB Oxomanganese(V) species have been implicated in a variety of biological and synthetic processes, including their role as a key reactive center within the oxygen-evolving complex in photosynthesis. Nearly all mononuclear Mn-V-oxo complexes have tetragonal symmetry, producing low-spin species. A new high-spin Mn-V-oxo complex that was prepared from a well-characterized oxomanganese(III) complex having trigonal symmetry is now reported. Oxidation experiments with [FeCp2](+) were monitored with optical and electron paramagnetic resonance (EPR) spectroscopies and support a high-spin oxomanganese(V) complex formulation. The parallel-mode EPR spectrum has a distinctive S = 1 signal at g = 4.01 with a six-line hyperfine pattern having A(z) = 113 MHz. The presence of an oxo ligand was supported by resonance Raman spectroscopy, which revealed O-isotope-sensitive peaks at 737 and 754 cm(-1) assigned as a Fermi doublet centered at 746 cm(-1) (Delta O-18 = 31 cm(-1)). Mn K beta X-ray emission spectra showed K beta' and K beta(1,3) bands at 6475.92 and 6490.50 eV, respectively, which are characteristic of a high-spin Mn-V center. C1 [Boyce, David W.; Tolman, William B.] Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA. [Taguchi, Taketo; Borovik, A. S.] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA. [Gupta, Rupal; Hendrich, Michael P.] Carnegie Mellon Univ, Dept Chem, Pittsburgh, PA 15213 USA. [Lassalle-Kaiser, Benedikt; Yachandra, Vittal K.; Yano, Junko] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Boyce, David W.; Tolman, William B.] Univ Minnesota, Ctr Met Biocatalysis, Minneapolis, MN 55455 USA. RP Tolman, WB (reprint author), Univ Minnesota, Dept Chem, 207 Pleasant St SE, Minneapolis, MN 55455 USA. EM aborovik@uci.edu FU NIH [GM50781, GM77387, GM47365, GM55302]; Office of Science, Office of Basic Energy Sciences (OBES), Division of Chemical Sciences, Geosciences and Biosciences, Department of Energy (DOE) [DE-AC02-05CH11231] FX The authors thank the NIH (GM50781 to A.S.B.; GM77387 to M.P.H.; GM47365 to W.B.T.; and GM55302 to V.K.Y.) and the Office of Science, Office of Basic Energy Sciences (OBES), Division of Chemical Sciences, Geosciences and Biosciences, Department of Energy (DOE) under Contract DE-AC02-05CH11231 (to V.K.Y. and J.Y.) for financial support. Portions of this research were carried out at the Stanford Synchrotron Radiation Lightsource (SSRL) operated by DOE, OBES. We thank Drs. J. Kern, R. A. Mori, and T.-C. Weng for their help during the XES data collection and Professor T. J. Collins for providing [NEt4][MnVDMB(O)]. NR 38 TC 52 Z9 52 U1 2 U2 67 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 FEB 1 PY 2012 VL 134 IS 4 BP 1996 EP 1999 DI 10.1021/ja210957u PG 4 WC Chemistry, Multidisciplinary SC Chemistry GA 903AF UT WOS:000301084600027 PM 22233169 ER PT J AU Mugridge, JS Bergman, RG Raymond, KN AF Mugridge, Jeffrey S. Bergman, Robert G. Raymond, Kenneth N. TI Equilibrium Isotope Effects on Noncovalent Interactions in a Supramolecular Host-Guest System SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID H BOND ACTIVATION; HIGH-PRECISION MEASUREMENT; RATIONAL DESIGN; ANIONIC HOST; ENCAPSULATION; BINDING; PROBE; WATER; RECOGNITION; MOLECULES AB The self-assembled supramolecular complex [Ga4L6](12-) (1; L = 1,5-bis[2,3-dihydroxybenzamido]naphthalene) can act as a molecular host in aqueous solution and bind cationic guest molecules to its highly charged exterior Surface or within its hydrophobic interior cavity. The distinct internal cavity of host 1 modifies the physical properties and reactivity of bound guest molecules and can be used to catalyze a variety of chemical transformations. Noncovalent host-guest interactions in large part control guest binding, molecular recognition and the chemical reactivity of bound guests. Herein we examine equilibrium isotope effects (ELEs) on both exterior and-interior guest binding to host 1 and use these effects to probe the details of noncovalent host-guest interactions. For both interior and exterior binding of a benzylphosphonium guest in aqueous solution, protiated guests are found to bind more strongly to host 1 (K-H/K-D > 1) and the preferred association of protiated guests is driven by enthalpy and opposed by entropy. Deuteration of guest methyl and benzyl C-H bonds results in a larger EIE than deuteration of guest aromatic C-H bonds. The observed Ems can be well explained by considering changes in guest vibrational force constants and zero-point energies. DFT calculations further confirm the origins of these EIEs and suggest that changes in low-frequency guest C-HID vibrational motions (bends, wags, etc.) are primarily responsible for the observed EIEs. C1 [Mugridge, Jeffrey S.; Bergman, Robert G.; Raymond, Kenneth N.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Mugridge, Jeffrey S.; Bergman, Robert G.; Raymond, Kenneth N.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. RP Bergman, RG (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM rbergman@berkeley.edu; raymond@socrates.berkeley.edu FU NSF [CHE-0233882, CHE-0840505]; Office of Science, Office of Basic Energy Sciences, and the Division of Chemical Sciences, Geosciences, and Biosciences of the U.S. Department of Energy at LBNL [DE-AC02-05CH11231] FX The authors would like to thank Dr. Xinzheng Yang, Dr. Jamin Krinsky and Dr. Kathleen Durkin for assistance with DFT computational Studies and acknowledge NSF Grants CHE-0233882 and CHE-0840505, which fund the UC Berkeley Molecular Graphics and Computational Facility. We also thank Dr. Ulla Andersen for help with mass spectrometry experiments and Prof. Charles Perrin for correspondence about his NMR titration methods. This work has been supported by the Director, Office of Science, Office of Basic Energy Sciences, and the Division of Chemical Sciences, Geosciences, and Biosciences of the U.S. Department of Energy at LBNL under Contract No. DE-AC02-05CH11231 and an NSF predoctoral fellowship to J.S.M. NR 52 TC 21 Z9 21 U1 7 U2 61 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 FEB 1 PY 2012 VL 134 IS 4 BP 2057 EP 2066 DI 10.1021/ja2067324 PG 10 WC Chemistry, Multidisciplinary SC Chemistry GA 903AF UT WOS:000301084600041 PM 22145944 ER PT J AU Shokri, A Schmidt, J Wang, XB Kass, SR AF Shokri, Alireza Schmidt, Jacob Wang, Xue-Bin Kass, Steven R. TI Hydrogen Bonded Arrays: The Power of Multiple Hydrogen Bonds SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID ENZYMATIC CATALYSIS; OXYANION HOLE; GAS-PHASE; PHOTOELECTRON-SPECTROSCOPY; DENSITY FUNCTIONALS; KETOSTEROID ISOMERASE; MOLECULAR RECOGNITION; PROTON ABSTRACTION; CARBON ACIDS; CROWN-ETHERS AB Hydrogen bond interactions in small covalent model compounds (i.e., deprotonated polyhydroxy alcohols) were measured by negative ion photoelectron spectroscopy. The experimentally determined vertical and adiabatic electron detachment energies for (HOCH2CH2)(2)CHO- (2a), (HOCH2CH2)(3)CO- (3a), and (HOCH2CH2CH(OH)CH2)(3)CO- (4a) reveal that hydrogen-bonded networks can provide enormous stabilizations and that a single charge center not only can be stabilized by up to three hydrogen bonds but also can increase the interaction energy between noncharged OH groups by 5.8 kcal mol(-1) or more per hydrogen bond. This can lead to pK(a) values that are very different from those in water and can provide some of the impetus for catalytic processes. C1 [Wang, Xue-Bin] Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. [Shokri, Alireza; Schmidt, Jacob; Kass, Steven R.] Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA. [Wang, Xue-Bin] Washington State Univ, Dept Phys, Richland, WA 99354 USA. RP Wang, XB (reprint author), Pacific NW Natl Lab, Div Chem & Mat Sci, POB 999,MS K8-88 Richland, Richland, WA 99352 USA. EM xuebin.wang@pnnl.gov; kass@umn.edu FU National Science Foundation; Petroleum Research Fund; Minnesota Supercomputer Institute for Advanced Computational Research; Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy (DOE); DOE's Office of Biological and Environmental Research FX This work is dedicated to the memory of Donna Kass. Generous support from the National Science Foundation, the Petroleum Research Fund, and the Minnesota Supercomputer Institute for Advanced Computational Research are gratefully acknowledged. The photoelectron spectra work was supported by the Division of Chemical Sciences, Geosciences and Biosciences, Office of Basic Energy Sciences, U.S. Department of Energy (DOE), and performed at the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by DOE's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory, which is operated by Battelle for the DOE. We also thank Prof. Brian Miller for helpful suggestions. NR 52 TC 27 Z9 27 U1 0 U2 30 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 FEB 1 PY 2012 VL 134 IS 4 BP 2094 EP 2099 DI 10.1021/ja2081907 PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA 903AF UT WOS:000301084600045 PM 22239658 ER PT J AU Yiu, AT Beaujuge, PM Lee, OP Woo, CH Toney, MF Frechet, JMJ AF Yiu, Alan T. Beaujuge, Pierre M. Lee, Olivia P. Woo, Claire H. Toney, Michael F. Frechet, Jean M. J. TI Side-Chain Tunability of Furan-Containing Low-Band-Gap Polymers Provides Control of Structural Order in Efficient Solar Cells SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID CHARGE-CARRIER MOBILITY; THIN-FILM TRANSISTORS; ORGANIC PHOTOVOLTAICS; SOLVENT ADDITIVES; PHASE-SEPARATION; PERFORMANCE; DIKETOPYRROLOPYRROLE; OLIGOTHIOPHENES; POLYTHIOPHENES; OLIGOFURANS AB The solution-processability of conjugated polymers in organic solvents has classically been achieved by modulating the size and branching of alkyl substituents appended to the backbone. However, these substituents impact structural order and charge transport properties in thin-film devices. As a result, a trade-off must be found between material solubility and insulating alkyl content. It was recently shown that the substitution of furan for thiophene in the backbone of the polymer PDPP2FT significantly improves polymer solubility, allowing for the use of shorter branched side chains while maintaining high device efficiency. In this report, we use PDPP2FT to demonstrate that linear alkyl side chains can be used to promote thin-film nanostructural order. In particular, linear side chains are shown to shorten pi-pi stacking distances between backbones and increase the correlation lengths of both pi-pi stacking and lamellar spacing, leading to a substantial increase in the efficiency of bulk heterojunction solar cells. C1 [Yiu, Alan T.; Beaujuge, Pierre M.; Lee, Olivia P.; Woo, Claire H.; Frechet, Jean M. J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Beaujuge, Pierre M.; Lee, Olivia P.; Frechet, Jean M. J.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Yiu, Alan T.; Woo, Claire H.; Frechet, Jean M. J.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. [Beaujuge, Pierre M.; Frechet, Jean M. J.] King Abdullah Univ Sci & Technol, Thuwal 239556900, Saudi Arabia. [Toney, Michael F.] SLAC Natl Accelerator Lab, Stanford Synchrotron Radiat Lightsource, Menlo Pk, CA 94025 USA. RP Frechet, JMJ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. EM jean.frechet@kaust.edu.sa OI Frechet, Jean /0000-0001-6419-0163 FU Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy [DE-AC02-05CH11231]; Center for Advanced Molecular Photovoltaics (CAMP) [KUS-C1-015-21]; King Abdullah University of Science and Technology (KAUST); Frechet FX This work was supported in part by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231, the Center for Advanced Molecular Photovoltaics (CAMP) under Award No. KUS-C1-015-21, supported by King Abdullah University of Science and Technology (KAUST), and the Frechet "various gifts" fund for the support of research in new materials. Portions of this research were carried out at the Stanford Synchrotron Radiation Lightsource user facility, operated on behalf of the U.S. Department of Energy, Office of Basic Energy Sciences. NR 58 TC 268 Z9 270 U1 10 U2 169 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 FEB 1 PY 2012 VL 134 IS 4 BP 2180 EP 2185 DI 10.1021/ja2089662 PG 6 WC Chemistry, Multidisciplinary SC Chemistry GA 903AF UT WOS:000301084600055 PM 22191680 ER PT J AU Kareis, CM Lapidus, SH Her, JH Stephens, PW Miller, JS AF Kareis, Christopher M. Lapidus, Saul H. Her, Jae-Hyuk Stephens, Peter W. Miller, Joel S. TI Non-Prussian Blue Structures and Magnetic Ordering of Na2MnII[Mn-II(CN)(6)] and Na2MnII[Mn-II(CN)(6)]center dot 2H(2)O SO JOURNAL OF THE AMERICAN CHEMICAL SOCIETY LA English DT Article ID MOLECULE-BASED MAGNETS; CRYSTAL-STRUCTURES; SOLID-STATE; DEGREES-C; TEMPERATURE; DIFFRACTION; ENHANCEMENT; ANALOGS; PHASES; COBALT AB The aqueous reaction of Mn-II and NaCN leads to the isolation of the 3-D Prussian blue analogue (PBA) Na2Mn[Mn(CN)(6)]center dot 2H(2)O (1 center dot H2O), which under careful dehydration forms 1. 1 center dot H2O is monoclinic [P2(1)/n, a = 10.66744(32) angstrom, b = 7.60223(23) angstrom, c = 7.40713(22) angstrom, beta = 92.4379(28)degrees], while 1 is rhombohedral [R (3) over bar, a = 6.6166(2) angstrom, c = 19.2585(6) angstrom], and both structures are atypical for PBAs, which are typically face centered cubic. Most notably, the average angle Mn-N-C angles are 165.3(3)degrees and 142.4(4)degrees for 1 center dot H2O and 1, respectively, which are significantly reduced from linearity. This is attributed to the ionic nature of high-spin Mn-II accommodating a reduced angle Mn-N-C to minimize void space. Both 1 and 1 center dot H2O magnetically order as ferrimagnets below their ordering temperature, T-c, of 58 and 30 K, respectively, as determined from the average of several independent methods. 1 and 1 center dot H2O are hard magnets with 5 K coercive fields of 15 300 and 850 Oe, and remnant magnetizations of 9075 and 102 emu.Oe/mol, respectively. These data along with previous T-c's reported for related materials reveal that T-c increases as the angle Mn-N-C deviates further from linearity. Hence, the bent cyanide bridges play a crucial role in the superexchange mechanism by increasing the coupling via shorter Mn-II center dot center dot center dot Mn-II separations, and perhaps an enhanced overlap. C1 [Lapidus, Saul H.; Her, Jae-Hyuk; Stephens, Peter W.] SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. [Kareis, Christopher M.; Miller, Joel S.] Univ Utah, Dept Chem, Salt Lake City, UT 84112 USA. [Stephens, Peter W.] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. RP Stephens, PW (reprint author), SUNY Stony Brook, Dept Phys & Astron, Stony Brook, NY 11794 USA. EM peter.stephens@sunysb.edu; jsmiller@chem.utah.edu FU Department of Energy Division of Material Science [DE-FG03-93ER45504]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX We appreciate the continued support by the Department of Energy Division of Material Science (Grant No. DE-FG03-93ER45504), and fitting of the magnetic data to the Neel equation by Amber C. McConnell. Use of the National Synchrotron Light Source, Brookhaven National Laboratory, was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. NR 32 TC 22 Z9 22 U1 6 U2 44 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 FEB 1 PY 2012 VL 134 IS 4 BP 2246 EP 2254 DI 10.1021/ja209799y PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 903AF UT WOS:000301084600062 PM 22188009 ER PT J AU Groves, JR Hammond, RH Matias, V DePaula, RF Stan, L Clemens, BM AF Groves, James R. Hammond, Robert H. Matias, Vladimir DePaula, Raymond F. Stan, Liliana Clemens, Bruce M. TI Biaxial texture development in the ion beam assisted deposition of magnesium oxide SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 17th International Conference on Ion Beam Modification of Materials (IBMM) CY AUG 22-27, 2010 CL Montreal, CANADA DE Ion beam assisted deposition; Nucleation and growth; RHEED; Biaxial texture; Magnesium oxide ID THIN-FILMS; MGO; NUCLEATION AB Low-energy ion-beam irradiation (< 1 keV) during the concurrent deposition of cubic oxide materials results in the growth of crystallographically textured thin films. A model system, magnesium oxide (MgO). has been successfully used as a biaxially textured template film for the heteroepitaxial deposition of many materials with texture dependent properties like high temperature superconductors, tunable microwave materials, and ferroelectrics. Here, we present data on the initial nucleation of biaxial crystallographic texture in this model system using an in situ quartz crystal microbalance (QCM) substrate combined with in situ reflected high-energy electron diffraction (RHEED). Correlation of mass uptake with the RHEED images of the growing surface shows that the development of crystallographic biaxial texture in this material system occurs suddenly as the initially polycrystalline MgO films reaches a critical film thickness of 2 nm. This texture continues to improve during subsequent growth. A simple model shows that the effect is not due simply to coverage effects. We use a combination of in situ RHEED and ex situ transmission electron microscopy to further elucidate the mechanism of this sudden texture formation. We present a physical model to describe this behavior and explain the role of ion-to-atom arrival ratio and underlying nucleation surface on texture development. (C) 2011 Elsevier B.V. All rights reserved. C1 [Groves, James R.; Clemens, Bruce M.] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. [Groves, James R.; Matias, Vladimir; DePaula, Raymond F.; Stan, Liliana] Los Alamos Natl Lab, Superconduct Technol Ctr, Los Alamos, NM 87545 USA. [Hammond, Robert H.] Stanford Univ, Ceballe Lab Adv Mat, Stanford, CA 94305 USA. RP Groves, JR (reprint author), Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. EM jgroves@stanford.edu NR 14 TC 8 Z9 8 U1 1 U2 33 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD FEB 1 PY 2012 VL 272 BP 28 EP 32 DI 10.1016/j.nimb.2011.01.026 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 903YS UT WOS:000301159900008 ER PT J AU Karstens, W Smith, DY AF Karstens, W. Smith, D. Y. TI Collective excitations, optical properties and the stopping power of materials SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 17th International Conference on Ion Beam Modification of Materials (IBMM) CY AUG 22-27, 2010 CL Montreal, CANADA DE Stopping power; Ionizing radiation; Energy loss by ions ID CHARACTERISTIC ENERGY-LOSSES; MOVING ELECTRIFIED PARTICLES; CHARGED-PARTICLES; INELASTIC-SCATTERING; PLASMA OSCILLATIONS; FAST ELECTRONS; SOLIDS; METALS; MATTER; ATOMS AB We compare energy loss by ions and photons via electronic excitations in metals, insulators and semiconductors using optical data from synchrotron light-source measurements. The spectra of photon-induced transverse excitations differ markedly from those of longitudinal excitations by ions: photons give up all their energy to a single electronic excitation: charged particles produce a broad spectrum of excitations shifted toward higher energies by collective effects. The widths of these collective-mode resonances in insulators and semiconductors are significantly greater than those in metals reflecting shorter collective-mode lifetimes. (C) 2011 Elsevier B.V. All rights reserved. C1 [Smith, D. Y.] Univ Vermont, Dept Phys, Burlington, VT 05405 USA. [Karstens, W.] St Michaels Coll, Dept Phys, Colchester, VT 05439 USA. [Smith, D. Y.] Argonne Natl Lab, Div Phys, Argonne, IL 60439 USA. RP Smith, DY (reprint author), Univ Vermont, Dept Phys, 82 Univ Pl, Burlington, VT 05405 USA. EM dysmith@uvm.edu NR 64 TC 0 Z9 0 U1 0 U2 4 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X EI 1872-9584 J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD FEB 1 PY 2012 VL 272 BP 37 EP 41 DI 10.1016/j.nimb.2011.01.028 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 903YS UT WOS:000301159900010 ER PT J AU Myers, MT Sencer, BH Shao, L AF Myers, Michael T. Sencer, Bulent H. Shao, Lin TI Multi-scale modeling of localized heating caused by ion bombardment SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 17th International Conference on Ion Beam Modification of Materials (IBMM) CY AUG 22-27, 2010 CL Montreal, CANADA DE Focused ion beam; Finite element analysis; Monte Carlo ID INDUCED DAMAGE; SILICON AB We have developed a multiscale modeling algorithm to incorporate both a Monte Carlo (MC) ion irradiation simulator and finite element analysis to simulate ion beam heating. The spatial distribution of displacements from the MC code was input into a 3-D FEA code to predict the temperature evolution upon ion bombardment. In order to simulate the flux effect, ions were introduced stochastically. We discuss the necessity to use both grid refinement and grid coarsening techniques to make such modeling possible, thus providing a basis to evaluate the impact on the microstructure of the substrate. The aforementioned approach was applied for the case of a 16 A cm(-2) beam of 6 key Ga+ ions to simulate FIB sample sectioning and thinning in a Si substrate. (C) 2011 Elsevier B.V. All rights reserved. C1 [Myers, Michael T.; Shao, Lin] Texas A&M Univ, Dept Nucl Engn, College Stn, TX 77843 USA. [Sencer, Bulent H.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Shao, L (reprint author), Texas A&M Univ, Dept Nucl Engn, College Stn, TX 77843 USA. EM lshao@ne.tamu.edu NR 16 TC 6 Z9 6 U1 0 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD FEB 1 PY 2012 VL 272 BP 165 EP 168 DI 10.1016/j.nimb.2011.01.057 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 903YS UT WOS:000301159900039 ER PT J AU Ye, B Yun, D Oaks, AJ Chen, W Kirk, MA Rest, J Yacout, AM Stubbins, JF AF Ye, B. Yun, D. Oaks, A. J. Chen, W. Kirk, M. A. Rest, J. Yacout, A. M. Stubbins, J. F. TI The effects of xenon implantation in ceria with and without lanthanum SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 17th International Conference on Ion Beam Modification of Materials (IBMM) CY AUG 22-27, 2010 CL Montreal, CANADA ID FUELS; UO2 AB A combination of in situ and ex situ transmission electron microscopy (TEM) experiments was used to study the evolution of defect clusters during implantation of Xe at the energy of 700 key. Xenon has been implanted into CeO2 and Ce/LaO2 single crystal thin films up to doses of 1 x 10(17) ions/cm(2) at room temperature and 600 degrees C. The evolution of microstructure, especially the formation of solid-state precipitates, during irradiation is found to be a function of material composition, irradiation dose and irradiation temperature. The precipitates are either aggregated Xe in the solid state or metallic Ce due to the active redox reaction in CeO2 and Ce/LaO2. Further investigations with the help of X-ray techniques will be carried out in the future. Published by Elsevier B.V. C1 [Ye, B.; Yun, D.; Oaks, A. J.; Chen, W.; Stubbins, J. F.] Univ Illinois, Talbot Lab, Dept Nucl Plasma & Radiol Engn, Urbana, IL 61801 USA. [Yun, D.; Kirk, M. A.; Rest, J.; Yacout, A. M.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Ye, B (reprint author), Univ Illinois, Talbot Lab, Dept Nucl Plasma & Radiol Engn, 104 S Wright St, Urbana, IL 61801 USA. EM evayebei@gmail.com OI Oaks, Aaron/0000-0001-8552-242X NR 7 TC 5 Z9 5 U1 0 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD FEB 1 PY 2012 VL 272 BP 236 EP 238 DI 10.1016/j.nimb.2011.01.073 PG 3 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 903YS UT WOS:000301159900055 ER PT J AU Yun, D Ye, B Oaks, AJ Chen, W Kirk, MA Rest, J Yacout, AM Stubbins, JF AF Yun, D. Ye, B. Oaks, A. J. Chen, W. Kirk, M. A. Rest, J. Yacout, A. M. Stubbins, J. F. TI Fission gas transport and its interactions with irradiation-induced defects in lanthanum doped ceria SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 17th International Conference on Ion Beam Modification of Materials (IBMM) CY AUG 22-27, 2010 CL Montreal, CANADA DE Irradiation-induced defect; In situ TEM; Ex situ TEM; CeO2; Xe; Kr ion irradiation; Lanthanum ID CEO2 AB To help understand the mechanisms of irradiation-induced defect formation and evolution in nuclear fuel, systematic experimental efforts have been carried out. Ceria (CeO2) was selected as a surrogate material for Uranium Dioxide (UO2) due to many similar properties. lanthanum (La) was chosen as a dopant in CeO2 to investigate the effect of impurities. The presence of La in the CeO2 lattice introduces a predictable initial concentration of oxygen vacancies, making it possible to characterize hypostoichiometric effects in CeO2. The influence of two La concentrations, 5% and 25%, were examined. In situ Transmission Electron Microscopy (TEM) experiments were used to study the evolution of defect clusters and the influence of irradiation with two common fission products: Xe and Kr. The irradiations were performed on thin film, single crystal materials. The irradiation damage caused formation of dislocation loopsat 600 degrees C and defect clusters at room temperature. Dislocation networks form as the result of interactions of defect clusters. The dislocation loops were determined to be mainly of 1/9[111] interstitial type loops. Quantitative results were obtained to characterize the fluence and temperature effects of irradiation. Slow defect kinetics were found with irradiation on 25% La doped CeO2 at 600 degrees C and it is attributed to the higher concentration of oxygen vacancies due to high La dopant level. Published by Elsevier B.V. C1 [Yun, D.; Kirk, M. A.; Rest, J.; Yacout, A. M.] Argonne Natl Lab, Lemont, IL 60439 USA. [Yun, D.; Ye, B.; Oaks, A. J.; Chen, W.; Stubbins, J. F.] Univ Illinois, Urbana, IL 61820 USA. RP Yun, D (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Lemont, IL 60439 USA. EM diyun@anl.gov RI Yun, Di/K-6441-2013; OI Yun, Di/0000-0002-9767-3214; Oaks, Aaron/0000-0001-8552-242X NR 9 TC 6 Z9 6 U1 0 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD FEB 1 PY 2012 VL 272 BP 239 EP 243 DI 10.1016/j.nimb.2011.01.074 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 903YS UT WOS:000301159900056 ER PT J AU Zhang, J Wang, YQ Valdez, JA Tang, M Won, J Sickafus, KE AF Zhang, J. Wang, Y. Q. Valdez, J. A. Tang, M. Won, J. Sickafus, K. E. TI Ion irradiation-induced phase transformations in delta-gamma-beta phases of Sc2O3-ZrO2 mixtures SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 17th International Conference on Ion Beam Modification of Materials (IBMM) CY AUG 22-27, 2010 CL Montreal, CANADA DE Ion irradiation; Phase transformation; Non-stoichiometry; Oxygen vacancy ID NUCLEAR-WASTE; IMMOBILIZATION; PLUTONIUM; ZIRCONIA; OXIDES; FUEL AB The purpose of this study is to investigate the role of stoichiometry in crystalline structure transformations in derivative fluorite compounds known as delta-gamma-beta phases in Sc2O3-ZrO2 phase diagram. Different composition polycrystalline delta-Sc4Zr3O12, gamma-Sc2Zr5O13 and beta-Sc2Zr7O17 samples were synthesized by mixing 40% Sc2O3 + 60% ZrO2, 16.67% Sc2O3 + 83.33% ZrO2, or 12.5% Sc2O3 + 87.5% ZrO2, respectively. The pressed and polished pellets of these compounds were then irradiated under liquid nitrogen temperature with 200 key Ne+ ions at a dose rate of similar to 1 x 10(12) ions/cm(2)/s. An order-to-disorder (O-D) transformation was observed for all compositions, as determined using grazing incidence X-ray diffraction (GIXRD) at an incident angle of 0.25 degrees. The O-D transformation threshold dose for delta-Sc4Zr3O12 (similar to 0.2 dpa) was found to be noticeably higher than that for gamma-Sc2Zr5O13 and beta-Sc2Zr7O17 (similar to 0.04 dpa) based on both GIXRD and cross-sectional transmission electron microscopy (TEM) measurements. However, due to experimental difficulty and uncertainty, our GIXRD and TEM data were unable to conclusively confirm that the O-D transformation threshold dose for gamma-Sc2Zr5O13 is in fact slightly higher than that for beta-Sc2Zr7O17 as expected from the phase diagram of Sc2O3-ZrO2 system. (C) 2011 Elsevier B.V. All rights reserved. C1 [Zhang, J.] Lanzhou Univ, Sch Nucl Sci & Technol, Lanzhou 730000, Gansu, Peoples R China. [Zhang, J.; Wang, Y. Q.; Valdez, J. A.; Tang, M.; Won, J.; Sickafus, K. E.] Los Alamos Natl Lab, Div Mat Sci & Technol, Los Alamos, NM 87545 USA. RP Zhang, J (reprint author), Lanzhou Univ, Sch Nucl Sci & Technol, Lanzhou 730000, Gansu, Peoples R China. EM jianchng@gmail.com RI Lujan Center, LANL/G-4896-2012; OI won, Jonghan/0000-0002-7612-1322 NR 12 TC 3 Z9 3 U1 0 U2 7 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD FEB 1 PY 2012 VL 272 BP 244 EP 248 DI 10.1016/j.nimb.2011.01.075 PG 5 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 903YS UT WOS:000301159900057 ER PT J AU Naito, M Nakanishi, R Machida, N Shigematsu, T Ishimaru, M Valdez, JA Sickafus, KE AF Naito, Muneyuki Nakanishi, Ryo Machida, Nobuya Shigematsu, Toshihiko Ishimaru, Manabu Valdez, James A. Sickafus, Kurt E. TI Growth of higher manganese suicides from amorphous manganese-silicon layers synthesized by ion implantation SO NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS LA English DT Article; Proceedings Paper CT 17th International Conference on Ion Beam Modification of Materials (IBMM) CY AUG 22-27, 2010 CL Montreal, CANADA DE Silicides; Amorphous; Transmission electron microscopy ID CRYSTAL-STRUCTURE; THIN-LAYERS; SI; SILICIDES; MNSI1.7; PHASE; MN15SI26 AB Atomistic structures of high-fluence Mn ion implanted Si were examined using transmission electron microscopy (TEM). Si(0 0 1) single crystals were irradiated at cryogenic temperature with 120 keV Mn ions to a fluence of 3.0 x 10(17)/cm(2). Cross-sectional TEM observations revealed that an amorphous bilayer consisting of amorphous Mn-Si and amorphous Si is formed on the topmost layer of the Si substrate. Atomic pair-distribution functions extracted from electron diffraction patterns indicated that short-range order of the amorphous Mn-Si thin layer is similar to the local atomic configuration of higher manganese silicides. The amorphous Mn-Si layer crystallized to Mn4Si7 polycrystalline layer by thermal annealing. (C) 2011 Elsevier B.V. All rights reserved. C1 [Naito, Muneyuki; Nakanishi, Ryo; Machida, Nobuya; Shigematsu, Toshihiko] Konan Univ, Dept Chem, Higashinada Ku, Kobe, Hyogo 6588501, Japan. [Ishimaru, Manabu] Osaka Univ, Inst Sci & Ind Res, Ibaraki, Osaka 5670047, Japan. [Valdez, James A.; Sickafus, Kurt E.] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. RP Naito, M (reprint author), Konan Univ, Dept Chem, Higashinada Ku, Kobe, Hyogo 6588501, Japan. EM naito22@center.konan-u.ac.jp NR 23 TC 7 Z9 7 U1 0 U2 6 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0168-583X J9 NUCL INSTRUM METH B JI Nucl. Instrum. Methods Phys. Res. Sect. B-Beam Interact. Mater. Atoms PD FEB 1 PY 2012 VL 272 BP 446 EP 449 DI 10.1016/j.nimb.2011.01.120 PG 4 WC Instruments & Instrumentation; Nuclear Science & Technology; Physics, Atomic, Molecular & Chemical; Physics, Nuclear SC Instruments & Instrumentation; Nuclear Science & Technology; Physics GA 903YS UT WOS:000301159900103 ER PT J AU Bulanov, SS Maksimchuk, A Schroeder, CB Zhidkov, AG Esarey, E Leemans, WP AF Bulanov, S. S. Maksimchuk, A. Schroeder, C. B. Zhidkov, A. G. Esarey, E. Leemans, W. P. TI Relativistic spherical plasma waves SO PHYSICS OF PLASMAS LA English DT Article ID WAKE-FIELD ACCELERATION; COLLIDING LASER-PULSES; ELECTRON-BEAMS; SELF-INJECTION; DENSITY; GENERATION; BREAKING AB Tightly focused laser pulses that diverge or converge in underdense plasma can generate wake waves, having local structures that are spherical waves. Here we study theoretically and numerically relativistic spherical wake waves and their properties, including wave breaking. (C) 2012 American Institute of Physics. [doi:10.1063/1.3683001] C1 [Bulanov, S. S.; Leemans, W. P.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Maksimchuk, A.] Univ Michigan, Ctr Ultrafast Opt Sci, Ann Arbor, MI 48109 USA. [Schroeder, C. B.; Esarey, E.; Leemans, W. P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Zhidkov, A. G.] Osaka Univ, Suita, Osaka 5650871, Japan. RP Bulanov, SS (reprint author), Univ Calif Berkeley, Berkeley, CA 94720 USA. OI Schroeder, Carl/0000-0002-9610-0166 FU NSF [PHY-0935197]; FOCUS Center at the University of Michigan; Office of Science of the US DOE [DE-AC02-05CH11231] FX We thank G. Mourou and S. Wilks for discussions and T. Zh. Esirkepov for providing REMP code for simulations. We appreciate support from the NSF under Grant No. PHY-0935197, the FOCUS Center at the University of Michigan, and the Office of Science of the US DOE under Contract No. DE-AC02-05CH11231 NR 48 TC 6 Z9 6 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 1070-664X J9 PHYS PLASMAS JI Phys. Plasmas PD FEB PY 2012 VL 19 IS 2 AR 020702 DI 10.1063/1.3683001 PG 4 WC Physics, Fluids & Plasmas SC Physics GA 907CQ UT WOS:000301395800003 ER PT J AU Dimits, AM AF Dimits, Andris M. TI Gyrokinetic equations for strong-gradient regions SO PHYSICS OF PLASMAS LA English DT Article ID GENERAL PLASMA EQUILIBRIA; TURBULENCE SIMULATIONS; PARTICLE SIMULATION; TRANSPORT BARRIERS; DRIVEN TURBULENCE; TOKAMAK; STABILITY AB A gyrokinetic theory is developed under a set of orderings applicable to the edge region of tokamaks and other magnetic confinement devices, as well as to internal transport barriers. The result is a practical set equations that is valid for large perturbation amplitudes [q delta psi/T = O(1), where delta psi = delta phi - nu(parallel to)delta A(parallel to)/c], which is straightforward to implement numerically, and which has straightforward expressions for its conservation properties. Here, delta phi and delta A(parallel to) are the perturbed electrostatic and parallel magnetic potentials, nu(parallel to) is the particle velocity, c is the speed of light, and T is the temperature. The derivation is based on the quantity epsilon (rho/lambda(perpendicular to))q delta psi/T << 1 as the small expansion parameter, where rho is the gyroradius and lambda(perpendicular to) is the perpendicular wavelength. Physically, this ordering requires that the E x B velocity and the component of the parallel velocity perpendicular to the equilibrium magnetic field are small compared to the thermal velocity. For nonlinear fluctuations saturated at "mixing-length" levels (i.e., at a level such that driving gradients in profile quantities are locally flattened), epsilon is of the order rho/L-p, where L-p is the equilibrium profile scale length, for all scales lambda(perpendicular to) ranging from rho to L-p. This is true even though q delta psi/T = O(1) for). lambda(perpendicular to) similar to L-p. Significant additional simplifications result from ordering L-p/L-B = O(epsilon), where L-B is the spatial scale of variation of the magnetic field. We argue that these orderings are well satisfied in strong-gradient regions, such as edge and scrapeoff layer regions and internal transport barriers in tokamaks, and anticipate that our equations will be useful as a basis for simulation models for these regions. (C) 2012 American Institute of Physics. [doi:10.1063/1.3683000] C1 Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Dimits, AM (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM dimits1@llnl.gov FU U.S. DOE by LLNL [DE-AC52-07NA27344] FX The author wishes to acknowledge useful discussions with and suggestions from I. Calvo, J. Candy, P. Catto, B. Cohen, R. Cohen, M. Dorf, D. Ernst, G. Hammett, J. Krommes, F. Parra, T. Rognlien, R. Waltz, and X. Q. Xu. This work was performed for U.S. DOE by LLNL under Contract DE-AC52-07NA27344, and is a part of the ESL. NR 34 TC 5 Z9 5 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 1070-664X J9 PHYS PLASMAS JI Phys. Plasmas PD FEB PY 2012 VL 19 IS 2 AR 022504 DI 10.1063/1.3683000 PG 9 WC Physics, Fluids & Plasmas SC Physics GA 907CQ UT WOS:000301395800026 ER PT J AU Gourdain, PA Greenly, JB Hammer, DA Kusse, BR Pikuz, SA Seyler, CE Shelkovenko, TC Knapp, PF AF Gourdain, P. -A. Greenly, J. B. Hammer, D. A. Kusse, B. R. Pikuz, S. A. Seyler, C. E. Shelkovenko, T. C. Knapp, P. F. TI Magnetohydrodynamic instabilities in radial foil configurations SO PHYSICS OF PLASMAS LA English DT Article ID PINCH AB While detrimental to plasma performance, magnetohydrodynamic plasma instabilities in radial foil configurations do not preclude intense x-ray radiations from the central plasma column. At most of the plasma current flows there, the column pinches generating x-rays. However, pinch comes with a kink instability which twists the column and prevents homogeneous compression. This instability leads to the disruption of the plasma bubble surrounding the central plasma column. Loss of symmetry in the resulting plasma expansion has been recorded. It is possible to reduce the impact of instabilities by increasing the initial plasma mass. The central column can also be stabilized by using a central rod, delaying the formation of the kink. (C) 2012 American Institute of Physics. [doi:10.1063/1.36778871 C1 [Gourdain, P. -A.; Greenly, J. B.; Hammer, D. A.; Kusse, B. R.; Pikuz, S. A.; Seyler, C. E.; Shelkovenko, T. C.] Cornell Univ, Plasma Studies Lab, Ithaca, NY 14853 USA. [Knapp, P. F.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Gourdain, PA (reprint author), Cornell Univ, Plasma Studies Lab, Ithaca, NY 14853 USA. EM gourdain@cornell.edu RI Pikuz, Sergey/M-8231-2015; Shelkovenko, Tatiana/M-8254-2015 FU National Nuclear Security Administration under NNSA/DOE [DE-FC52-06NA 00057]; NSF [PHY-1102471] FX This research was supported by the Stewardship Sciences Academic Alliances program of the National Nuclear Security Administration under NNSA/DOE Grant Cooperative Agreement # DE-FC52-06NA 00057 and by the NSF Grant # PHY-1102471. NR 16 TC 6 Z9 6 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 1070-664X J9 PHYS PLASMAS JI Phys. Plasmas PD FEB PY 2012 VL 19 IS 2 AR 022701 DI 10.1063/1.3677887 PG 6 WC Physics, Fluids & Plasmas SC Physics GA 907CQ UT WOS:000301395800031 ER PT J AU Grisham, LR von Halle, A Carpe, AF Rossi, G Gilton, KR McBride, ED Gilson, EP Stepanov, A Stevenson, TN AF Grisham, L. R. von Halle, A. Carpe, A. F. Rossi, Guy Gilton, K. R. McBride, E. D. Gilson, E. P. Stepanov, A. Stevenson, T. N. TI Exploratory test of utility of magnetic insulation for electrostatic accelerators SO PHYSICS OF PLASMAS LA English DT Article ID BACTERIAL-SPORES; CONDUCTIVITY; EMISSION; VACUUM AB A recent paper [L. R. Grisham, Phys. Plasmas 16, 043111 (2009)] proposed that a magnetic field which enveloped each of the electrodes in an electrostatic accelerator, along with their support structures, might suppress field emission of electrons and thus allows a higher electric field gradient to be applied between accelerator stages without the onset of vacuum electrical breakdown. Such a magnetic field configuration might be produced by flowing a substantial electric current through each accelerator grid and its support from high current low voltage supplies floated at each accelerator grid potential. This experimental note reports a preliminary exploratory test of whether this magnetic insulation approach might be of benefit at a modest magnetic field strength which could be suitable for practical accelerator applications. This experiment did not find evidence for an increase of the electrostatic potential gradient which could be sustained across a vacuum gap when the cathodic (electron-emitting) electrode was enveloped in a magnetic field of about 240 G. This note discusses a number of possible explanations for this observation as well as the inherent limitations of the experiment. (C) 2012 American Institute of Physics. [doi:10.1063/1.3683554] C1 [Grisham, L. R.; von Halle, A.; Carpe, A. F.; Rossi, Guy; Gilton, K. R.; McBride, E. D.; Gilson, E. P.; Stepanov, A.; Stevenson, T. N.] Princeton Univ, Plasma Phys Lab, Princeton, NJ 08543 USA. RP Grisham, LR (reprint author), Princeton Univ, Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. EM lgrisham@pppl.gov FU U.S. DOE [DE-AC02-09CH11466] FX This research was supported by U.S. DOE Contract No. DE-AC02-09CH11466. NR 18 TC 1 Z9 1 U1 2 U2 7 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 1070-664X J9 PHYS PLASMAS JI Phys. Plasmas PD FEB PY 2012 VL 19 IS 2 AR 023107 DI 10.1063/1.3683554 PG 5 WC Physics, Fluids & Plasmas SC Physics GA 907CQ UT WOS:000301395800048 ER PT J AU Griswold, ME Fisch, NJ Wurtele, JS AF Griswold, M. E. Fisch, N. J. Wurtele, J. S. TI Amended conjecture on an upper bound to time-dependent space-charge limited current SO PHYSICS OF PLASMAS LA English DT Article ID ONE-DIMENSIONAL DIODE; CHILD-LANGMUIR LAW; VACUUM; FLOW AB Notwithstanding the recent conjecture that the upper bound on the time-averaged current across a space-charge-limited diode is equal to the steady state Child-Langmuir limit (J(CL)), Zhu and Ang used a one-dimensional (ID) particle in cell (PIC) code to show that in the regime where space charge effects limit the current to only a few electrons at a time, the time-averaged current can exceed J(CL) by up to 13% [Y. Zhu and L. K. Ang, Appl. Phys. Lett. 98, 051502 (2011)]. These results are, in fact, verified using our own 1D PIC code. However, the increase in the current is due to special boundary conditions that pertain in this regime and not to the time dependence of the current. To rule out discreteness effects, the conjecture on the upper bound may be reformulated to include only the case when the electric field at the cathode does not fall below zero. (C) 2012 American Institute of Physics. [doi: 10.1063/1.3671961] C1 [Griswold, M. E.; Fisch, N. J.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Wurtele, J. S.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RP Griswold, ME (reprint author), Princeton Univ, Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. RI wurtele, Jonathan/J-6278-2016 OI wurtele, Jonathan/0000-0001-8401-0297 FU DOE [DE-AC02-09CH11466] FX This work was supported by DOE Contract No. DE-AC02-09CH11466. M. E. Griswold was supported by a Department of Energy Fusion Energy Sciences fellowship. NR 16 TC 9 Z9 9 U1 0 U2 3 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 1070-664X J9 PHYS PLASMAS JI Phys. Plasmas PD FEB PY 2012 VL 19 IS 2 AR 024502 DI 10.1063/1.3671961 PG 2 WC Physics, Fluids & Plasmas SC Physics GA 907CQ UT WOS:000301395800076 ER PT J AU Guttenfelder, W Candy, J Kaye, SM Nevins, WM Bell, RE Hammett, GW LeBlanc, BP Yuh, H AF Guttenfelder, W. Candy, J. Kaye, S. M. Nevins, W. M. Bell, R. E. Hammett, G. W. LeBlanc, B. P. Yuh, H. TI Scaling of linear microtearing stability for a high collisionality National Spherical Torus Experiment discharge SO PHYSICS OF PLASMAS LA English DT Article ID M TEARING MODES; KINETIC-THEORY; INSTABILITIES; TRANSPORT; GRADIENT; TOKAMAK; CONFINEMENT; EQUILIBRIUM; NSTX AB Linear gyrokinetic simulations are performed based on a high colt isionality NSTX discharge that is part of dimensionless confinement scaling studies. In this discharge, the microtearing mode is predicted to be unstable over a significant region of the plasma (r/a = 0.5-0.8), motivating comprehensive tests to verify the nature of the mode and how it scales with physical parameters. The mode is found to be destabilized with sufficient electron temperature gradient, collisionality, and beta, consistent with previous findings and simple theoretical expectations. Consistent with early slab theories, growth rates peak at a finite ratio of electron-ion collision frequency over mode frequency, nu(e/i)/omega similar to 1-6. Below this peak, the mode growth rate decreases with reduced collisionality, qualitatively consistent with global confinement observations. Also, in this region, increased effective ionic charge (Z(eff)) is found to be destabilizing. Experimental electron beta and temperature gradients are two to three times larger than the inferred linear thresholds. Increasing magnetic shear (s) and decreasing safety factor (q) are both destabilizing for ratios around the experimental values s/q = 0.6-1.3. Both the Z(eff) and s/q scaling are opposite to those expected for the ETG instability offering an opportunity to experimentally distinguish the two modes. Finally, we note that the kinetic ballooning mode is found to compete with the microtearing mode at outer locations r/a >= 0.8. [doi:10.1063/1.3685698] C1 [Guttenfelder, W.; Kaye, S. M.; Bell, R. E.; Hammett, G. W.; LeBlanc, B. P.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Candy, J.] Gen Atom Co, San Diego, CA 92186 USA. [Nevins, W. M.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Yuh, H.] Nova Photon Inc, Princeton, NJ 08540 USA. RP Guttenfelder, W (reprint author), Princeton Plasma Phys Lab, POB 451, Princeton, NJ 08543 USA. RI Hammett, Gregory/D-1365-2011 OI Hammett, Gregory/0000-0003-1495-6647 FU DOE [DE-AC02-09CH11466, DE-FG03-95ER54309, DE-AC52-07NA27344] FX We acknowledge useful discussions with S. P. Gerhardt, J. E. Menard, D. R. Mikkelsen, J. L. Peterson, and Y. Ren. This work was supported by DOE Contract Nos. DE-AC02-09CH11466, DE-FG03-95ER54309, and DE-AC52-07NA27344. NR 56 TC 25 Z9 25 U1 1 U2 4 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 1070-664X J9 PHYS PLASMAS JI Phys. Plasmas PD FEB PY 2012 VL 19 IS 2 AR 022506 DI 10.1063/1.3685698 PG 11 WC Physics, Fluids & Plasmas SC Physics GA 907CQ UT WOS:000301395800028 ER PT J AU King, JD La Haye, RJ Petty, CC Osborne, TH Lasnier, CJ Groebner, RJ Volpe, FA Lanctot, MJ Makowski, MA Holcomb, CT Solomon, WM Allen, SL Luce, TC Austin, ME Meyer, WH Morse, EC AF King, J. D. La Haye, R. J. Petty, C. C. Osborne, T. H. Lasnier, C. J. Groebner, R. J. Volpe, F. A. Lanctot, M. J. Makowski, M. A. Holcomb, C. T. Solomon, W. M. Allen, S. L. Luce, T. C. Austin, M. E. Meyer, W. H. Morse, E. C. TI Hybrid-like 2/1 flux-pumping and magnetic island evolution due to edge localized mode-neoclassical tearing mode coupling in DIII-D SO PHYSICS OF PLASMAS LA English DT Article ID CYCLOTRON CURRENT DRIVE; D TOKAMAK; PERFORMANCE; STABILIZATION; DISCHARGES; POLARIMETRY; PREVENTION; SCENARIO; UPGRADE; ITER AB Direct analysis of internal magnetic field pitch angles measured using the motional Stark effect diagnostic shows m/n = 2/1 neoclassical tearing modes exhibit stronger poloidal magnetic flux-pumping than typical hybrids containing m/n = 3/2 modes. This flux-pumping causes the avoidance of sawteeth, and is present during partial electron cyclotron current drive suppression of the tearing mode. This finding could lead to hybrid discharges with higher normalized fusion performance at lower q(95). The degree of edge localized mode-neoclassical tearing mode (ELM-NTM) coupling and the strength of flux-pumping increase with beta and the proximity of the modes to the ELMing pedestal. Flux-pumping appears independent of magnetic island width. Individual ELM-NTM coupling events show a rapid timescale drop in the island width followed by a resistive recovery that is successfully modeled using the modified Rutherford equation. The fast transient drop in island width increases with ELM size. (C) 2012 American Institute of Physics. [doi :10.1063/1.3684648] C1 [King, J. D.; Lasnier, C. J.; Lanctot, M. J.; Makowski, M. A.; Holcomb, C. T.; Allen, S. L.; Meyer, W. H.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [King, J. D.; Morse, E. C.] Univ Calif Berkeley, Berkeley, CA 94720 USA. [La Haye, R. J.; Petty, C. C.; Osborne, T. H.; Groebner, R. J.; Luce, T. C.] Gen Atom Co, San Diego, CA 92186 USA. [Volpe, F. A.] Univ Wisconsin, Madison, WI 53715 USA. [Solomon, W. M.] Princeton Univ, Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Austin, M. E.] Univ Texas Austin, Austin, TX 78712 USA. RP King, JD (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RI Volpe, Francesco/D-2994-2009; Lanctot, Matthew J/O-4979-2016; OI Volpe, Francesco/0000-0002-7193-7090; Lanctot, Matthew J/0000-0002-7396-3372; Solomon, Wayne/0000-0002-0902-9876 FU U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; USDOE [DE-FG03-89ER51116, DE-FC02-04ER54698, DE-FG02-92ER54139, DE-FG03-97ER54415] FX This work was preformed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Grant No. DE-AC52-07NA27344 and in part by the USDOE under DE-FG03-89ER51116, DE-FC02-04ER54698, DE-FG02-92ER54139, and DE-FG03-97ER54415. NR 35 TC 1 Z9 1 U1 0 U2 7 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 1070-664X J9 PHYS PLASMAS JI Phys. Plasmas PD FEB PY 2012 VL 19 IS 2 AR 022503 DI 10.1063/1.3684648 PG 8 WC Physics, Fluids & Plasmas SC Physics GA 907CQ UT WOS:000301395800025 ER PT J AU Liu, YH Drake, JF Swisdak, M AF Liu, Yi-Hsin Drake, J. F. Swisdak, M. TI The structure of the magnetic reconnection exhaust boundary SO PHYSICS OF PLASMAS LA English DT Article ID ANOMALOUS SLOW SHOCKS; MAGNETOTAIL RECONNECTION; KINETIC STRUCTURE; ION DYNAMICS; SOLAR-WIND; COLLISIONLESS; PLASMAS; LAYER; MAGNETOPAUSE; SIMULATIONS AB The structure of shocks that form at the exhaust boundaries during collisionless reconnection of anti-parallel fields is studied using particle-in-cell (PIC) simulations and modeling based on the an isotropic magnetohydrodynamic equations. Large-scale PIC simulations of reconnection and companion Riemann simulations of shock development demonstrate that the pressure anisotropy produced by counterstreaming ions within the exhaust prevents the development of classical Petschek switch-off-slow shocks (SSS). The shock structure that does develop is controlled by the firehose stability parameter epsilon = 1 - mu(0) (P-parallel to-P-perpendicular to)/B-2 through its influence on the speed order of the intermediate and slow waves. Here, P-parallel to and P-perpendicular to are the pressure parallel and perpendicular to the local magnetic field. The exhaust boundary is made up of a series of two shocks and a rotational wave. The first shock takes epsilon from unity upstream to a plateau of 0.25 downstream. The condition epsilon = 0.25 is special because at this value, the speeds of nonlinear slow and intermediate waves are degenerate. The second slow shock leaves epsilon = 0.25 unchanged but further reduces the amplitude of the reconnecting magnetic field. Finally, in the core of the exhaust, epsilon drops further and the transition is completed by a rotation of the reconnecting field into the out-of-plane direction. The acceleration of the exhaust takes place across the two slow shocks but not during the final rotation. The result is that the outflow speed falls below that expected from the Walen condition based on the asymptotic magnetic field. A simple analytic expression is given for the critical value of epsilon within the exhaust below which SSSs no longer bound the reconnection outflow. [doi:10.1063/1.3685755] C1 [Liu, Yi-Hsin] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Drake, J. F.; Swisdak, M.] Univ Maryland, College Pk, MD 20742 USA. RP Liu, YH (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI NASA MMS, Science Team/J-5393-2013 OI NASA MMS, Science Team/0000-0002-9504-5214 FU NASA [NNX08AV87G, NNX09A102G]; DOE/NSF FX After submitting this paper, we became aware that Higashimori and Hoshino have also discussed the importance of the temperature anisotropy in the formation of slow shock in large reconnection simulations in a hybrid code.32 Y.-H.L. acknowledges helpful discussions with W. Daughton, H. Karimabadi, and H. Li. This work was supported in part by NASA Grant Nos. NNX08AV87G and NNX09A102G, NASA's Heliophysics Theory Program, and a Grant from the DOE/NSF partnership in basic plasma physics. Computations were carried out at the National Energy Research Scientific Computing Center. NR 35 TC 28 Z9 28 U1 1 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 1070-664X J9 PHYS PLASMAS JI Phys. Plasmas PD FEB PY 2012 VL 19 IS 2 AR 022110 DI 10.1063/1.3685755 PG 9 WC Physics, Fluids & Plasmas SC Physics GA 907CQ UT WOS:000301395800015 ER PT J AU Malkin, VM Toroker, Z Fisch, NJ AF Malkin, V. M. Toroker, Z. Fisch, N. J. TI Laser duration and intensity limits in plasma backward Raman amplifiers SO PHYSICS OF PLASMAS LA English DT Article ID PULSE-PROPAGATION; AMPLIFICATION; COMPRESSION; SCATTERING AB The shortest duration and the largest non-focused intensity of laser pulses produced by means of backward Raman amplification (BRA) in plasmas are calculated. These limits occur in moderately undercritical plasmas and are imposed by combined effects of moderately small group velocity dispersion and relativistic electron nonlinearity of the amplified pulses. The efficient BRA range covered by this theory is broader than one known previously. This can be useful for BRA of x-ray pulses in regular or compressed solids and ultra-powerful optical pulses in the lowest density solids. (C) 2012 American Institute of Physics. [doi :10.1063/1.3683558] C1 [Malkin, V. M.; Fisch, N. J.] Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08540 USA. [Toroker, Z.; Fisch, N. J.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. RP Malkin, VM (reprint author), Princeton Univ, Dept Astrophys Sci, Princeton, NJ 08540 USA. FU NNSA SSAA through DOE [DE274-FG52-08NA28553] FX This work was supported through the NNSA SSAA Program through DOE Research Grant No. DE274-FG52-08NA28553. NR 29 TC 16 Z9 16 U1 0 U2 2 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 1070-664X EI 1089-7674 J9 PHYS PLASMAS JI Phys. Plasmas PD FEB PY 2012 VL 19 IS 2 AR 023109 DI 10.1063/1.3683558 PG 5 WC Physics, Fluids & Plasmas SC Physics GA 907CQ UT WOS:000301395800050 ER PT J AU Myatt, JF Zhang, J Delettrez, JA Maximov, AV Short, RW Seka, W Edgell, DH DuBois, DF Russell, DA Vu, HX AF Myatt, J. F. Zhang, J. Delettrez, J. A. Maximov, A. V. Short, R. W. Seka, W. Edgell, D. H. DuBois, D. F. Russell, D. A. Vu, H. X. TI The dynamics of hot-electron heating in direct-drive-implosion experiments caused by two-plasmon-decay instability SO PHYSICS OF PLASMAS LA English DT Article ID PLASMON DECAY INSTABILITY; INHOMOGENEOUS-PLASMA; PARAMETRIC-INSTABILITIES; SATURATION; PARTICLE; TURBULENCE; SPACE; MODES AB Two-plasmon-decay (TPD) instability is identified as a potential source of target preheat in direct-drive-implosion experiments on OMEGA. A physical model of electron heating is developed that relies on extended Zakharov simulations to predict the nonlinearly saturated Langmuir wave spectrum. Hot electron generation is estimated via a test-particle approach. It is noted that because of the relatively low areal density of the targets during the time of TPD instability, hot-electron recirculation and reheating are potentially important effects. This is modeled by a particular form of boundary conditions on the test particles. Such boundary conditions might prove useful in other kinetic simulations of particle heating where recirculation is a possibility. (C) 2012 American Institute of Physics. [doi:10.1063/1.3683004] C1 [Myatt, J. F.; Zhang, J.; Delettrez, J. A.; Maximov, A. V.; Short, R. W.; Seka, W.; Edgell, D. H.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. [DuBois, D. F.; Russell, D. A.] Lodestar Res Corp, Boulder, CO 80301 USA. [Vu, H. X.] Univ Calif San Diego, Dept Elect & Comp Engn, La Jolla, CA 92093 USA. [Zhang, J.] Univ Rochester, Dept Mech Engn, Rochester, NY 14627 USA. [DuBois, D. F.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Myatt, JF (reprint author), Univ Rochester, Laser Energet Lab, 250 E River Rd, Rochester, NY 14623 USA. RI Lujan Center, LANL/G-4896-2012 FU U.S. Department of Energy Office of Inertial Confinement Fusion [DE-FC52-08NA28302]; National Nuclear Security Agency through its High-Energy Density Laboratory Plasmas [DE-FG52-09NA29545] FX This work was supported by the U.S. Department of Energy Office of Inertial Confinement Fusion under Cooperative Agreement No. DE-FC52-08NA28302 and by the National Nuclear Security Agency through its High-Energy Density Laboratory Plasmas Grant No. DE-FG52-09NA29545. NR 48 TC 19 Z9 19 U1 2 U2 7 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 1070-664X J9 PHYS PLASMAS JI Phys. Plasmas PD FEB PY 2012 VL 19 IS 2 AR 022707 DI 10.1063/1.3683004 PG 12 WC Physics, Fluids & Plasmas SC Physics GA 907CQ UT WOS:000301395800037 ER PT J AU Zhang, P Lau, YY Rittersdort, IM Weis, MR Gilgenbach, RM Chalenski, D Slutz, SA AF Zhang, Peng Lau, Y. Y. Rittersdort, I. M. Weis, M. R. Gilgenbach, R. M. Chalenski, D. Slutz, S. A. TI Effects of magnetic shear on magneto-Rayleigh-Taylor instability SO PHYSICS OF PLASMAS LA English DT Article ID DYNAMIC-Z-PINCHES; HYDRODYNAMIC INSTABILITIES; THETA-PINCHES; SHELL; SIMULATIONS; STABILITY AB The magnetized liner inertial fusion concept [S. A. Slutz et al., Phys. Plasmas 17, 056303 (2010)] consists of a cylindrical metal liner enclosing a preheated plasma that is embedded in an axial magnetic field. Because of its diffusion into the liner, the pulsed azimuthal magnetic field may exhibit a strong magnetic shear within the liner, offering the interesting possibility of shear stabilization of the magneto-Rayleigh-Taylor (MRT) instability. Here, we use the ideal MHD model to study this effect of magnetic shear in a finite slab. It is found that magnetic shear reduces the MRT growth rate in general. The feedthrough factor is virtually independent of magnetic shear. In the limit of infinite magnetic shear, all MRT modes are stable if b(u) > 1, where b(u) is the ratio of the perturbed magnetic tension in the liner's interior region to the acceleration during implosion. (C) 2012 American Institute of Physics. [doi:10.1063/1.3680646] C1 [Zhang, Peng; Lau, Y. Y.; Rittersdort, I. M.; Weis, M. R.; Gilgenbach, R. M.; Chalenski, D.] Univ Michigan, Dept Nucl Engn & Radiol Sci, Ann Arbor, MI 48109 USA. [Slutz, S. A.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Zhang, P (reprint author), Univ Michigan, Dept Nucl Engn & Radiol Sci, Ann Arbor, MI 48109 USA. EM yylau@umich.edu RI Zhang, Peng/C-8257-2011 OI Zhang, Peng/0000-0003-0606-6855 FU DoE [DE-SC0002590]; NSF [PHY 0903340]; US DoE through Sandia National Labs [240985, 76822]; US DoE's NNSA [DE-AC04-94AL85000] FX We acknowledge fruitful discussions with Dan Sinars, Mike Cuneo, Mark Herrmann, Sasha Velikovich, and Dimitri Ryutov. This work was supported by DoE award number DE-SC0002590, NSF grant number PHY 0903340, and by US DoE through Sandia National Labs award numbers 240985 and 76822 to the U of Michigan. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the US DoE's NNSA under Contract DE-AC04-94AL85000. NR 36 TC 13 Z9 13 U1 1 U2 13 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 1070-664X J9 PHYS PLASMAS JI Phys. Plasmas PD FEB PY 2012 VL 19 IS 2 AR 022703 DI 10.1063/1.3680646 PG 6 WC Physics, Fluids & Plasmas SC Physics GA 907CQ UT WOS:000301395800033 ER PT J AU Adaniya, H Slaughter, DS Osipov, T Weber, T Belkacem, A AF Adaniya, H. Slaughter, D. S. Osipov, T. Weber, T. Belkacem, A. TI A momentum imaging microscope for dissociative electron attachment SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID NEGATIVE-ION FORMATION; ANGULAR DISTRIBUTION; CROSS-SECTIONS; ENERGY; WATER; H2O; IONIZATION; EXCITATION; DEPENDENCE; OXYGEN AB We describe an experimental approach to image the three-dimensional (3D) momentum distribution of the negative ions arising from dissociative electron attachment (DEA). The experimental apparatus employs a low energy pulsed electron gun, an effusive gas source and a 4 pi solid-angle ion momentum imaging spectrometer consisting of a pulsed ion extraction field, an electrostatic lens, and a time- and position-sensitive detector. The time-of-Flight and impact position of each negative ion are measured event by event in order to image the full 3D ion momentum sphere. The system performance is tested by measuring the anion momentum distributions from two DEA resonances, namely H- from H2O- (B-2(1))and O- from O-2(-) ((2)Pi(u)). The results are compared with existing experimental and theoretical data. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3685244] C1 [Adaniya, H.; Slaughter, D. S.; Osipov, T.; Weber, T.; Belkacem, A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Adaniya, H (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM ABelkacem@lbl.gov RI Weber, Thorsten/K-2586-2013 OI Weber, Thorsten/0000-0003-3756-2704 FU U.S. Department of Energy (DOE) by LBNL [DE-AC02-05CH11231]; DOE Office of Basic Energy Sciences, Division of Chemical Science FX This work was performed under the auspices of the U.S. Department of Energy (DOE) by LBNL under Contract No. DE-AC02-05CH11231 and was supported by the DOE Office of Basic Energy Sciences, Division of Chemical Science. NR 47 TC 11 Z9 11 U1 0 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 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 023106 DI 10.1063/1.3685244 PN 1 PG 7 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 909LS UT WOS:000301566600009 PM 22380078 ER PT J AU Dolan, DH Ao, T Hernandez, O AF Dolan, D. H. Ao, T. Hernandez, O. TI Note: Frequency-conversion photonic Doppler velocimetry with an inverted circulator SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article AB Photonic Doppler velocimetry (PDV) is a fiber-based interferometer used in dynamic compression research. Conventional PDV systems are simple to construct but do not perform well in all measurement conditions, while universal PDV systems that support many different configurations are complex and expensive. A simpler approach is the use of external, inverted circulators which can be added and removed in a modular fashion. This technique permits frequency-conversion measurements with a conventional PDV system. Using a correction to remove baseline effects, frequency conversion systems can resolve low velocity transients that conventional PDV cannot. 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3688851] C1 [Dolan, D. H.; Ao, T.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Hernandez, O.] Univ Texas El Paso, El Paso, TX 79968 USA. RP Dolan, DH (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM dhdolan@sandia.gov FU United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors thank Tom Thornhill for his assistance with the impact experiment at the STAR facility. The external frequency-conversion PDV prototype and later system revisions were built by Scott Walker. Jason Podsednik and Brook Jilek provided many useful discussions on fiber circulators and combiners. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. NR 10 TC 6 Z9 6 U1 0 U2 6 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 026109 DI 10.1063/1.3688851 PN 1 PG 3 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 909LS UT WOS:000301566600075 PM 22380143 ER PT J AU Kelly, JF Sams, RL Blake, TA Newburn, M Moran, J Alexander, ML Kreuzer, H AF Kelly, J. F. Sams, R. L. Blake, T. A. Newburn, M. Moran, J. Alexander, M. L. Kreuzer, H. TI A capillary absorption spectrometer for stable carbon isotope ratio (C-13/C-12) analysis in very small samples SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID QUANTUM CASCADE LASER; GLASS WAVE-GUIDES; 4.3 MU-M; MASS-SPECTROMETRY; HIGH-PRECISION; FIELD-MEASUREMENTS; DIODE-LASERS; SPECTROSCOPY; CO2; DIOXIDE AB A capillary absorption spectrometer (CAS) suitable for IR laser isotope analysis of small CO2 samples is presented. The system employs a continuous-wave (cw) quantum cascade laser to study nearly adjacent rovibrational transitions of different isotopologues of CO2 near 2307 cm(-1) (4.34 mu m). This initial CAS system can achieve relative isotopic precision of about 10 ppm C-13, or similar to 1 parts per thousand (per mil in delta notation relative to Vienna Pee Dee Belemnite) with 20-100 picomoles of entrained sample within the hollow waveguide for CO2 concentrations similar to 400-750 ppm. Isotopic analyses of such gas fills in a 1-mm ID hollow waveguide of 0.8 m overall physical path length can be carried out down to similar to 2 Torr. Overall C-13/C-12 ratios can be calibrated to similar to 2 parts per thousand accuracy with diluted CO2 standards. A novel, low-cost method to reduce cw-fringing noise resulting from multipath distortions in the hollow waveguide is presented, which allows weak absorbance features to be studied at the few ppm level (peak-to-rms) after 1000 scans are co-added in similar to 10 s. The CAS is meant to work directly with converted CO2 samples from a laser ablation-catalytic combustion micro-sampler to provide C-13/C-12 ratios of small biological isolates currently operating with spatial resolutions similar to 50 mu m. (C) 2012 American Institute of Physics. [doi: 10.1063/1.3680593] C1 [Kelly, J. F.; Sams, R. L.; Blake, T. A.; Newburn, M.; Moran, J.; Alexander, M. L.; Kreuzer, H.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Kelly, JF (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM jfk@pnnl.gov OI Moran, James/0000-0001-9081-9017 FU Department of Energy's Office of Biological and Environmental Research located at the Pacific Northwest National Laboratory; Unites States Department of Energy by Battelle [DE-AC06-76RLO 1830]; PNNL Laboratory as part of the Microbial Communities Initiative (MCI); W. R. Wiley Environmental Molecular Sciences Laboratory FX This research was performed at the W. R. Wiley Environmental Molecular Sciences Laboratory, a national user facility sponsored by the Department of Energy's Office of Biological and Environmental Research located at the Pacific Northwest National Laboratory. Pacific Northwest National Laboratory is operated for the Unites States Department of Energy by Battelle under Contract No. DE-AC06-76RLO 1830. Funding was provided by the PNNL Laboratory Directed Research and Development program as part of the Microbial Communities Initiative (MCI) and by the W. R. Wiley Environmental Molecular Sciences Laboratory as part of a partner proposal with the MCI. NR 51 TC 3 Z9 3 U1 3 U2 21 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 023101 DI 10.1063/1.3680593 PN 1 PG 14 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 909LS UT WOS:000301566600004 PM 22380073 ER PT J AU Mattern, BA Seidler, GT Haave, M Pacold, JI Gordon, RA Planillo, J Quintana, J Rusthoven, B AF Mattern, B. A. Seidler, G. T. Haave, M. Pacold, J. I. Gordon, R. A. Planillo, J. Quintana, J. Rusthoven, B. TI A plastic miniature x-ray emission spectrometer based on the cylindrical von Hamos geometry SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID FLUORESCENCE SPECTROMETRY; ATOMIC SPECTROMETRY; LOWER MANTLE; SPIN TRANSITION; SPECTROSCOPY; CRYSTAL; ABSORPTION; SCATTERING; ANALYZER; UPDATE AB We present a short working distance miniature x-ray emission spectrometer (miniXES) based on the cylindrical von Hamos geometry. We describe the general design principles for the spectrometer and detail a specific implementation that covers K beta and valence level emission from Fe. Large spatial and angular access to the sample region provides compatibility with environmental chambers, microprobe, and pump/probe measurements. The primary spectrometer structure and optic is plastic, printed using a 3-dimensional rapid-prototype machine. The spectrometer is inexpensive to construct and is portable; it can be quickly set up at any focused beamline with a tunable narrow bandwidth monochromator. The sample clearance is over 27 mm, providing compatibility with a variety of environment chambers. An overview is also given of the calibration and data processing procedures, which are implemented by a multiplatform user-friendly software package. Finally, representative measurements are presented. Background levels are below the level of the K beta(2,5) valence emission, the weakest diagram line in the system, and photometric analysis of count rates finds that the instrument is performing at the theoretical limit. (C) 2012 American Institute of Physics. [doi:10.1063/1.3680598] C1 [Mattern, B. A.; Seidler, G. T.; Haave, M.; Pacold, J. I.] Univ Washington, Dept Phys, Seattle, WA 98195 USA. [Gordon, R. A.] Simon Fraser Univ, Dept Phys, Burnaby, BC V5A 1S6, Canada. [Planillo, J.] Rensselaer Polytech Inst, Dept Phys, Troy, NY 12180 USA. [Quintana, J.; Rusthoven, B.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Mattern, BA (reprint author), Univ Washington, Dept Phys, Seattle, WA 98195 USA. EM seidler@uw.edu RI Seidler, Gerald/I-6974-2012; OI Pacold, Joseph/0000-0002-4697-5896 FU U.S. Department of Energy (DOE), Basic Energy Sciences [DE-SC0002194]; NSERC; University of Washington; Simon Fraser University; Advanced Photon Source; U.S. DOE [DE-AC02-06CH11357] FX G.T.S. acknowledges support of this research program by the U.S. Department of Energy (DOE), Basic Energy Sciences, under award DE-SC0002194. PNC/XSD facilities at the Advanced Photon Source, and research at these facilities, are supported by the U.S. Department of Energy, Basic Energy Sciences, a major resources support grant from NSERC, the University of Washington, Simon Fraser University, and the Advanced Photon Source. Use of the Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. NR 63 TC 23 Z9 23 U1 2 U2 17 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 023901 DI 10.1063/1.3680598 PN 1 PG 9 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 909LS UT WOS:000301566600033 PM 22380101 ER PT J AU Reininger, R Hulbert, SL Johnson, PD Sadowski, JT Starr, DE Chubar, O Valla, T Vescovo, E AF Reininger, R. Hulbert, S. L. Johnson, P. D. Sadowski, J. T. Starr, D. E. Chubar, O. Valla, T. Vescovo, E. TI The electron spectro-microscopy beamline at National Synchrotron Light Source II: A wide photon energy range, micro-focusing beamline for photoelectron spectro-microscopies SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID AMBIENT-PRESSURE; PHOTOEMISSION; NM AB A comprehensive optical design for a high-resolution, high-flux, wide-energy range, micro-focused beamline working in the vacuum ultraviolet and soft x-ray photon energy range is proposed. The beamline is to provide monochromatic radiation to three photoelectron microscopes: a full-field x-ray photoelectron emission microscope and two scanning instruments, one dedicated to angle resolved photoemission spectroscopy (mu-ARPES) and one for ambient pressure x-ray photoelectron spectroscopy and scanning photoelectron microscopy (AP-XPS/SPEM). Microfocusing is achieved with state of the art elliptical cylinders, obtaining a spot size of 1 mu m for ARPES and 0.5 mu m for AP-XPS/SPEM. A detailed ray tracing analysis quantitatively evaluates the overall beamline performances. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3681440] C1 [Reininger, R.; Hulbert, S. L.; Chubar, O.; Vescovo, E.] Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. [Johnson, P. D.; Valla, T.] Brookhaven Natl Lab, Condensed Matter Phys & Mat Sci, Upton, NY 11973 USA. [Sadowski, J. T.; Starr, D. E.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Reininger, R (reprint author), Brookhaven Natl Lab, Photon Sci Directorate, Upton, NY 11973 USA. RI Chubar, Oleg/B-6286-2014; OI Sadowski, Jerzy/0000-0002-4365-7796 FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX The National Synchrotron Light Source and the Center for Functional Nanomaterials, Brookhaven National Laboratory, are supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. NR 25 TC 2 Z9 2 U1 4 U2 47 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 023102 DI 10.1063/1.3681440 PN 1 PG 8 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 909LS UT WOS:000301566600005 PM 22380074 ER PT J AU Stoupin, S Shvyd'ko, Y Shu, DM Khachatryan, R Xiao, XH DeCarlo, F Goetze, K Roberts, T Roehrig, C Deriy, A AF Stoupin, Stanislav Shvyd'ko, Yuri Shu, Deming Khachatryan, Ruben Xiao, Xianghui DeCarlo, Francesco Goetze, Kurt Roberts, Timothy Roehrig, Christian Deriy, Alexey TI Hard x-ray monochromator with milli-electron volt bandwidth for high-resolution diffraction studies of diamond crystals SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID MOSSBAUER WAVELENGTH STANDARD; SYNCHROTRON-RADIATION; REFLECTIVITY AB We report on design and performance of a high-resolution x-ray monochromator with a spectral bandwidth of Delta E-X similar or equal to 1.5 meV, which operates at x-ray energies in the vicinity of the backscattering (Bragg) energy E-H = 13.903 keV of the (008) reflection in diamond. The monochromator is utilized for high-energy-resolution diffraction characterization of diamond crystals as elements of advanced x-ray crystal optics for synchrotrons and x-ray free-electron lasers. The monochromator and the related controls are made portable such that they can be installed and operated at any appropriate synchrotron beamline equipped with a pre-monochromator. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3684876] C1 [Stoupin, Stanislav; Shvyd'ko, Yuri; Shu, Deming; Khachatryan, Ruben; Xiao, Xianghui; DeCarlo, Francesco; Goetze, Kurt; Roberts, Timothy; Roehrig, Christian; Deriy, Alexey] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. RP Stoupin, S (reprint author), Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. FU U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX Dedicated to the memory of Dr. Ruben Khachatryan, our coauthor, colleague and friend who sadly passed away prior to publication of this paper. We are indebted to K.-J. Kim for stimulating interest and encouragement. We thank E. Wrobel for help during experiments and M. Wieczorek for help in crystal fabrication. The work was partially performed in the framework of the LDRD on XFELOs at Argonne National Laboratory. Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 27 TC 2 Z9 2 U1 1 U2 6 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 023105 DI 10.1063/1.3684876 PN 1 PG 6 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 909LS UT WOS:000301566600008 PM 22380077 ER PT J AU Stoyer, MA Velsko, CA Spears, BK Hicks, DG Hudson, GB Sangster, TC Freeman, CG AF Stoyer, M. A. Velsko, C. A. Spears, B. K. Hicks, D. G. Hudson, G. B. Sangster, T. C. Freeman, C. G. TI Collection of solid and gaseous samples to diagnose inertial confinement fusion implosions SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID RADIOCHEMISTRY MEASUREMENTS; NEUTRON-ACTIVATION; PHEBUS LASER; TARGETS; TRACER AB Collection of representative samples of debris following inertial confinement fusion implosions in order to diagnose implosion conditions and efficacy is a challenging endeavor because of the unique conditions within the target chamber such as unconverted laser light, intense pulse of x-rays, physical chunks of debris, and other ablative effects. We present collection of gas samples following an implosion for the first time. High collection fractions for noble gases were achieved. We also present collection of solid debris samples on flat plate collectors. Geometrical collection efficiencies for Au hohlraum material were achieved and collection of capsule debris (Be and Cu) was also observed. Asymmetric debris distributions were observed for Au and Be samples. Collection of Be capsule debris was higher for solid collectors viewing the capsule through the laser entrance hole in the hohlraum than for solid collectors viewing the capsule around the waist of the hohlraum. Collection of Au hohlraum material showed the opposite pattern: more Au debris was collected around the waist than through the laser entrance hole. The solid debris collectors were not optimized for minimal Cu backgrounds, which limited the conclusions about the symmetry of the Cu debris. The quality of the data limited conclusions on chemical fractionation effects within the burning, expanding, and then cooling plasma. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3685250] C1 [Stoyer, M. A.; Velsko, C. A.; Spears, B. K.; Hicks, D. G.; Hudson, G. B.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [Sangster, T. C.] Univ Rochester, Laser Energet Lab, Rochester, NY 14623 USA. [Freeman, C. G.] SUNY Coll Geneseo, Geneseo, NY 14454 USA. RP Stoyer, MA (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM mastoyer@llnl.gov RI Hicks, Damien/B-5042-2015 OI Hicks, Damien/0000-0001-8322-9983 FU U.S. Department of Energy (DOE) by Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX We wish to acknowledge the staff at the Laboratory for Laser Energetics (LLE) OMEGA laser for impeccable delivery of the laser required for these experiments. We wish to thank Greg Pien, Jack Armstrong, and Chuck Sorce for their help in fielding these experiments at LLE. We wish to gratefully acknowledge Wayne Culham for technical assistance in performing the noble gas measurements and Rachel Lindvall for performing the ICP-MS measurements. This work was performed under the auspices of the U.S. Department of Energy (DOE) by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344. NR 15 TC 2 Z9 2 U1 0 U2 9 PU AMER INST PHYSICS PI MELVILLE PA 1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501 USA SN 0034-6748 EI 1089-7623 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 023505 DI 10.1063/1.3685250 PN 1 PG 9 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 909LS UT WOS:000301566600021 PM 22380089 ER PT J AU Taccetti, JM Keiter, PA Lanier, N Mussack, K Belle, K Magelssen, GR AF Taccetti, J. M. Keiter, P. A. Lanier, N. Mussack, K. Belle, K. Magelssen, G. R. TI A technique for measuring the propagation of a supersonic radiation front in foam via spatially resolved spectral imaging of a tracer layer SO REVIEW OF SCIENTIFIC INSTRUMENTS LA English DT Article ID LOW-DENSITY; IONIZATION FRONTS; TARGETS; DRIVEN AB We present a technique for measuring the propagation of a supersonic radiation front in low-density foam, where the lack of motion of the objects in its wake makes it difficult to determine its location. We illuminate a thin tracer foil embedded in the foam with a broadband x-ray source, and measure its changing absorption of these x rays as it ionizes. We record both spatial and spectral information of the heated tracer, and thus obtain its ionization state as a function of distance along the front propagation direction. We extrapolate this information to determine the state of the foam and the location of the radiation front. We present the experimental configuration used to test this technique at the Omega laser facility along with experimental results. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3685621] C1 [Taccetti, J. M.; Keiter, P. A.; Lanier, N.; Mussack, K.; Belle, K.; Magelssen, G. R.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Taccetti, JM (reprint author), Los Alamos Natl Lab, POB 1663, Los Alamos, NM 87545 USA. RI Keiter, Paul/J-3037-2013 NR 17 TC 4 Z9 4 U1 1 U2 4 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0034-6748 J9 REV SCI INSTRUM JI Rev. Sci. Instrum. PD FEB PY 2012 VL 83 IS 2 AR 023506 DI 10.1063/1.3685621 PN 1 PG 7 WC Instruments & Instrumentation; Physics, Applied SC Instruments & Instrumentation; Physics GA 909LS UT WOS:000301566600022 PM 22380090 ER PT J AU Qu, J Bansal, DG Yu, B Howe, JY Luo, HM Dai, S Li, HQ Blau, PJ Bunting, BG Mordukhovich, G Smolenski, DJ AF Qu, Jun Bansal, Dinesh G. Yu, Bo Howe, Jane Y. Luo, Huimin Dai, Sheng Li, Huaqing Blau, Peter J. Bunting, Bruce G. Mordukhovich, Gregory Smolenski, Donald J. TI Antiwear Performance and Mechanism of an Oil-Miscible Ionic Liquid as a Lubricant Additive SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE phosphonium-based ionic liquids; lubricants; additives; antiwear; boundary film; oil-solubility ID POLY(ETHYLENE GLYCOL); CONTACTS; SURFACES AB An ionic liquid (IL) trihexyltetradecylphosphonium bis(2-ethylhexyl) phosphate has been investigated as a potential antiwear lubricant additive. Unlike most other ILs that have very low solubility in nonpolar fluids, this IL is fully miscible with various hydrocarbon oils. In addition, it is thermally stable up to 347 degrees C, showed no corrosive attack to cast iron in an ambient environment, and has excellent wettability on solid surface's (e g, contact angle on cast iron <8 degrees). Most importantly, this phosphonium-based IL has demonstrated effective antiscuffing and antiwear characteristics when blended with lubricating oils. For example, a 5 wt % addition into a synthetic base oil eliminated the scuffing failure experienced in neat oil and, as a,result; reduced the friction coefficient by 60% and the wear rate by 3 orders of magnitude. A synergistic effect on wear protection was observed with the current antiwear additive when added into a fully formulated engine oil. Nanostructure examination and composition analysis revealed a tribo-boundary film and subsurface plastic deformation zone for the metallic surface lubricated by the IL-containing lubricants. This protective boundary film is believed to be responsible for the IL's antiscuffing and antiwear functionality. C1 [Qu, Jun; Bansal, Dinesh G.; Howe, Jane Y.; Li, Huaqing; Blau, Peter J.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Yu, Bo; Luo, Huimin; Bunting, Bruce G.] Oak Ridge Natl Lab, Energy & Transportat Sci Div, Oak Ridge, TN USA. [Dai, Sheng] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN USA. [Li, Huaqing] Univ Tennessee, Dept Phys, Knoxville, TN 37996 USA. RP Qu, J (reprint author), Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. EM qujn@ornl.gov RI Li, Huaqing/E-7071-2010; Bansal, Dinesh/F-2255-2010; Howe, Jane/G-2890-2011; Dai, Sheng/K-8411-2015; OI Bansal, Dinesh/0000-0001-8044-6341; Dai, Sheng/0000-0002-8046-3931; Qu, Jun/0000-0001-9466-3179 FU Office of Energy Efficiency and Renewable Energy, U.S. Department of Energy (DOE); DOE Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences; ORNL; DOE Office of Basic Energy Sciences; Oak Ridge Associated Universities FX The authors thank D.W. Coffey, Dr. H. Xu, and Dr. S.R. Hunter for FIB-aided TEM sample preparation, SEM imaging, and help on contact angle measurement, respectively. Research sponsored by the Vehicle Technologies Program, Office of Energy Efficiency and Renewable Energy, U.S. Department of Energy (DOE). Part of the IL synthesis effort was supported by the DOE Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. The characterization work was supported in part by ORNL's SHaRE User Facility, which is sponsored by the DOE Office of Basic Energy Sciences. B.Y. and D.G.B. acknowledge the Oak Ridge Associated Universities for postdoctoral fellowships. NR 21 TC 74 Z9 77 U1 5 U2 81 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD FEB PY 2012 VL 4 IS 2 BP 997 EP 1002 DI 10.1021/am201646k PG 6 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA 897IW UT WOS:000300644500072 PM 22248297 ER PT J AU Valenstein, JS Kandel, K Melcher, F Slowing, II Lin, VSY Trewyn, BG AF Valenstein, Justin S. Kandel, Kapil Melcher, Forrest Slowing, Igor I. Lin, Victor S. -Y. Trewyn, Brian G. TI Functional Mesoporous Silica Nanoparticles for the Selective Sequestration of Free Fatty Acids from Microalgal Oil SO ACS APPLIED MATERIALS & INTERFACES LA English DT Article DE mesoporous silica; free fatty acids; selective sequestration; microalgal oil ID RESPONSIVE CONTROLLED-RELEASE; BIODIESEL PRODUCTION; BOTRYOCOCCUS-BRAUNII; DELIVERY-SYSTEM; ADSORPTION; NANOSPHERE; FERMENTATION; MORPHOLOGY; BIOENERGY; GLUCOSE AB A series of 2d-hexagonally packed mesoporous silica nanoparticle Material with 10 nm pore diameter (MSN-10) covalently :functionalized with organic surface modifiers have been synthesized via a post-synthesis grafting method. The material structure has been characterized by powder X-ray diffraction, electron microscopy, and nitrogen sorption analyses, and the free fatty acid (FFA) sequestration capacity and selectivity was investigated and quantified by thermogravimetric and GC/MS analysis. We discovered that aminopropyl functionalized 10 nm pore mesoporous silica nanoparticle material (AP-MSN-10) sequestered all available FFAs and left nearly all other molecules in solution from a simulated microalgal extract containing FFAs, sterols, terpenes, and triacylglycerides. We also demonstrated selective FFA sequestration from commercially;available microalgal oil. C1 [Trewyn, Brian G.] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. Iowa State Univ, US Dept Energy, Ames Lab, Ames, IA 50011 USA. RP Trewyn, BG (reprint author), Iowa State Univ, Dept Chem, Ames, IA 50011 USA. EM bgtrewyn@iastate.edu OI Slowing, Igor/0000-0002-9319-8639 FU U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy [DE-FG26-0NT08854]; U.S. Department of Energy [DE-EE0003046] FX B.G.T., I.I.S., and J.S.V. thank the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy (Grant DE-FG26-0NT08854), for financial support. B.G.T., K.K., and F.M. also acknowledge funding of this work by the U.S. Department of Energy under Contract DE-EE0003046 awarded to the National Alliance for Advanced Biofuels and Bioproducts. NR 31 TC 18 Z9 18 U1 0 U2 24 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1944-8244 J9 ACS APPL MATER INTER JI ACS Appl. Mater. Interfaces PD FEB PY 2012 VL 4 IS 2 BP 1003 EP 1009 DI 10.1021/am201647t PG 7 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA 897IW UT WOS:000300644500073 PM 22235867 ER PT J AU Malkiewicz, T Simpson, GS Urban, W Genevey, J Pinston, JA Ahmad, I Greene, JP Koster, U Materna, T Ramdhane, M Rzaca-Urban, T Smith, AG Thiamova, G AF Malkiewicz, T. Simpson, G. S. Urban, W. Genevey, J. Pinston, J. A. Ahmad, I. Greene, J. P. Koester, U. Materna, T. Ramdhane, M. Rzaca-Urban, T. Smith, A. G. Thiamova, G. TI RECENT STUDIES OF ODD-A, NEUTRON-RICH Pr ISOTOPES SO ACTA PHYSICA POLONICA B LA English DT Article; Proceedings Paper CT 32nd Mazurian Lakes Conference on Physics CY SEP 11-18, 2011 CL Piaski, POLAND SP Univ Warsaw, Pro Physica Fdn, Natl Centre Nucl Res ID FISSION-PRODUCTS; ISOMERS AB Delayed conversion-electron and gamma-ray spectroscopy of A = 151 nuclei has been performed at the Lohengrin mass spectrometer of the ILL Grenoble. A previously reported 35.1-keV isomer of Pr-151 has been determined to decay by an E1 transition and its half-life of 50(8) mu s measured for the first time. These data has been complemented by high-fold gamma-ray coincidence data collected with the EUROGAM-II and GAMMASPHERE arrays of anti-Compton spectrometers to search for medium-spin excitations in these nuclei. The long half life of this isomer and the lack of intraband E1 transitions show an absence of strong octupole correlations in the observed states of Pr-151. C1 [Malkiewicz, T.; Simpson, G. S.; Genevey, J.; Pinston, J. A.; Ramdhane, M.; Thiamova, G.] Univ Grenoble 1, CNRS, LPSC, Inst Polytech Grenoble,IN2P3, F-38026 Grenoble, France. [Urban, W.; Rzaca-Urban, T.] Univ Warsaw, Fac Phys, PL-00681 Warsaw, Poland. [Urban, W.; Koester, U.; Materna, T.] Inst Max Von Laue Paul Langevin, F-38042 Grenoble 9, France. [Ahmad, I.; Greene, J. P.] Argonne Natl Lab, Argonne, IL 60439 USA. [Smith, A. G.] Univ Manchester, Dept Phys & Astron, Manchester M13 9PL, Lancs, England. RP Malkiewicz, T (reprint author), Univ Grenoble 1, CNRS, LPSC, Inst Polytech Grenoble,IN2P3, F-38026 Grenoble, France. EM malkiewicz@lpsc.in2p3.fr NR 9 TC 1 Z9 1 U1 0 U2 1 PU WYDAWNICTWO UNIWERSYTETU JAGIELLONSKIEGO PI KRAKOW PA UL GRODZKA 26, KRAKOW, 31044, POLAND SN 0587-4254 J9 ACTA PHYS POL B JI Acta Phys. Pol. B PD FEB PY 2012 VL 43 IS 2 BP 247 EP 252 DI 10.5506/APhysPolB.43.247 PG 6 WC Physics, Multidisciplinary SC Physics GA 905JY UT WOS:000301269700013 ER PT J AU Myalski, S Maj, A Podolyak, Z Kmiecik, M Bednarczyk, P Grebosz, J Regan, PH Garnsworthy, AB Pietri, S Rudolph, D Steer, SJ Becker, F Gerl, J Gorska, M Grawe, H Kojouharov, I Schaffner, H Wollersheim, HJ Prokopowicz, W Benzoni, G Blank, B Brandau, C Bruce, AM Caceres, L Camera, F Catford, WN Cullen, IJ Dombradi, Z Doornenbal, P Estevez, E Geissel, H Gelletly, W Heinz, A Hoischen, R Ilie, G Jones, GA Jungclaus, A Kelic, A Kondev, FG Kurtukian-Nieto, T Kurz, N Lalkovski, S Liu, Z Montes, F Pfutzner, M Saito, T Shizuma, T Simons, AJ Schwertel, S Tachenov, S Walker, PM Werner-Malento, E Wieland, O AF Myalski, S. Maj, A. Podolyak, Zs. Kmiecik, M. Bednarczyk, P. Grebosz, J. Regan, P. H. Garnsworthy, A. B. Pietri, S. Rudolph, D. Steer, S. J. Becker, F. Gerl, J. Gorska, M. Grawe, H. Kojouharov, I. Schaffner, H. Wollersheim, H. J. Prokopowicz, W. Benzoni, G. Blank, B. Brandau, C. Bruce, A. M. Caceres, L. Camera, F. Catford, W. N. Cullen, I. J. Dombradi, Zs. Doornenbal, P. Estevez, E. Geissel, H. Gelletly, W. Heinz, A. Hoischen, R. Ilie, G. Jones, G. A. Jungclaus, A. Kelic, A. Kondev, F. G. Kurtukian-Nieto, T. Kurz, N. Lalkovski, S. Liu, Z. Montes, F. Pfuetzner, M. Saito, T. Shizuma, T. Simons, A. J. Schwertel, S. Tachenov, S. Walker, P. M. Werner-Malento, E. Wieland, O. TI STUDY OF ISOMER PRODUCTION RATES FOR A=142-152 AND Z=62-67 IN FRAGMENTATION OF A RELATIVISTIC Pb-208 BEAM SO ACTA PHYSICA POLONICA B LA English DT Article; Proceedings Paper CT 32nd Mazurian Lakes Conference on Physics CY SEP 11-18, 2011 CL Piaski, POLAND SP Univ Warsaw, Pro-Phys Fdn, Natl Centre Nucl Res ID ANGULAR-MOMENTUM AB We have investigated nuclear fragmentation reactions of a relativistic Pb-208 beam. Ten isomeric states for nuclei with A = 142-152 and Z = 62-67 were observed. Measured isomeric ratios were compared, together with values from other experiments, with prediction of theoretical models. The discrepancies between the experimental and theoretical values were discussed in terms of transitions by-passing the isomer that are not included in the models. C1 [Myalski, S.; Maj, A.; Kmiecik, M.; Bednarczyk, P.; Grebosz, J.] Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland. [Podolyak, Zs.; Regan, P. H.; Garnsworthy, A. B.; Pietri, S.; Steer, S. J.; Brandau, C.; Catford, W. N.; Cullen, I. J.; Gelletly, W.; Jones, G. A.; Liu, Z.; Shizuma, T.; Simons, A. J.; Walker, P. M.] Univ Surrey, Dept Phys, Guildford GU2 7XH, Surrey, England. [Grebosz, J.; Becker, F.; Gerl, J.; Gorska, M.; Grawe, H.; Kojouharov, I.; Schaffner, H.; Wollersheim, H. J.; Prokopowicz, W.; Doornenbal, P.; Geissel, H.; Kelic, A.; Kurz, N.; Saito, T.; Tachenov, S.; Werner-Malento, E.] GSI Darmstadt, D-64291 Darmstadt, Germany. [Garnsworthy, A. B.] Yale Univ, WNSL, New Haven, CT 06520 USA. [Rudolph, D.; Caceres, L.; Hoischen, R.; Montes, F.] Lund Univ, Dept Phys, S-22100 Lund, Sweden. [Prokopowicz, W.] Jagiellonian Univ, Inst Phys, PL-30059 Krakow, Poland. [Benzoni, G.; Camera, F.; Wieland, O.] Ist Nazl Fis Nucl, Sez Milano, I-20133 Milan, Italy. [Camera, F.] Univ Milan, I-20133 Milan, Italy. [Blank, B.] CEN Bordeaux Gradignan, F-33175 Gradignan, France. [Bruce, A. M.] Univ Brighton, Sch Engn, Brighton BN2 4GJ, E Sussex, England. [Caceres, L.; Jungclaus, A.] Univ Autonoma Madrid, Dept Fis Teor, E-28049 Madrid, Spain. [Dombradi, Zs.] Inst Nucl Res, H-4001 Debrecen, Hungary. [Estevez, E.; Kurtukian-Nieto, T.] Univ Santiago de Compostela, Santiago De Compostela 15706, Spain. [Heinz, A.; Ilie, G.] Univ Cologne, IKP, D-50937 Cologne, Germany. [Ilie, G.] Natl Inst Phys & Nucl Engn, Bucharest, Romania. [Kondev, F. G.] Argonne Natl Lab, Nucl Engn Div, Argonne, IL 60439 USA. [Lalkovski, S.] Univ Sofia St Kliment Ohridsk, Fac Phys, Sofia, Bulgaria. [Pfuetzner, M.; Werner-Malento, E.] Univ Warsaw, Fac Phys, PL-00681 Warsaw, Poland. [Shizuma, T.] Japan Atom Energy Res Inst, Kyoto 6190215, Japan. [Schwertel, S.] Tech Univ Munich, Phys Dept E12, D-8046 Garching, Germany. RP Myalski, S (reprint author), Polish Acad Sci, Inst Nucl Phys, PL-31342 Krakow, Poland. EM szymon.myalski@ifj.edu.pl; w.catford@surrey.ac.uk; pfutzner@mimuw.edu.pl RI Heinz, Andreas/E-3191-2014; Kurtukian-Nieto, Teresa/J-1707-2014; Bruce, Alison/K-7663-2016; OI Kurtukian-Nieto, Teresa/0000-0002-0028-0220; Bruce, Alison/0000-0003-2871-0517; Camera, Franco/0000-0003-1731-4834; benzoni, giovanna/0000-0002-7938-0338 NR 13 TC 2 Z9 2 U1 0 U2 14 PU JAGIELLONIAN UNIV PRESS PI KRAKOW PA UL MICHALOWSKIEGO 9-2, KRAKOW, 31126, POLAND SN 0587-4254 EI 1509-5770 J9 ACTA PHYS POL B JI Acta Phys. Pol. B PD FEB PY 2012 VL 43 IS 2 BP 253 EP 259 DI 10.5506/APhysPolB.43.253 PG 7 WC Physics, Multidisciplinary SC Physics GA 905JY UT WOS:000301269700014 ER PT J AU Pomorski, M Pfutzner, M Dominik, W Grzywacz, R Baumann, T Berryman, J Czyrkowski, H Dabrowski, R Ginter, T Grigorenko, L Johnson, J Kaminski, G Kuzniak, A Larson, N Liddick, SN Madurga, M Mazzocchi, C Mianowski, S Miernik, K Miller, D Palauskas, S Pereira, J Rykaczewski, KP Stolz, A Suchyta, S AF Pomorski, M. Pfuetzner, M. Dominik, W. Grzywacz, R. Baumann, T. Berryman, J. Czyrkowski, H. Dabrowski, R. Ginter, T. Grigorenko, L. Johnson, J. Kaminski, G. Kuzniak, A. Larson, N. Liddick, S. N. Madurga, M. Mazzocchi, C. Mianowski, S. Miernik, K. Miller, D. Palauskas, S. Pereira, J. Rykaczewski, K. P. Stolz, A. Suchyta, S. TI STUDIES OF Ni-48 USING THE OPTICAL TIME PROJECTION CHAMBER SO ACTA PHYSICA POLONICA B LA English DT Article; Proceedings Paper CT 32nd Mazurian Lakes Conference on Physics CY SEP 11-18, 2011 CL Piaski, POLAND SP Univ Warsaw, Pro Physica Fdn, Natl Centre Nucl Res ID PROTON-RICH NUCLEI; DRIP-LINE; STABILITY; DECAY AB The decay of the extremely neutron deficient Ni-48 was studied by means of an imaging time projection chamber which allowed recording tracks of charged particles. Four decays with two-proton tracks clearly corresponding to two-proton radioactivity were registered, providing the first direct evidence for this decay mode in Ni-48. The half-life of Ni-48 is determined to be T-1/2 = 2.1(-0.4)(+1.4) ms. The measured decay energy is 1.28(6) MeV. C1 [Pomorski, M.; Pfuetzner, M.; Dominik, W.; Czyrkowski, H.; Dabrowski, R.; Kuzniak, A.; Mazzocchi, C.; Mianowski, S.; Miernik, K.] Univ Warsaw, Fac Phys, PL-00681 Warsaw, Poland. [Grzywacz, R.; Kuzniak, A.; Madurga, M.; Miernik, K.; Miller, D.; Palauskas, S.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Grzywacz, R.; Johnson, J.; Rykaczewski, K. P.] Oak Ridge Natl Lab, Div Phys, Oak Ridge, TN 37831 USA. [Baumann, T.; Berryman, J.; Ginter, T.; Larson, N.; Liddick, S. N.; Pereira, J.; Stolz, A.; Suchyta, S.] Michigan State Univ, Natl Superconducting Cyclotron Lab, E Lansing, MI 48824 USA. [Grigorenko, L.; Kaminski, G.] Joint Inst Nucl Res, Dubna 141980, Moscow Region, Russia. [Kaminski, G.] Inst Nucl Phys, PL-31342 Krakow, Poland. [Larson, N.; Liddick, S. N.; Suchyta, S.] Michigan State Univ, Dept Chem, E Lansing, MI 48824 USA. RP Pomorski, M (reprint author), Univ Warsaw, Fac Phys, PL-00681 Warsaw, Poland. EM feld12@wp.pl; pfutzner@mimuw.edu.pl; rgrzywac@utk.edu; mmadurga@utk.edu; chiara.mazzocchi@fuw.edu.pl; rykaczewskik@ornl.gov RI Miller, David/B-5372-2012 OI Miller, David/0000-0002-0426-974X NR 16 TC 6 Z9 6 U1 2 U2 4 PU WYDAWNICTWO UNIWERSYTETU JAGIELLONSKIEGO PI KRAKOW PA UL GRODZKA 26, KRAKOW, 31044, POLAND SN 0587-4254 J9 ACTA PHYS POL B JI Acta Phys. Pol. B PD FEB PY 2012 VL 43 IS 2 BP 267 EP 272 DI 10.5506/APhysPolB.43.267 PG 6 WC Physics, Multidisciplinary SC Physics GA 905JY UT WOS:000301269700016 ER PT J AU Forsberg, U Golubev, P Sarmiento, LG Jeppsson, J Rudolph, D Andersson, LL Ackermann, D Asai, M Block, M Eberhardt, K Even, J Dullmann, CE Dvorak, J Gates, JM Gregorich, KE Herzberg, RD Hessberger, FP Jager, E Khuyagbaatar, J Kojouharov, I Kratz, JV Krier, J Kurz, N Lahiri, S Lommel, B Maiti, M Merchan, E Omtvedt, JP Parr, E Runke, J Schaffner, H Schadel, M Yakushev, A AF Forsberg, U. Golubev, P. Sarmiento, L. G. Jeppsson, J. Rudolph, D. Andersson, L. -L. Ackermann, D. Asai, M. Block, M. Eberhardt, K. Even, J. Duellmann, Ch. E. Dvorak, J. Gates, J. M. Gregorich, K. E. Herzberg, R. -D. Hessberger, F. P. Jaeger, E. Khuyagbaatar, J. Kojouharov, I. Kratz, J. V. Krier, J. Kurz, N. Lahiri, S. Lommel, B. Maiti, M. Merchan, E. Omtvedt, J. P. Parr, E. Runke, J. Schaffner, H. Schaedel, M. Yakushev, A. TI FIRST EXPERIMENT AT TASCA TOWARDS X-RAY FINGERPRINTING OF ELEMENT 115 DECAY CHAINS SO ACTA PHYSICA POLONICA B LA English DT Article; Proceedings Paper CT 32nd Mazurian Lakes Conference on Physics CY SEP 11-18, 2011 CL Piaski, POLAND SP Univ Warsaw, Pro-Phys Fdn, Natl Centre Nucl Res AB To identify the atomic number of superheavy nuclei produced in Ca-48-induced fusion-evaporation reactions, an experiment aiming at measuring characteristic X-rays is being prepared at GSI, Darmstadt, Germany. The gas-filled separator TASCA will be employed, sending the residues towards the multi-coincidence detector setup TASISpec. Two ion-optical modes relying on differing magnetic polarities of the quadrupole magnets can be used at TASCA. New simulations and experimental tests of transmission and background suppression for these two focusing modes into TASISpec are presented. C1 [Forsberg, U.; Golubev, P.; Jeppsson, J.; Rudolph, D.] Lund Univ, S-22100 Lund, Sweden. [Sarmiento, L. G.] Univ Nacl Colombia, Bogota 111321, Colombia. [Andersson, L. -L.; Herzberg, R. -D.; Parr, E.] Univ Liverpool, Liverpool L69 7ZE, Merseyside, England. [Andersson, L. -L.; Even, J.; Dvorak, J.; Hessberger, F. P.; Khuyagbaatar, J.] Helmholtz Inst Mainz, D-55099 Mainz, Germany. [Ackermann, D.; Block, M.; Duellmann, Ch. E.; Hessberger, F. P.; Jaeger, E.; Kojouharov, I.; Krier, J.; Kurz, N.; Lommel, B.; Merchan, E.; Runke, J.; Schaffner, H.; Schaedel, M.; Yakushev, A.] GSI Helmholtzzentrum Schwerionenforsch, D-64291 Darmstadt, Germany. [Asai, M.] Japan Atom Energy Agcy, Adv Sci Res Ctr, Tokai, Ibaraki, Japan. [Eberhardt, K.; Even, J.; Duellmann, Ch. E.; Kratz, J. V.] Johannes Gutenberg Univ Mainz, D-55099 Mainz, Germany. [Gates, J. M.; Gregorich, K. E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Lahiri, S.; Maiti, M.] Saha Inst Nucl Phys, Kolkata 700064, India. [Omtvedt, J. P.] Univ Oslo, N-0315 Oslo, Norway. RP Forsberg, U (reprint author), Lund Univ, S-22100 Lund, Sweden. EM ulrika.forsberg@nuclear.lu.se; m.block@gsi.de RI Omtvedt, Jon Petter/C-8194-2011; Herzberg, Rolf-Dietmar/E-1558-2011; Block, Michael/I-2782-2015; Even, Julia/K-1186-2016; OI Omtvedt, Jon Petter/0000-0002-1822-7348; Block, Michael/0000-0001-9282-8347; Even, Julia/0000-0002-6314-9094; Lahiri, Susanta/0000-0003-0055-1569 NR 11 TC 5 Z9 5 U1 0 U2 12 PU WYDAWNICTWO UNIWERSYTETU JAGIELLONSKIEGO PI KRAKOW PA UL GRODZKA 26, KRAKOW, 31044, POLAND SN 0587-4254 EI 1509-5770 J9 ACTA PHYS POL B JI Acta Phys. Pol. B PD FEB PY 2012 VL 43 IS 2 BP 305 EP 311 DI 10.5506/APhysPolB.43.305 PG 7 WC Physics, Multidisciplinary SC Physics GA 905JY UT WOS:000301269700022 ER PT J AU Benyahia, S AF Benyahia, Sofiane TI Analysis of Model Parameters Affecting the Pressure Profile in a Circulating Fluidized Bed SO AICHE JOURNAL LA English DT Article DE circulation fluidized beds; computational fluid dynamics (CFD); fluidization; multiphase flow; particulate flows ID GAS/PARTICLE FLOW; KINETIC THEORIES; 2-FLUID MODEL; PARTICLE FLOW; SIMULATION; RISER; PREDICT AB This study focuses on continuum model validation of the flow of air and small catalyst particles in a circulating fluidized bed. Comparison with available experimental data of pressure drop and solids circulation rate in the riser clearly demonstrates the need to modify the homogeneous drag model to accurately predict the formation of clusters of particles, which are typically observed in the fluidization of small particles. The need to correct the drag law is also demonstrated in simulations of polydisperse powder flows wherein three solids species are used to represent a typical catalyst size distribution. Finally, particle-wall friction is found to have the most significant effect on the vertical gas pressure gradient while particle-particle friction has only a minor effect. Published 2011 American Institute of Chemical Engineers AIChE J, 58: 427-439, 2012 C1 Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Benyahia, S (reprint author), Natl Energy Technol Lab, Morgantown, WV 26507 USA. EM sofiane.Benyahia@netl.doe.gov NR 36 TC 33 Z9 33 U1 2 U2 34 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 0001-1541 J9 AICHE J JI AICHE J. PD FEB PY 2012 VL 58 IS 2 BP 427 EP 439 DI 10.1002/aic.12603 PG 13 WC Engineering, Chemical SC Engineering GA 904VA UT WOS:000301225000007 ER PT J AU Pekney, N Wells, A Diehl, JR McNeil, M Lesko, N Armstrong, J Ference, R AF Pekney, Natalie Wells, Arthur Diehl, J. Rodney McNeil, Matthew Lesko, Natalie Armstrong, James Ference, Robert TI Atmospheric monitoring of a perfluorocarbon tracer at the 2009 ZERT Center experiment SO ATMOSPHERIC ENVIRONMENT LA English DT Article DE Carbon sequestration; Geosequestration; Perfluorocarbon tracer; AERMOD; Unmanned aerial systems; Bozeman; Montana ID CO2; DISPERSION; SEQUESTRATION; TRANSPORT; LEAKAGE AB Field experiments at Montana State University are conducted for the U.S. Department of Energy as part of the Zero Emissions Research and Technology Center (ZERT) to test and verify monitoring techniques for carbon capture and storage (CCS). A controlled release of CO2 with an added perfluorocarbon tracer was conducted in July 2009 in a multi-laboratory study of atmospheric transport and detection technologies. Tracer plume dispersion was measured with various meteorological conditions using a tethered balloon system with Multi-Tube Remote Samplers (MTRS) at elevations of 10 m, 20 m, and 40 m above ground level (AGL), as well as a ground-based portable tower with monitors containing sorbent material to collect the tracer at 1 m, 2 m, 3 m, and 4 m AGL Researchers designed a horizontal grid of sampling locations centered at the tracer plume source, with the tower positioned at 10 m and 30 m in both upwind and downwind directions, and the MTRS spaced at 50 m and 90 m downwind and 90 m upwind. Tracer was consistently detected at elevated concentrations at downwind sampling locations. With very few exceptions, higher tracer concentrations correlated with lower elevations. Researchers observed no statistical difference between sampling at 50 m and 90 m downwind at the same elevation. The US EPA AERMOD model applied using site-specific information predicted transport and dispersion of the tracer. Model results are compared to experimental data from the 2009 ZERT experiment. Successful characterization of the tracer plume simulated by the ZERT experiment is considered a step toward demonstrating the feasibility of remote sampling with unmanned aerial systems (UAS's) at future sequestration sites. Published by Elsevier Ltd. C1 [Pekney, Natalie; Wells, Arthur; Diehl, J. Rodney] Natl Energy Technol Lab, Div Environm Sci, Pittsburgh, PA 15236 USA. [McNeil, Matthew; Lesko, Natalie; Armstrong, James] Apogee Sci Inc, Englewood, CO 80110 USA. [Ference, Robert] UPS Corp, Pittsburgh, PA 15236 USA. RP Pekney, N (reprint author), Natl Energy Technol Lab, Div Environm Sci, 626 Cochrans Mill Rd, Pittsburgh, PA 15236 USA. EM Natalie.Pekney@netl.doe.gov NR 16 TC 5 Z9 5 U1 1 U2 12 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 FEB PY 2012 VL 47 BP 124 EP 132 DI 10.1016/j.atmosenv.2011.11.024 PG 9 WC Environmental Sciences; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 903XY UT WOS:000301157700015 ER PT J AU Sun, YW Buscheck, TA Hao, Y AF Sun, Yunwei Buscheck, Thomas A. Hao, Yue TI An analytical method for modeling first-order decay networks SO COMPUTERS & GEOSCIENCES LA English DT Article DE Reactive transport; Decay; Ingrowth; First-order reaction; Decomposition ID GROUNDWATER TRANSPORT MODELS; REACTIVE TRANSPORT; MULTISPECIES TRANSPORT; GENERALIZED SOLUTION; DECOMPOSITION METHOD; EQUATIONS AB A wide range of numerical methods are available to integrate coupled differential equations for first-order decay networks. When greatly differing decay rates exist in a reaction network, the stiffness of ordinary differential equations increases and requires additional effort to obtain solutions numerically. Although analytical solutions are preferred, they are limited to relatively simple reaction networks and small numbers of species. In this paper, we propose a methodology for formulating analytical solutions of ODEs for an unlimited number of species and more generalized reaction networks, including multidaughter branching and multiparent converging reactions. The derivation of analytical solutions for user-defined first-order reaction networks is implicitly implemented as a generalized computer code. Then, derived analytical solutions of the first-order reactions are coupled with numerical solutions for transport using an operator-splitting scheme. The solution method is then used to obtain analytical solutions of transport systems coupled by complex decay networks. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Sun, Yunwei; Buscheck, Thomas A.; Hao, Yue] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Sun, YW (reprint author), Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. EM sun4@llnl.gov RI Sun, Yunwei/C-9751-2010 FU U.S. Department of Energy at Lawrence Livermore National Laboratory [DE-AC52-07NA27344] FX The authors thank the anonymous reviewers for their careful review and helpful comments, which led to an improved manuscript. This work was performed under the auspices of the U.S. Department of Energy at Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. NR 31 TC 6 Z9 6 U1 0 U2 5 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0098-3004 EI 1873-7803 J9 COMPUT GEOSCI-UK JI Comput. Geosci. PD FEB PY 2012 VL 39 BP 86 EP 97 DI 10.1016/j.cageo.2011.06.015 PG 12 WC Computer Science, Interdisciplinary Applications; Geosciences, Multidisciplinary SC Computer Science; Geology GA 898OJ UT WOS:000300751400009 ER PT J AU Bergk, B Drechsler, SL Canfield, PC Wosnitza, J AF Bergk, B. Drechsler, S. L. Canfield, P. C. Wosnitza, J. TI Detailed study of the de Haas-van Alphen effect in the Shubnikov state of LuNi2B2C SO EUROPEAN PHYSICAL JOURNAL B LA English DT Article ID FERMI-SURFACE SHEET; T-C SUPERCONDUCTOR; QUANTUM OSCILLATIONS; II SUPERCONDUCTORS; VORTEX STATE; MIXED-STATE; BOROCARBIDE SUPERCONDUCTORS; SINGLE-CRYSTALS; YNI2B2C; GAP AB We present de Haas-van Alphen (dHvA) measurements in the normal and in the superconducting state of LuNi2B2C. Inside the superconducting state, we observe quantum oscillations of a spherical Fermisurface sheet in all crystallographic directions. Apart from the field region close to the phase transition where a strong peak effect hampers the analysis of the dHvA signal, the additional damping of the quantum oscillations inside the superconducting state is much smaller than expected from theory. For the magnetic field aligned along the [100] direction, three different dHvA frequencies are visible in the superconducting state. In particular, the orbit related to a cushion-like Fermi surface does not show any additional damping at and below the upper critical field contrary to theoretical expectations of simple effective one-band theories. Consequently, the superconducting gap on this Fermi-surface sheet can only evolve at lower fields than the observed bulk critical field, B-c2 approximate to 8 T, which clearly points to a Fermi-surface-sheet-dependent gap opening in LuNi2B2C. C1 [Bergk, B.; Wosnitza, J.] Helmholtz Zentrum Dresden Rossendorf, Hochfeld Magnetlabor Dresden HLD, D-01314 Dresden, Germany. [Drechsler, S. L.] Leibniz Inst Solid State & Mat Res IFW Dresden, D-01171 Dresden, Germany. [Canfield, P. C.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Canfield, P. C.] Iowa State Univ, Ames Lab, Ames, IA 50011 USA. RP Bergk, B (reprint author), Tech Univ Dresden, Inst Mat Sci, Helmholtzstr 7, D-01069 Dresden, Germany. EM Beate.Bergk@tu-dresden.de RI Canfield, Paul/H-2698-2014 FU DFG [SFB 463]; EuroMagNET under the EU [228043]; "Pakt fur Forschung" at the IFW-Dresden; U.S. Department of Energy, Office of Basic Energy Science, Division of Materials Sciences and Engineering; U.S. Department of Energy by Iowa State University [DE-AC02-07CH11358] FX The work was supported by the DFG through SFB 463 and by EuroMagNET under the EU contract No. 228043, as well as the "Pakt fur Forschung" at the IFW-Dresden. This work was supported by the U.S. Department of Energy, Office of Basic Energy Science, Division of Materials Sciences and Engineering. Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. NR 62 TC 1 Z9 1 U1 2 U2 15 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1434-6028 J9 EUR PHYS J B JI Eur. Phys. J. B PD FEB PY 2012 VL 85 IS 2 AR 57 DI 10.1140/epjb/e2011-20821-6 PG 8 WC Physics, Condensed Matter SC Physics GA 907PS UT WOS:000301430400018 ER PT J AU Blake, AH Caselli, D Durot, C Mueller, J Parra, E Gilgen, J Boley, A Smith, DJ Tsong, IST Roberts, JC Piner, E Linthicum, K Cook, JW Koleske, DD Crawford, MH Fischer, AJ AF Blake, Adam H. Caselli, Derek Durot, Christopher Mueller, Jason Parra, Eduardo Gilgen, Joseph Boley, Allison Smith, David J. Tsong, Ignatius S. T. Roberts, John C. Piner, Edwin Linthicum, Kevin Cook, James W., Jr. Koleske, Daniel D. Crawford, Mary H. Fischer, Arthur J. TI InGaN/GaN multiple-quantum-well light-emitting diodes grown on Si(111) substrates with ZrB2(0001) buffer layers SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID MOLECULAR-BEAM EPITAXY; CHEMICAL-VAPOR-DEPOSITION; GROUP-III NITRIDES; C-PLANE SAPPHIRE; PHASE EPITAXY; GA-POLAR; SILICON; SI; FACE; BLUE AB Multiple-quantum-well light-emitting diode (LED) structures of InGaN/GaN were grown by metalorganic chemical vapor deposition on Si(111) substrates via ZrB2(0001) buffer layers and a GaN template comprising composite AlxGa1-xN (where x lies in the range from 0 to 1) transition layers to minimize cracking due to thermal expansion mismatch between Si and GaN. Photoluminescence and electroluminescence results from the LED structures compared favorably with similar measurements obtained on identical LED structures grown on sapphire substrates. However, in spite of all the precautions taken, cracking was still present in the LED structures. Scanning electron microscopy and transmission electron microscopy in plan-view and cross-section geometries were conducted on the LED structures to examine the presence and the influence of various defects such as microvoids, micropipes, and threading dislocations on the mechanism of cracking. Our results suggest that the crack network propagates from microvoids on the surface of the LED structure. The formation of microvoids appears to originate from imperfections in the epitaxial ZrB2(0001) buffer layer. (C) 2012 American Institute of Physics. [doi:10.1063/1.3684557] C1 [Blake, Adam H.; Caselli, Derek; Durot, Christopher; Mueller, Jason; Parra, Eduardo; Gilgen, Joseph; Boley, Allison; Smith, David J.; Tsong, Ignatius S. T.] Arizona State Univ, Dept Phys, Tempe, AZ 85287 USA. [Roberts, John C.; Piner, Edwin; Linthicum, Kevin; Cook, James W., Jr.] Nitronex Corp, Durham, NC 27703 USA. [Koleske, Daniel D.; Crawford, Mary H.; Fischer, Arthur J.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Tsong, IST (reprint author), Arizona State Univ, Dept Phys, Tempe, AZ 85287 USA. EM ig.tsong@asu.edu RI Piner, Edwin/B-5359-2016 FU National Science Foundation [0438400]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was supported by the National Science Foundation Partnership for Innovation program grant number 0438400. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. We also acknowledge use of facilities within the John M. Cowley Center for High Resolution Electron Microscopy at Arizona State University. NR 26 TC 18 Z9 19 U1 0 U2 24 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 FEB 1 PY 2012 VL 111 IS 3 AR 033107 DI 10.1063/1.3684557 PG 7 WC Physics, Applied SC Physics GA 902HS UT WOS:000301029800008 ER PT J AU Choi, SG Zhao, HY Persson, C Perkins, CL Donohue, AL To, B Norman, AG Li, J Repins, IL AF Choi, S. G. Zhao, H. Y. Persson, C. Perkins, C. L. Donohue, A. L. To, B. Norman, A. G. Li, J. Repins, I. L. TI Dielectric function spectra and critical-point energies of Cu2ZnSnSe4 from 0.5 to 9.0 eV SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID SOLAR-CELL; EFFICIENCY; FILMS AB We present dielectric function epsilon=epsilon(1) + i epsilon(2) spectra and critical-point energies of Cu2ZnSnSe4 determined by spectroscopic ellipsometry from 0.5 to 9.0 eV. We reduce artifacts from surface overlayers to the maximum extent possible by performing chemical-mechanical polishing and wet-chemical etching of the surface of a Cu2ZnSnSe4 thin film. Ellipsometric data are analyzed by the multilayer model and the epsilon spectra are extracted. The data exhibit numerous spectral features associated with critical points, whose energies are obtained by fitting standard lineshapes to second energy derivatives of the data. The experimental results are in good agreement with the a spectra calculated within the GW quasi-particle approximation, and possible origins of the pronounced critical-point structures are identified. (C) 2012 American Institute of Physics. [doi:10.1063/1.3681814] C1 [Choi, S. G.; Perkins, C. L.; To, B.; Norman, A. G.; Li, J.; Repins, I. L.] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Zhao, H. Y.; Persson, C.] Royal Inst Technol, Dept Mat Sci & Engn, SE-10044 Stockholm, Sweden. [Persson, C.] Univ Oslo, Dept Phys, NO-0316 Oslo, Norway. [Donohue, A. L.] JA Woolam Co Inc, Lincoln, NE 68508 USA. RP Choi, SG (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM sukgeun.choi@nrel.gov RI Norman, Andrew/F-1859-2010; Choi, Sukgeun/J-2345-2014 OI Norman, Andrew/0000-0001-6368-521X; FU U.S. Department of Energy [DE-AC36-08-GO28308]; Swedish Energy Agency; Swedish Research Council; computer center NSC through SNIC/SNAC; computer center HPC2 N through SNIC/SNAC FX This work was supported by the U.S. Department of Energy under Contract No. DE-AC36-08-GO28308. The work done at the Royal Institute of Technology was supported by the Swedish Energy Agency, the Swedish Research Council, and the computer centers NSC and HPC2 N through SNIC/SNAC. NR 27 TC 30 Z9 30 U1 0 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 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD FEB 1 PY 2012 VL 111 IS 3 AR 033506 DI 10.1063/1.3681814 PG 6 WC Physics, Applied SC Physics GA 902HS UT WOS:000301029800022 ER PT J AU Goswami, A Yunus, M Ruden, PP Smith, DL AF Goswami, A. Yunus, M. Ruden, P. P. Smith, D. L. TI Magneto-resistance of organic spin valves due to spin-polarized tunnel injection and extraction of charge carriers SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID SEMICONDUCTORS; SPINTRONICS; INTERFACE AB Spin-polarized tunnel injection and extraction of charge carriers can give rise to magneto-resistance in organic spin valves. To describe this magneto-resistance. the tunneling process is modeled as a transfer of electrons through a thin insulating layer between a ferromagnetic contact and an organic semiconductor. Transition rates between extended states in the metal and model "molecular" orbitals localized at the semiconductor/insulator interface are calculated based on a transfer Hamiltonian. The transition rates are then used in a rate equation model to calculate the injected current for the two spin types and the associated magneto-resistance of organic spin valves. Consistent with experimental data, it is found that the magneto-resistance can be of either sign and its magnitude strongly decreases with the applied bias. (C) 2012 American Institute of Physics. [doi:10.1063/1.3681173] C1 [Goswami, A.; Yunus, M.; Ruden, P. P.] Univ Minnesota, Minneapolis, MN 55455 USA. [Smith, D. L.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Goswami, A (reprint author), Univ Minnesota, Minneapolis, MN 55455 USA. EM gosw0014@umn.edu RI Hong, Jhen-Yong/E-6499-2012 FU DARPA [FA23861114058]; DOE Office of Basic Energy Sciences [08SPCE973]; NSF [ECCS - 0724886] FX The authors thank Alex Morozoff, Divya Venkataraman, and Katie Moenkhaus for their assistance. This work was supported in part by the NSF (ECCS - 0724886) and DARPA (FA23861114058). Access to the facilities of the Minnesota Supercomputing Institute for Digital Simulation and Advanced Computation is gratefully acknowledged. Work at Los Alamos National Laboratory was supported by the DOE Office of Basic Energy Sciences Work Proposal No. 08SPCE973. NR 27 TC 4 Z9 4 U1 2 U2 17 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 FEB 1 PY 2012 VL 111 IS 3 AR 034505 DI 10.1063/1.3681173 PG 4 WC Physics, Applied SC Physics GA 902HS UT WOS:000301029800114 ER PT J AU May, AF McGuire, MA Ma, J Delaire, O Huq, A Custelcean, R AF May, Andrew F. McGuire, Michael A. Ma, Jie Delaire, Olivier Huq, Ashfia Custelcean, Radu TI Properties of single crystalline AZn(2)Sb(2) (A = Ca,Eu,Yb) SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID THERMOELECTRIC-MATERIALS; CACD2SB2; CAAL2SI2 AB Single crystals of CaZn2Sb2, EuZn2Sb2, and YbZn2Sb2 were grown from melts of nominal composition AZn(5)Sb(5) (A =Ca,Eu,Yb) with the excess melt being removed at 1073 K. The electrical transport properties are consistent with those previously reported for polycrystalline samples. This confirms that the p-type carrier concentrations ranging from 2 x 10(19) cm(-3) to similar to 1 x 10(20) cm(-3) are intrinsic to these materials. Also consistent with transport in polycrystalline materials, the carrier mobility is found to be lowest in CaZn2Sb2, suggesting the trends in mobility and thermoelectric efficiency within these compounds are inherent to the material systems and not due to inhomogeneity or impurities in polycrystalline samples. These results suggest CaZn2Sb2 has the strongest coupling between the doping/defects and the electronic framework. Magnetization measurements reveal an antiferromagnetic transition near 13 K in EuZn2Sb2, and the observed magnetic anisotropy indicates the spins align parallel and anti-parallel to c in the trigonal lattice. Powder neutron diffraction on polycrystalline samples of CaZn2Sb2 and YbZn2Sb2 reveals smooth lattice expansion to 1000 K, with c expanding faster than a. The Debye temperatures calculated from specific heat capacity data and the isotropic displacement parameters are found to correlate with the carrier mobility, with the CaZn2Sb2 displaying the largest Debye temperature and smallest mobility. (C) 2012 American Institute of Physics. [doi:10.1063/1.3681817] C1 [May, Andrew F.; McGuire, Michael A.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. [Ma, Jie; Delaire, Olivier; Huq, Ashfia] Oak Ridge Natl Lab, Quantum Condensed Matter Div, Oak Ridge, TN 37831 USA. [Custelcean, Radu] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP May, AF (reprint author), Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. EM mayaf@ornl.gov RI May, Andrew/E-5897-2011; Custelcean, Radu/C-1037-2009; McGuire, Michael/B-5453-2009; Ma, Jie/C-1637-2013; Huq, Ashfia/J-8772-2013 OI May, Andrew/0000-0003-0777-8539; Custelcean, Radu/0000-0002-0727-7972; McGuire, Michael/0000-0003-1762-9406; Huq, Ashfia/0000-0002-8445-9649 FU U. S. Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division; U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences; Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy; U. S. Department of Energy, Office of Basic Energy Sciences, through the S3TEC Energy Frontier Research Center, Department of Energy [DESC0001299] FX This work was supported by the U. S. Department of Energy, Office of Basic Energy Sciences, Materials Sciences and Engineering Division (A.F.M., M.A.M.). R.C. was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. The research at Oak Ridge National Laboratory's Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. O.D. and J.M. were supported by the U. S. Department of Energy, Office of Basic Energy Sciences, through the S3TEC Energy Frontier Research Center, Department of Energy DESC0001299. NR 30 TC 14 Z9 14 U1 1 U2 58 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 FEB 1 PY 2012 VL 111 IS 3 AR 033708 DI 10.1063/1.3681817 PG 7 WC Physics, Applied SC Physics GA 902HS UT WOS:000301029800051 ER PT J AU Yoon, Y Paudyal, B Kim, J Ok, YW Kulshreshtha, P Johnston, S Rozgonyi, G AF Yoon, Yohan Paudyal, Bijaya Kim, Jinwoo Ok, Young-Woo Kulshreshtha, Prashant Johnston, Steve Rozgonyi, George TI Effect of nickel contamination on high carrier lifetime n-type crystalline silicon SO JOURNAL OF APPLIED PHYSICS LA English DT Article ID SURFACE RECOMBINATION VELOCITY; ELECTRICAL-PROPERTIES; P-TYPE; DEFECTS; IMPURITIES; WAFERS AB The injection-dependent lifetimes of different levels of Ni-contaminated n-type Czochralski (CZ) silicon wafers were investigated using resonant-coupled photoconductance decay (RCPCD) and quasi-steady-state photoconductance technique (QSSPC). The lifetime degradation of the most heavily contaminated samples was caused by Ni suicide precipitates at the surface of the wafers. The impact on lifetime was determined by surface recombination velocities (SRV). SRV values from RCPCD were comparable to those extracted by the QSSPC technique. A direct correlation between minority carrier lifetime and the concentration of electrically active substitutional Ni and Ni suicide precipitate traps measured using deep level transient spectroscopy was established. (C) 2012 American Institute of Physics. [doi:10.1063/1.3680880] C1 [Yoon, Yohan; Kim, Jinwoo; Rozgonyi, George] N Carolina State Univ, Dept Mat Sci & Engn, Raleigh, NC 27695 USA. [Paudyal, Bijaya] MKS Instruments Inc, San Jose, CA 95134 USA. [Ok, Young-Woo] Georgia Inst Technol, Sch Elect & Comp Engn, Univ Ctr Excellence Photovolta Res & Educ, Atlanta, GA 30332 USA. [Kulshreshtha, Prashant] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Johnston, Steve] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Yoon, Y (reprint author), N Carolina State Univ, Dept Mat Sci & Engn, Box 7907, Raleigh, NC 27695 USA. EM yyoon3@ncsu.edu NR 21 TC 4 Z9 4 U1 0 U2 9 PU AMER INST PHYSICS PI MELVILLE PA CIRCULATION & FULFILLMENT DIV, 2 HUNTINGTON QUADRANGLE, STE 1 N O 1, MELVILLE, NY 11747-4501 USA SN 0021-8979 J9 J APPL PHYS JI J. Appl. Phys. PD FEB 1 PY 2012 VL 111 IS 3 AR 033702 DI 10.1063/1.3680880 PG 5 WC Physics, Applied SC Physics GA 902HS UT WOS:000301029800045 ER PT J AU Martin, RL Smit, B Haranczyk, M AF Martin, Richard Luis Smit, Berend Haranczyk, Maciej TI Addressing Challenges of Identifying Geometrically Diverse Sets of Crystalline Porous Materials SO JOURNAL OF CHEMICAL INFORMATION AND MODELING LA English DT Article ID METAL-ORGANIC FRAMEWORKS; ZEOLITIC IMIDAZOLATE FRAMEWORKS; CARBON-DIOXIDE; MOLECULAR SIMULATIONS; SHAPE SELECTIVITY; CAPTURE; ADSORPTION; ALGORITHMS; SIMILARITY; TOPOLOGY AB Crystalline porous materials have a variety of uses, such as for catalysis and separations. Identifying suitable materials for a given application can, in principle, be done by screening material databases. Such a screening requires automated high-throughput analysis tools that calculate topological and geometrical parameters describing pores. These descriptors can be used, to compare, select, group, and classify materials. Here, we present a descriptor that captures shape and geometry characteristics of pores. Together with proposed similarity measures, it can be used to perform diversity selection on a set of porous materials. Our representations are histogram encodings of the probe-accessible fragment of the Voronoi network representing the void space of a material. We discuss and demonstrate the application of our approach on the International Zeolite Association (IZA) database of zeolite frameworks and the Deem database of hypothetical zeolites, as well as zeolitic imidazolate frameworks constructed from IZA zeolite structures. The diverse structures retrieved by our method are complementary to those expected by emphasizing diversity in existing one-dimensional descriptors, e.g., surface area, and similar to those obtainable by a (subjective) manual selection based on materials' visual representations. Our technique allows for reduction of large sets of structures and thus enables the material researcher to focus efforts on maximally dissimilar structures. C1 [Martin, Richard Luis; Haranczyk, Maciej] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. [Smit, Berend] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Smit, Berend] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. RP Haranczyk, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, 1 Cyclotron Rd,Mail Stop 50F-1650, Berkeley, CA 94720 USA. EM mharanczyk@lbl.gov RI Smit, Berend/B-7580-2009; Martin, Richard/C-7129-2013; Haranczyk, Maciej/A-6380-2014 OI Smit, Berend/0000-0003-4653-8562; Martin, Richard/0000-0001-9858-2608; Haranczyk, Maciej/0000-0001-7146-9568 NR 42 TC 44 Z9 44 U1 1 U2 22 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9596 EI 1549-960X J9 J CHEM INF MODEL JI J. Chem Inf. Model. PD FEB PY 2012 VL 52 IS 2 BP 308 EP 318 DI 10.1021/ci200386x PG 11 WC Chemistry, Medicinal; Chemistry, Multidisciplinary; Computer Science, Information Systems; Computer Science, Interdisciplinary Applications SC Pharmacology & Pharmacy; Chemistry; Computer Science GA 897KU UT WOS:000300650400006 PM 22098053 ER PT J AU Sharma, H Cheng, XL Buolamwini, JK AF Sharma, Horrick Cheng, Xiaolin Buolamwini, John K. TI Homology Model-Guided 3D-QSAR Studies of HIV-1 Integrase Inhibitors SO JOURNAL OF CHEMICAL INFORMATION AND MODELING LA English DT Article ID IMMUNODEFICIENCY-VIRUS TYPE-1; ACTIVE-SITE; CATALYTIC DOMAIN; CRYSTAL-STRUCTURE; CARBOXYLIC-ACIDS; IN-VITRO; POTENT; INFECTION; DISCOVERY; BINDING AB In the present study, we report the exploration of binding modes of potent HIV-1 integrase (IN) inhibitors MK-0518 (raltegravir) and GS-9137 (elvitegravir) as well as chalcone and related amide IN inhibitors we recently synthesized and the development of 3D-QSAR models for integrase inhibition. Homology models of DNA-bound HIV-1 IN were constructed on the basis of the X-ray crystal structure of the foamy virus IN-DNA complex (PDB ID: 3L2T) and used for docking: The binding modes of raltegravir and elvitegravir in our homology models are in accordance with those in the foamy virus structure revealing interactions important for inhibitor-IN binding. To gain further insights into the structural requirement; for IN inhibition, three-dimensional quantitative structure activity relationship (3D-QSAR) studies were conducted using raltegravir, elvitegravir, and their analogs; our synthesized 3-keto salicylic acid IN inhibitor series; as well as other structurally related HIV-1 IN inhibitors. In the first part of the study with 103 compounds, atom-fit alignments, I and II, and docking-based alignment, III, were used to develop 3D-QSAR models 1, 2, and 3, respectively, each comprising comparative molecular field analysis (CoMFA) and comparative molecular similarity indices analysis (CoMSIA) 3D-QSARs. This initial analysis indicated that the docking-based (structure-based) model 3 performed better than the atom-fit (ligand-based) models 1 and 2, in terms of statistical significance and robustness. Thus, the docking-based alignment was then subsequently used with an expanded data set of 296 compounds for building a more comprehensive 3D-QSAR, model 4. Model 4 afforded good q(2) values of 0.70 and 0.75 for CoMFA and CoMSIA 3D-QSARs, respectively, and showed good predictive performance on an external validation test set of 9 compounds with predictive r(2) values up to 0.71. The HIV IN-DNA homology model of biological relevance and the comprehensive 3D-QSAR models developed in the present study provide insights and new predictive tools for structure-based design, and optimization of IN inhibitors. C1 [Sharma, Horrick; Buolamwini, John K.] Univ Tennessee, Ctr Hlth Sci, Dept Pharmaceut Sci, Coll Pharm, Memphis, TN 38163 USA. [Cheng, Xiaolin] Oak Ridge Natl Lab, UT ORNL Ctr Mol Biophys, Oak Ridge, TN 37831 USA. [Cheng, Xiaolin] Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Knoxville, TN 37996 USA. RP Buolamwini, JK (reprint author), Univ Tennessee, Ctr Hlth Sci, Dept Pharmaceut Sci, Coll Pharm, Memphis, TN 38163 USA. EM jbuolamwini@uthsc.edu FU NIAID NIH HHS [AI084710] NR 64 TC 17 Z9 18 U1 0 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9596 J9 J CHEM INF MODEL JI J. Chem Inf. Model. PD FEB PY 2012 VL 52 IS 2 BP 515 EP 544 DI 10.1021/ci200485a PG 30 WC Chemistry, Medicinal; Chemistry, Multidisciplinary; Computer Science, Information Systems; Computer Science, Interdisciplinary Applications SC Pharmacology & Pharmacy; Chemistry; Computer Science GA 897KU UT WOS:000300650400026 PM 22256860 ER PT J AU Pan, FF King, AW AF Pan, Feifei King, Anthony W. TI Downscaling 1-km Topographic Index Distributions to a Finer Resolution for the TOPMODEL-Based GCM Hydrological Modeling SO JOURNAL OF HYDROLOGIC ENGINEERING LA English DT Article DE TOPMODEL; Topographic index distribution (TID); Digital elevation model (DEM); 3-parameter gamma distribution; Saturation area; Base flow; Surface runoff; Depth to water table ID DIGITAL ELEVATION MODEL; CATCHMENT-BASED APPROACH; LAND-SURFACE PROCESSES; STATISTICAL PROPERTIES; VERSATILE INTEGRATOR; NORTH-AMERICA; SCALE; REPRESENTATION AB TOPMODEL predictions of surface runoff and subsurface flow are fundamentally developed on the basis of the topographic index distribution (TID). The scale dependency of the TID [i.e., dependency on the resolution of the digital elevation model (DEM) data used to compute the topographic indexes] determines that downscaling of the TID computed from a coarser resolution DEM to a finer resolution is needed before the TOPMODEL concepts can be applied to simulate hydrological processes at some larger scales than the scale of hillslopes. It was found that adjusting only the mean values cannot achieve an accurate downscaling of the TID because the difference between 2-m TIDs and the downscaled TIDs from a coarser resolution to 2 m through adjusting only mean values resulted in overestimation of the fraction of the saturation area and surface runoff under wet conditions and underestimation under dry conditions. It was found that downscaling by correcting for scale-dependencies in the first three moments of TIDs produced better predictions. A series of empirical relationships among mean, standard deviation, and coefficient of skewness of TIDs of nine catchments in eastern Tennessee at resolutions of 2, 10, and 100 m and 205 watersheds across the contiguous United States at resolutions of 10 m and 1 km were developed for downscaling TIDs from 1 km to 2 m through approximating TIDs by a 3-parameter gamma distribution function. The errors in the downscaled TIDs from 1 km to 10 m over 205 watersheds across the contiguous United States decreased with increasing watershed size and approached a minimum (approximately 6%) as the watershed drainage area was larger than approximately 500 km(2). With the constructed empirical relationships, topographic indexes computed from 1-km DEM can be scaled down to 2 m for reducing errors and uncertainties in the TOPMODEL-based general circulation model (GCM) hydrological simulations. DOI: 10.1061/(ASCE)HE.1943-5584.0000438. (C) 2012 American Society of Civil Engineers. C1 [Pan, Feifei] Univ N Texas, Dept Geog, Denton, TX 76203 USA. [King, Anthony W.] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP Pan, FF (reprint author), Univ N Texas, Dept Geog, Denton, TX 76203 USA. EM feifei.pan@unt.edu RI Pan, Feifei/D-3370-2015 OI Pan, Feifei/0000-0003-4373-7566 NR 27 TC 4 Z9 4 U1 2 U2 12 PU ASCE-AMER SOC CIVIL ENGINEERS PI RESTON PA 1801 ALEXANDER BELL DR, RESTON, VA 20191-4400 USA SN 1084-0699 J9 J HYDROL ENG JI J. Hydrol. Eng. PD FEB PY 2012 VL 17 IS 2 BP 243 EP 251 DI 10.1061/(ASCE)HE.1943-5584.0000438 PG 9 WC Engineering, Civil; Environmental Sciences; Water Resources SC Engineering; Environmental Sciences & Ecology; Water Resources GA 908UN UT WOS:000301518400003 ER PT J AU Craig, NC Easterday, CC Nemchick, DJ Williamson, DFK Sams, RL AF Craig, Norman C. Easterday, Clay C. Nemchick, Deacon J. Williamson, Drew F. K. Sams, Robert L. TI Rotational analysis of bands in the high-resolution infrared spectra of cis,cis- and trans,trans-1,4-difluorobutadiene-2-d(1) SO JOURNAL OF MOLECULAR SPECTROSCOPY LA English DT Article DE High-resolution infrared spectra; Analysis of rotational structure; Rotational constants; Deuterium isotopologues of 1,4-difluorobutadiene ID VIBRATIONAL SPECTROSCOPY; EQUILIBRIUM STRUCTURES; CIS,TRANS-1,4-DIFLUOROBUTADIENE; 1,4-DIFLUOROBUTADIENE; ISOMERS; CIS AB Pure samples of cis,cis- and trans,trans-1,4-difluorobutadiene-2-d(1) have been synthesized, and high-resolution (0.0015 cm(-1)) infrared spectra have been recorded for these nonpolar molecules in the gas phase. For the cis,cis isomer, the rotational structure in two C-type bands at 775 and 666 cm(-1) and one A-type band at 866 cm(-1) has been analyzed to yield a combined set of 2020 ground state combination differences (GSCDs). Ground state rotational constants fit to these GSCDs are A(0) = 0.4195790(4), B-0 = 0.0536508(8). and C-0 = 0.0475802(9) cm(-1). For the trans,trans isomer, three C-type bands at 856, 839. and 709 cm(-1) have been investigated to give a combined set of 1624 GSCDs. Resulting ground state rotational constants for this isomer are A(0) = 0.9390117(8), B-0 = 0.0389225(4), and C-0 = 0.0373778(3) cm(-1). Small inertial defects confirm the planarity of both isomers in the ground state. Upper state rotational constants have been determined for most of the transitions. The ground state rotational constants for the two isotopologues will contribute to the data set needed for determining semiexperimental equilibrium structures for the nonpolar isomers of 1,4-difluorobutadiene. (C) 2011 Elsevier Inc. All rights reserved. C1 [Craig, Norman C.; Easterday, Clay C.; Nemchick, Deacon J.; Williamson, Drew F. K.] Oberlin Coll, Dept Chem & Biochem, Oberlin, OH 44074 USA. [Sams, Robert L.] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Craig, NC (reprint author), Oberlin Coll, Dept Chem & Biochem, Oberlin, OH 44074 USA. EM norm.craig@oberlin.edu FU Dreyfus Senior Scholar Mentor grants; Oberlin College; National Science Foundation [0420717]; Department of Energy's Office of Biological and Environmental Research located at the Pacific Northwest National Laboratory (PNNL); United States Department of Energy by Battelle [DE-AC05-75RLO-1830] FX We are grateful to Manish Mehta for recording NMR spectra on a 600 MHz spectrometer. The work at Oberlin College was supported by Dreyfus Senior Scholar Mentor grants and by the college. National Science Foundation Grant 0420717 provided for the purchase and technical support of the Beowulf computer cluster at Oberlin College. The high-resolution spectroscopy was performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research located at the Pacific Northwest National Laboratory (PNNL). PNNL is operated for the United States Department of Energy by Battelle under contract DE-AC05-75RLO-1830. NR 20 TC 3 Z9 3 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 0022-2852 J9 J MOL SPECTROSC JI J. Mol. Spectrosc. PD FEB PY 2012 VL 272 IS 1 BP 2 EP 10 DI 10.1016/j.jms.2011.11.007 PG 9 WC Physics, Atomic, Molecular & Chemical; Spectroscopy SC Physics; Spectroscopy GA 910FC UT WOS:000301621600001 ER PT J AU Wegener, SL Marks, TJ Stair, PC AF Wegener, Staci L. Marks, Tobin J. Stair, Peter C. TI Design Strategies for the Molecular Level Synthesis of Supported Catalysts SO ACCOUNTS OF CHEMICAL RESEARCH LA English DT Review ID ATOMIC LAYER DEPOSITION; SURFACE ORGANOMETALLIC CHEMISTRY; SITE HETEROGENEOUS CATALYSTS; METAL-OXIDE CATALYSTS; VISIBLE DIFFUSE-REFLECTANCE; VANADIA-SILICA MATERIALS; ACIDIC SULFATED ALUMINA; OLEFIN POLYMERIZATION; OXIDATIVE DEHYDROGENATION; ACTIVE-SITES AB Supported catalysts, metal or oxide catalytic centers constructed on an underlying solid phase, are making an increasingly important contribution to heterogeneous catalysis. For example, in industry, supported catalysts are employed in selective oxidation, selective reduction, and polymerization reactions. Supported structures increase the thermal stability, dispersion, and surface area of the catalyst relative to the neat catalytic material. However, structural and mechanistic characterization of these catalysts presents a formidable challenge because traditional preparations typically afford complex mixtures of structures whose individual components cannot be Isolated. As a result, the characterization of supported catalysts requires a combination of advanced spectroscopies for their characterization, unlike homogeneous catalysts, which have relatively uniform structures and can often be characterized using standard methods. Moreover, these advanced spectroscopic techniques only provide ensemble averages and therefore do not Isolate the catalytic function of Individual components within the mixture. New synthetic approaches are required to more controllably tailor supported catalyst structures. In this Account, we review advances in supported catalyst synthesis and characterization developed In our laboratories at Northwestern University. We first present an overview of traditional synthetic methods with a focus on supported vanadium oxide catalysts. We next describe approaches for the design and synthesis of supported polymerization and hydrogenation catalysts, using anchoring techniques which provide molecular catalyst structures with exceptional activity and high percentages of catalytically significant sites. We then highlight similar approaches for preparing supported metal oxide catalysts using atomic layer deposition and organometallic grafting. Throughout this Account, we describe the use of incisive spectroscopic techniques, including high-resolution solid state NMR, UV-visible diffuse reflectance (DRS), UV-Raman, and X-ray absorption spectroscopies to characterize supported catalysts. We demonstrate that it is possible to tailor and isolate defined surface species using a molecularly oriented approach. We anticipate that advances in catalyst design and synthesis will lead to a better understanding of catalyst structure and function and, thus, to advances in existing catalytic processes and the development of new technologies. C1 [Wegener, Staci L.; Marks, Tobin J.; Stair, Peter C.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Wegener, Staci L.; Marks, Tobin J.; Stair, Peter C.] Northwestern Univ, Ctr Catalysis & Surface Sci, Evanston, IL 60208 USA. [Stair, Peter C.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Marks, TJ (reprint author), Northwestern Univ, Dept Chem, 2145 Sheridan Rd, Evanston, IL 60208 USA. EM t-marks@northwestern.edu; pstair@northwestern.edu FU U.S. DOE, Office of Basic Energy Sciences under ICEP [DE-AC02-06CH11357, DE-FG02-03-ER15457, DE-FG02-86ER13511, W-31-109-ENG-38] FX The authors are grateful to the U.S. DOE, Office of Basic Energy Sciences, for support of this research under Contracts DE-AC02-06CH11357, DE-FG02-03-ER15457, DE-FG02-86ER13511, and W-31-109-ENG-38 under ICEP. NR 86 TC 84 Z9 84 U1 13 U2 174 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0001-4842 J9 ACCOUNTS CHEM RES JI Accounts Chem. Res. PD FEB PY 2012 VL 45 IS 2 BP 206 EP 214 DI 10.1021/ar2001342 PG 9 WC Chemistry, Multidisciplinary SC Chemistry GA 903AO UT WOS:000301085600007 PM 22004451 ER PT J AU Maheswari, PU Teat, SJ Roubeau, O Reedijk, J AF Maheswari, Palanisami Uma Teat, Simon J. Roubeau, Olivier Reedijk, Jan TI Bis{mu-2-[(4,6-bis{(2-hydroxy-5-methylphenyl)[(pyridin-2-yl)methyl]amino }-1,3,5-triazin-2-yl)[(pyridin-2-yl-kappa N)methyl]amino-kappa N]-4-methylphenolato-1:2 kappa O-2:O}bis[(nitrato-kappa O-2,O ')zinc]-acetonitrile-water (2/4/1) SO ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE LA English DT Article ID DONOR LIGANDS; POLYDENTATE AB The title compound, [Zn-2(C42H38N9O3)(2)(NO3)(2)]center dot 2CH(3)CN center dot 0.5H(2)O, is a bis-phenolate-bridged dinuclear Zn-II complex. The asymmetric unit comprises half the zinc complex (the full complex is completed by the application of a centre of inversion), one acetonitrile solvent molecule and a quarter of a water molecule (located on a twofold axis with half-occupancy; H atoms were not located for this molecule). Each triazine-based multidentate ligand uses a phenolate group to bridge Zn-II ions, generating a Zn2O2 core. The Zn-II ions are five-coordinate, with an additional long Zn-O contact [2.6465 (16) angstrom], and include a semi-bidentate nitrate ion and a N,N ',O-tridentate mode of the ligand in the coordination sphere. Non-coordinating pyridine groups form intramolecular O-H center dot center dot center dot N hydrogen bonds with phenol groups. As suggested by the short O center dot center dot center dot O donor-acceptor distances between the disordered water molecules and phenol O atoms, these groups also participate in hydrogen bonding. C1 [Maheswari, Palanisami Uma; Reedijk, Jan] Leiden Univ, Leiden Inst Chem, NL-2300 RA Leiden, Netherlands. [Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Roubeau, Olivier] CSIC, Inst Ciencia Mat Aragon, Zaragoza 50009, Spain. [Roubeau, Olivier] Univ Zaragoza, Zaragoza 50009, Spain. [Reedijk, Jan] King Saud Univ, Dept Chem, Riyadh 11451, Saudi Arabia. RP Reedijk, J (reprint author), Leiden Univ, Leiden Inst Chem, POB 9502, NL-2300 RA Leiden, Netherlands. EM reedijk@chem.leidenuniv.nl RI Reedijk, Jan/F-1992-2010; Roubeau, Olivier/A-6839-2010 OI Reedijk, Jan/0000-0002-6739-8514; Roubeau, Olivier/0000-0003-2095-5843 FU Leiden University Study group WFMO (Werkgroep Fundamenteel Materialen Onderzoek) FX The authors are indebted to Professor Patrick Gamez (ICREA, Barcelona) for many useful suggestions in the early stages of this research. The work described in this paper was supported by the Leiden University Study group WFMO (Werkgroep Fundamenteel Materialen Onderzoek). NR 8 TC 0 Z9 0 U1 0 U2 8 PU WILEY-BLACKWELL PI MALDEN PA COMMERCE PLACE, 350 MAIN ST, MALDEN 02148, MA USA SN 1600-5368 J9 ACTA CRYSTALLOGR E JI Acta Crystallogr. Sect. E.-Struct Rep. Online PD FEB PY 2012 VL 68 BP M194 EP U1035 DI 10.1107/S1600536811053451 PN 2 PG 15 WC Crystallography SC Crystallography GA 902SD UT WOS:000301059000082 PM 22346863 ER PT J AU Chao, J Fuller, MLS McIntyre, NS Carcea, AG Newman, RC Kunz, M Tamura, N AF Chao, Jing Fuller, Marina L. Suominen McIntyre, N. Stewart Carcea, Anatolie G. Newman, Roger C. Kunz, Martin Tamura, Nobumichi TI The study of stress application and corrosion cracking on Ni-16 Cr-9 Fe (Alloy 600) C-ring samples by polychromatic X-ray microdiffraction SO ACTA MATERIALIA LA English DT Article DE Nickel alloy; Stress corrosion cracking; Polychromatic X-ray microdiffraction; Residual strain; Dislocations ID GRAIN-BOUNDARY-CHARACTER; DIFFRACTION; MICROBEAMS; CRYSTALS AB Microscopic strains associated with stress corrosion cracks have been investigated in stressed C-rings of Ni-16 Cr-9 Fe (Alloy 600) boiler tubing. Polychromatic X-ray microdiffraction was used to measure deviatoric strain tensors and the distribution of dislocations near cracks that had been propagated in electrochemically accelerated corrosion tests. An associated investigation of the C-ring-induced strains prior to corrosion showed significant tensile strain in the stress axis direction by the torsional closure of the alloy tube section in the C-ring test. Significant grain lattice rotation and pronounced plastic strain at some grain boundaries were noted. Stress-corrosion-cracking-generated intergranular cracks were produced in two Alloy 600 specimens after 6 h and 18 h tests. The diffraction patterns and resultant strain tensors were mapped around the cracked area to a 1 mu m spatial resolution. The strain tensor transverse to the crack growth direction showed tensile strain at the intergranular region just ahead of the crack tip for both specimens. Both cracks were found to follow grain boundary pathways that had the lowest angle of misorientation. Dislocation distributions within each grain were qualitatively obtained from the shapes of the diffraction spots and the effect of "hard" and "soft" grains on the crack pathway was explored for both 6 h and 18 h specimens. The Schmid factor of one of the grains adjacent to the crack at the 6 h and 18 h initiation sites was found to be the lowest, compared to Schmid factors calculated for surface grains away from the initiation site, and also along the crack path into the bulk. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Chao, Jing; Fuller, Marina L. Suominen; McIntyre, N. Stewart] Univ Western Ontario, Dept Chem, London, ON N6A 5B7, Canada. [Carcea, Anatolie G.; Newman, Roger C.] Univ Toronto, Dept Chem Engn & Appl Chem, Toronto, ON M5S 3E5, Canada. [Kunz, Martin; Tamura, Nobumichi] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP McIntyre, NS (reprint author), Univ Western Ontario, Dept Chem, London, ON N6A 5B7, Canada. EM smcintyr@uwo.ca FU Office of Science, Office of Basic Energy Sciences, of the US Department of Energy [DE-AC02-05CH11231]; CANDU Owners Group (COG); Ontario Centers of Excellence (OCE); Natural Science and Engineering Research Council of Canada (NSERC) FX The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the US Department of Energy under Contract No. DE-AC02-05CH11231. The authors would like to thank The Western Nanofabrication Facility at The University of Western Ontario and Surface Science Western for their help in sample preparation and imaging. The research at The University of Western Ontario and The University of Toronto was funded by CANDU Owners Group (COG), Ontario Centers of Excellence (OCE) and Natural Science and Engineering Research Council of Canada (NSERC). The authors would also like to thank Dr. Dorota M. Artymowicz at the Department of Chemical Engineering and Applied Chemistry in the University of Toronto for the valuable discussion about Schmid factor. NR 16 TC 5 Z9 5 U1 2 U2 9 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 FEB PY 2012 VL 60 IS 3 BP 781 EP 792 DI 10.1016/j.actamat.2011.10.040 PG 12 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 903YA UT WOS:000301157900001 ER PT J AU Kalay, YE Kalay, I Hwang, J Voyles, PM Kramer, MJ AF Kalay, Y. E. Kalay, I. Hwang, Jinwoo Voyles, P. M. Kramer, M. J. TI Local chemical and topological order in Al-Tb and its role in controlling nanocrystal formation SO ACTA MATERIALIA LA English DT Article DE Nanocrystalline materials; Crystallization; Scanning/transmission electron microscopy (STEM); Three-dimensional atom probe (3DAP); X-ray diffraction (XRD) ID MEDIUM-RANGE ORDER; FLUCTUATION MICROSCOPY; METALLIC GLASSES; PHASE-SEPARATION; ALLOY; CRYSTALLIZATION; DIFFRACTION; REFINEMENT; PROBE AB How the chemical and topological short- to medium-range order develops in Al-Tb glass and its ultimate effect on the control of the high number density of face-centered-cubic-Al (fcc-Al) nuclei during devitrification are described. A combined study using high-energy X-ray diffraction (HEXRD), atom probe tomography (APT), transmission electron microscopy and fluctuation electron microscopy (FEM) was conducted in order to resolve the local structure in amorphous Al90Tb10. Reverse Monte Carlo simulations and Voronoi tessellation analysis based on HEXRD experiments revealed a high coordination of Al around Tb atoms in both liquid and amorphous states. APT results show Al-rich and Al-depleted regions within the as-quenched alloy. A network structure of Tb-rich clusters divides the matrix into nanoscale regions where Al-rich clusters are isolated. It is this finely divided network which allows the amorphous structure to form. Al-rich regions are the locus for fcc-Al crystallization, which occurs before the intermetallic crystallization. FEM reveals medium-range ordered regions similar to 2 nm in diameter, consistent with fcc-Al and trigonal-like Al3Tb crystal structures. We propose that the high coordination of Al around Tb limits diffusion in the intermetallic network, allowing for the isolated Al-rich regions to form at high density. These regions are responsible for the extremely high density of Al nanocrystal nuclei. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Kalay, Y. E.] Middle E Tech Univ, Dept Met & Mat Engn, TR-06800 Ankara, Turkey. [Kalay, I.] Cankaya Univ, Dept Mat Sci & Engn, TR-06530 Ankara, Turkey. [Hwang, Jinwoo] Univ Calif Santa Barbara, Mat Res Lab, Santa Barbara, CA 93106 USA. [Voyles, P. M.] Univ Wisconsin, Dept Mat Sci & Engn, Madison, WI 53706 USA. [Kramer, M. J.] US DOE, Ames Lab, Ames, IA 50011 USA. [Kramer, M. J.] Iowa State Univ, Dept Mat Sci & Engn, Ames, IA 50011 USA. RP Kalay, YE (reprint author), Middle E Tech Univ, Dept Met & Mat Engn, TR-06800 Ankara, Turkey. EM ekalay@metu.edu.tr RI HWANG, JINWOO/D-1760-2013; OI Voyles, Paul/0000-0001-9438-4284 FU US Department of Energy (USDOE), Office of Science (OS), Office of Basic Energy Science (BES), under Ames Laboratory [DE-AC02-07CH11358]; US Department of Energy, Office of Science, and Basic Energy Sciences [DE-AC02-06CH11357]; US National Science Foundation [CMMI-0824719, DMR-0905793] FX The work at Ames Laboratory was supported by the US Department of Energy (USDOE), Office of Science (OS), Office of Basic Energy Science (BES), under Ames Laboratory Contract No. DE-AC02-07CH11358. The high-energy X-ray work at the MUCAT sector of the APS was supported by the US Department of Energy, Office of Science, and Basic Energy Sciences under Contract No. DE-AC02-06CH11357. Work at UW was supported by the US National Science Foundation under contracts CMMI-0824719 and DMR-0905793. The assistance of Materials Preparation Center of the Ames Laboratory is acknowledged for supplying the samples [19]. We thank Jon Hiller and Electron Microscopy Center of Argonne National Laboratory for their valuable help in fabricating APT specimens with FIB. Appreciation is expressed to Xiaowei Fang for his valuable help in ab initio calculations. NR 34 TC 14 Z9 14 U1 1 U2 49 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 FEB PY 2012 VL 60 IS 3 BP 994 EP 1003 DI 10.1016/j.actamat.2011.11.008 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 903YA UT WOS:000301157900022 ER PT J AU Zhang, LZ Rollett, AD Bartel, T Wu, D Lusk, MT AF Zhang, Liangzhe Rollett, Anthony D. Bartel, Timothy Wu, Di Lusk, Mark T. TI A calibrated Monte Carlo approach to quantify the impacts of misorientation and different driving forces on texture development SO ACTA MATERIALIA LA English DT Article DE Calibrated Monte Carlo; Grain boundary anisotropy; Microstructural evolution; Misorientation; Recrystallization ID ANISOTROPIC SURFACE-TENSION; 3-DIMENSIONAL ISING-MODEL; GRAIN-BOUNDARY PROPERTIES; FRONT-TRACKING METHOD; POTTS-MODEL; MICROSTRUCTURE EVOLUTION; COMPUTER-SIMULATION; CELLULAR-AUTOMATON; THIN-FILMS; GROWTH AB A calibrated Monte Carlo (cMC) approach, which quantifies grain boundary kinetics within a generic setting, is presented. The influence of misorientation is captured by adding a scaling coefficient in the spin flipping probability equation, while the contribution of different driving forces is weighted using a partition function. The calibration process relies on the established parametric links between Monte Carlo (MC) and sharp-interface models. The cMC algorithm quantifies microstructural evolution under complex thermomechanical environments and remedies some of the difficulties associated with conventional MC models. After validation, the cMC approach is applied to quantify the texture development of polycrystalline materials with influences of misorientation and inhomogeneous bulk energy across grain boundaries. The results are in good agreement with theory and experiments. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. C1 [Zhang, Liangzhe; Lusk, Mark T.] Colorado Sch Mines, Dept Phys, Golden, CO 80401 USA. [Rollett, Anthony D.] Carnegie Mellon Univ, Mat Sci & Engn Dept, Pittsburgh, PA 15213 USA. [Bartel, Timothy] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Wu, Di] Northeastern Univ, State Key Lab Rolling & Automat, Shenyang 110024, Peoples R China. RP Zhang, LZ (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM liangzhezhang@gmail.com RI Rollett, Anthony/A-4096-2012 OI Rollett, Anthony/0000-0003-4445-2191 FU Sandia National Laboratories under LDRD [09-0298]; National Science Foundation; National Renewable Energy Laboratories; Office of Naval Research [N00014-06-0183] FX The research is supported by Sandia National Laboratories under LDRD Contract 09-0298. Sandia National Laboratories are operated by the Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy. We acknowledge the Golden Energy Computing Organization at the Colorado School of Mines for the use of resources acquired with financial assistance from the National Science Foundation and the National Renewable Energy Laboratories. We also acknowledge support from the Office of Naval Research under Contract N00014-06-0183. NR 54 TC 7 Z9 7 U1 1 U2 7 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 FEB PY 2012 VL 60 IS 3 BP 1201 EP 1210 DI 10.1016/j.actamat.2011.10.057 PG 10 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 903YA UT WOS:000301157900041 ER PT J AU Wei, CT Vitali, E Jiang, F Du, SW Benson, DJ Vecchio, KS Thadhani, NN Meyers, MA AF Wei, C. T. Vitali, E. Jiang, F. Du, S. W. Benson, D. J. Vecchio, K. S. Thadhani, N. N. Meyers, M. A. TI Quasi-static and dynamic response of explosively consolidated metal-aluminum powder mixtures SO ACTA MATERIALIA LA English DT Article DE Powder consolidation; Dynamic mechanical analysis; Finite element analysis; Aluminum; Dynamic compaction ID NI-MO SYSTEM; COMBUSTION SYNTHESIS; SHOCK CONSOLIDATION; STRAIN-RATE; MICROSTRUCTURE; COMPOSITES; FRACTURE AB Nearly fully dense (>96% theoretical maximum density) powder mixture compacts with combinations of Nb, Ni, Mo, W, and Ta, with Al, were produced by explosive consolidation. The quasi-static and dynamic behavior and failure mechanisms were investigated experimentally and computationally. For two mixtures (Ni + Al, W + Al) the Al phase was continuous, while for the other three mixtures (Nb + Al, Ta + Al, Mo + Al), the Al phase was discontinuous. It was found that the continuous phase significantly influenced the mechanical response (in compression) and determined the fracture morphology of the compacts. Accordingly, the mixtures with continuous Al phases had the lowest compressive strength. Two distinct failure mechanisms, axial splitting and shear failure, were observed. Axial splitting occurred when the Al phase was continuous (Ni + Al, W + Al); shear failure was primarily associated with extensive deformation of the Nb, Ta and Mo continuous phases. Finite element simulations provide valuable help in interpreting the experimental results and predicting mechanical strength and failure mechanisms akin to those observed. The interfacial bonding strength is shown to be an important parameter in determining the mechanical response of the compacts. (C) 2011 Published by Elsevier Ltd. on behalf of Acta Materialia Inc. C1 [Wei, C. T.; Jiang, F.; Benson, D. J.; Vecchio, K. S.; Meyers, M. A.] Univ Calif San Diego, La Jolla, CA 92093 USA. [Du, S. W.; Thadhani, N. N.] Georgia Inst Technol, Atlanta, GA 30332 USA. [Vitali, E.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. RP Meyers, MA (reprint author), Univ Calif San Diego, La Jolla, CA 92093 USA. EM mameyers@ucsd.edu RI Meyers, Marc/A-2970-2016 OI Meyers, Marc/0000-0003-1698-5396 FU US Navy under the MURI [ONR MURI N00014-61007-1-0740] FX The authors are thankful to Mr. Daniel Fondse, whose help with preliminary characterization and mechanical testing on the reactive mixtures was essential. They also gratefully acknowledge the assistance from Dr. Eric Herbold with the high-speed camera setup, and Dr. Gustaf Arrhenius with the XRD analysis. This research was supported by the US Navy under the MURI Program (Grant ONR MURI N00014-61007-1-0740). NR 42 TC 14 Z9 14 U1 2 U2 19 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 FEB PY 2012 VL 60 IS 3 BP 1418 EP 1432 DI 10.1016/j.actamat.2011.10.027 PG 15 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering SC Materials Science; Metallurgy & Metallurgical Engineering GA 903YA UT WOS:000301157900063 ER PT J AU Semin, BK Davletshina, LN Ivanov, II Seibert, M Rubin, AB AF Semin, B. K. Davletshina, L. N. Ivanov, I. I. Seibert, M. Rubin, A. B. TI Rapid Degradation of the Tetrameric Mn Cluster in Illuminated, PsbO-Depleted Photosystem II Preparations SO BIOCHEMISTRY-MOSCOW LA English DT Article DE photosystem II; oxygen-evolving complex; manganese; PsbO extrinsic protein ID PHOTOSYNTHETIC OXYGEN-EVOLUTION; COLORIMETRIC DETERMINATION; FLUORESCENCE TRANSIENTS; 16-KDA PROTEINS; POLYPEPTIDE; PARTICLES; MEMBRANES; MANGANESE; COMPLEX; CHLORIDE AB A "decoupling effect" (light-induced electron transport without O-2 evolution) was observed in Ca-depleted photosystem II (PSII(-Ca)) membranes, which lack PsbP and PsbQ (Semin et al. (2008) Photosynth. Res., 98, 235-249). Here PsbO-depleted PSII (PSII(-PsbO)) membranes (which also lack PsbP and PsbQ) were used to examine effects of PsbO on the decoupling. PSII(-PsbO) membranes do not reduce the acceptor 2,6-dichlorophenolindophenol (DCIP), in contrast to PSII(-Ca) membranes. To understand why DCIP reduction is lost, we studied light effects on the Mn content of PSII(-PsbO) samples and found that when they are first illuminated, Mn cations are rapidly released from the Mn cluster. Addition of an electron acceptor to PSII(-PsbO) samples accelerates the process. No effect of light was found on the Mn cluster in PSII(-Ca) membranes. Our results demonstrate that: (a) the oxidant, which directly oxidizes an as yet undefined substrate in PSII(-Ca) membranes, is the Mn cluster (not the Y-Z radical or P680(+)); (b) light causes rapid release of Mn cations from the Mn cluster in PSII(-PsbO) membranes, and the mechanism is discussed; and (c) rapid degradation of the Mn cluster under illumination is significant for understanding the lack of functional activity in some PSII(-PsbO) samples reported by others. C1 [Semin, B. K.; Davletshina, L. N.; Ivanov, I. I.; Rubin, A. B.] Moscow MV Lomonosov State Univ, Fac Biol, Moscow 119991, Russia. [Seibert, M.] Natl Renewable Energy Lab, Golden, CO 80401 USA. RP Semin, BK (reprint author), Moscow MV Lomonosov State Univ, Fac Biol, Moscow 119991, Russia. EM semin@biophys.msu.ru; davlet@biophys.msu.ru; ivanov@biophys.msu.ru; mike.seibert@nrel.gov; rubin@biophys.msu.ru FU Russian Foundation for Basic Research [08-04-00490, 08-04-00354]; Photosynthesis Systems Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy FX This study was supported by the Russian Foundation for Basic Research, project Nos. 08-04-00490 (BS, LD) and 08-04-00354 (AR), and by the Photosynthesis Systems Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy (MS). NR 21 TC 6 Z9 6 U1 0 U2 10 PU MAIK NAUKA/INTERPERIODICA/SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013-1578 USA SN 0006-2979 J9 BIOCHEMISTRY-MOSCOW+ JI Biochem.-Moscow PD FEB PY 2012 VL 77 IS 2 BP 152 EP 156 DI 10.1134/S0006297912020058 PG 5 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 900IE UT WOS:000300879500005 PM 22348474 ER PT J AU Assary, RS Curtiss, LA AF Assary, Rajeev S. Curtiss, Larry A. TI Comparison of Sugar Molecule Decomposition through Glucose and Fructose: A High-Level Quantum Chemical Study SO ENERGY & FUELS LA English DT Article ID CATALYTIC CONVERSION; MODEL COMPOUNDS; BIOMASS; WATER; ACID; ISOMERIZATION; MECHANISM; CONDENSATION; HYDROCARBONS; PREDICTION AB Efficient chemical conversion of biomass is essential to produce sustainable energy and industrial chemicals. Industrial level conversion of glucose to useful chemicals, such as furfural, hydroxymethylfurfural, and levulinic acid, is a Major step in the biomass conversion but is difficult because of the formation of undesired products and side reactions. To understand the molecular level reaction mechanisms involved in the decomposition of glucose and fructose, we have carried out high-level quantum chemical calculations [Gaussian-4 (G4) theory]. Selective 1,2-dehydration, keto-enol tautomerization, isomerization, retro-aldol condensation, and hydride shifts of glucose and fructose molecules were investigated. Detailed kinetic and thermodynamic analyses indicate that, for acyclic glucose and fructose molecules, the dehydration and isomerization require larger activation barriers compared to the retro-aldol reaction at 298 K in neutral medium. The retro-aldol reaction results in the formation of C2 and C4 species from glucose and C3 species from fructose. The formation of the most stable C3 species, dihydroxyacetone from fructose, is thermodynamically downhill. The 1,3-hydride shift leads to the cleavage of the C-C bond in the acyclic species; however, the enthalpy of activation is significantly higher (50-55 kcal/mol) than that of the retro-aldol reaction (38 kcal/mol) mainly because of the sterically hindered distorted four-membered transition state compared to the hexa-membered transition state in the retro-aldol reaction. Both tautomerization and dehydration are catalyzed by a water molecule in aqueous medium; however, water has little effect on the retro-aldol reaction. Isomerization of glucose to fructose and glyceraldehyde to dihydroxyacetone proceeds through hydride shifts that require an activation enthalpy of about 40 kcal/mol at 298 K in water medium. This investigation maps out accurate energetics of the decomposition of glucose and fructose molecules that is needed to help find more efficient catalyts for the conversion of hexose to useful chemicals. C1 [Assary, Rajeev S.; Curtiss, Larry A.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Assary, Rajeev S.] Northwestern Univ, Evanston, IL 60208 USA. [Curtiss, Larry A.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Assary, RS (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM assary@anl.gov; curtiss@anl.gov RI Surendran Assary, Rajeev/E-6833-2012 OI Surendran Assary, Rajeev/0000-0002-9571-3307 FU U.S. Department of Energy [DE-AC0206CH11357]; Institute for Atom-Efficient Chemical Transformations (IACT), an Energy Frontier Research Center; Office of Science and Office of Basic Energy Sciences of the U.S. Department of Energy; Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the U.S. Department of Energy under Contract DE-AC0206CH11357. This material is based on work supported as part of the Institute for Atom-Efficient Chemical Transformations (IACT), an Energy Frontier Research Center funded by the Office of Science and Office of Basic Energy Sciences of the U.S. Department of Energy. We gratefully acknowledge grants of computer time from the Argonne National Laboratory (ANL) Laboratory Computing Resource Center (LCRC) and the ANL Center for Nanoscale Materials. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract DE-AC02-05CH11231 NR 43 TC 35 Z9 36 U1 1 U2 74 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0887-0624 J9 ENERG FUEL JI Energy Fuels PD FEB PY 2012 VL 26 IS 2 BP 1344 EP 1352 DI 10.1021/ef201654s PG 9 WC Energy & Fuels; Engineering, Chemical SC Energy & Fuels; Engineering GA 892GQ UT WOS:000300275100063 ER PT J AU Ben-Naim, E Krapivsky, PL AF Ben-Naim, E. Krapivsky, P. L. TI Popularity-driven networking SO EPL LA English DT Article ID GELATION AB We investigate the growth of connectivity in a network. In our model, starting with a set of disjoint nodes, links are added sequentially. Each link connects two nodes, and the connection rate governing this random process is proportional to the degrees of the two nodes. Interestingly, this network exhibits two abrupt transitions, both occurring at finite times. The first is a percolation transition in which a giant component, containing a finite fraction of all nodes, is born. The second is a condensation transition in which the entire system condenses into a single, fully connected, component. We derive the size distribution of connected components as well as the degree distribution, which is purely exponential throughout the evolution. Furthermore, we present a criterion for the emergence of sudden condensation for general homogeneous connection rates. Copyright (C) EPLA, 2012 C1 [Ben-Naim, E.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Ben-Naim, E.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Krapivsky, P. L.] Boston Univ, Dept Phys, Boston, MA 02215 USA. RP Ben-Naim, E (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. EM ebn@lanl.gov RI Ben-Naim, Eli/C-7542-2009; Krapivsky, Pavel/A-4612-2014 OI Ben-Naim, Eli/0000-0002-2444-7304; FU DOE [DE-AC52-06NA25396]; NSF [CCF-0829541] FX This research was supported by DOE grant DE-AC52-06NA25396 and NSF grant CCF-0829541. NR 29 TC 3 Z9 3 U1 0 U2 4 PU EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY PI MULHOUSE PA 6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE SN 0295-5075 J9 EPL-EUROPHYS LETT JI EPL PD FEB PY 2012 VL 97 IS 4 AR 48003 DI 10.1209/0295-5075/97/48003 PG 6 WC Physics, Multidisciplinary SC Physics GA 899VH UT WOS:000300844100038 ER PT J AU van Vuuren, DP Riahi, K Moss, R Edmonds, J Thomson, A Nakicenovic, N Kram, T Berkhout, F Swart, R Janetos, A Rose, SK Arnell, N AF van Vuuren, Detlef P. Riahi, Keywan Moss, Richard Edmonds, Jae Thomson, Allison Nakicenovic, Nebojsa Kram, Tom Berkhout, Frans Swart, Rob Janetos, Anthony Rose, Steven K. Arnell, Nigel TI A proposal for a new scenario framework to support research and assessment in different climate research communities SO GLOBAL ENVIRONMENTAL CHANGE-HUMAN AND POLICY DIMENSIONS LA English DT Article DE Climate change; Scenario analysis; Integrated assessment; Mitigation; Adaptation; Climate impacts ID EXPERT JUDGMENTS; IMPACT ASSESSMENT; VULNERABILITY; COSTS; STABILIZATION; ADAPTATION; STRATEGIES AB In this paper, we propose a scenario framework that could provide a scenario "thread" through the different climate research communities (climate change - vulnerability, impact, and adaptation - and mitigation) in order to support assessment of mitigation and adaptation strategies and climate impacts. The scenario framework is organized around a matrix with two main axes: radiative forcing levels and socio-economic conditions. The radiative forcing levels (and the associated climate signal) are described by the new Representative Concentration Pathways. The second axis, socio-economic developments comprises elements that affect the capacity for mitigation and adaptation, as well as the exposure to climate impacts. The proposed scenarios derived from this framework are limited in number, allow for comparison across various mitigation and adaptation levels, address a range of vulnerability characteristics, provide information across climate forcing and vulnerability states and span a full century time scale. Assessments based on the proposed scenario framework would strengthen cooperation between integrated-assessment modelers, climate modelers and vulnerability, impact and adaptation researchers, and most importantly, facilitate the development of more consistent and comparable research within and across these research communities. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Riahi, Keywan; Nakicenovic, Nebojsa] IIASA, Laxenbourg, Austria. [Moss, Richard; Edmonds, Jae; Thomson, Allison; Janetos, Anthony] Pacific NW Natl Lab, Joint Global Change Res Inst, Richland, WA 99352 USA. [Moss, Richard; Edmonds, Jae; Thomson, Allison; Janetos, Anthony] Univ Maryland, College Pk, MD 20742 USA. [Berkhout, Frans] Vrije Univ Amsterdam, Inst Environm Studies IVM, Amsterdam, Netherlands. [Berkhout, Frans] Vrije Univ Amsterdam, Amsterdam Global Change Inst, Amsterdam, Netherlands. [Swart, Rob] Univ Wageningen & Res Ctr, Earth Syst Sci & Climate Change Grp, NL-6700 HB Wageningen, Netherlands. [Arnell, Nigel] Univ Reading, Walker Inst, Reading RG6 2AH, Berks, England. [van Vuuren, Detlef P.] Univ Utrecht, Fac Geosci, NL-3508 TC Utrecht, Netherlands. [Nakicenovic, Nebojsa] Vienna Univ Technol, Vienna, Austria. RP van Vuuren, DP (reprint author), Netherlands Environm Assessment Agcy, POB 303, NL-3720 AH Bilthoven, Netherlands. EM detlef.vanvuuren@pbl.nl; riahi@iiasa.ac.at; rhm@pnl.gov; jae@pnl.gov; allison.thomson@pnl.gov; naki@iiasa.ac.at; tom.kram@pbl.nl; frans.berkhout@ivm.vu.nl; rob.swart@wur.nl; Anthony.janetos@pnl.gov; srose@epri.com; n.w.arnell@reading.ac.uk RI Thomson, Allison/B-1254-2010; Berkhout, Frans/N-4196-2013; van Vuuren, Detlef/A-4764-2009; Riahi, Keywan/B-6426-2011; OI Berkhout, Frans/0000-0001-8668-0470; van Vuuren, Detlef/0000-0003-0398-2831; Riahi, Keywan/0000-0001-7193-3498; Swart, Rob/0000-0002-1563-1150 NR 46 TC 79 Z9 79 U1 3 U2 33 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0959-3780 J9 GLOBAL ENVIRON CHANG JI Glob. Environ. Change-Human Policy Dimens. PD FEB PY 2012 VL 22 IS 1 BP 21 EP 35 DI 10.1016/j.gloenvcha.2011.08.002 PG 15 WC Environmental Sciences; Environmental Studies; Geography SC Environmental Sciences & Ecology; Geography GA 899LN UT WOS:000300817500004 ER PT J AU Zheng, P Greve, DW Oppenheim, IJ Chin, TL Malone, V AF Zheng, Peng Greve, David W. Oppenheim, Irving J. Chin, Tao-Lun Malone, Vanessa TI Langasite Surface Acoustic Wave Sensors: Fabrication and Testing SO IEEE TRANSACTIONS ON ULTRASONICS FERROELECTRICS AND FREQUENCY CONTROL LA English DT Article DE Temperature measurement; Surface acoustic wave devices; Temperature sensors; Wireless communication; Wireless sensor networks; Reflection ID HIGH-TEMPERATURE APPLICATIONS; SAW SENSORS AB We report on the development of harsh-environment surface acoustic wave sensors for wired and wireless operation. Surface acoustic wave devices with an interdigitated transducer emitter and multiple reflectors were fabricated on langasite substrates. Both wired and wireless temperature sensing was demonstrated using radar-mode (pulse) detection. Temperature resolution of better than +/- 0.5 degrees C was achieved between 200 degrees C and 600 degrees C. Oxygen sensing was achieved by depositing a layer of ZnO on the propagation path. Although the ZnO layer caused additional attenuation of the surface wave, oxygen sensing was accomplished at temperatures up to 700 degrees C. The results indicate that langasite SAW devices are a potential solution for harsh-environment gas and temperature sensing. C1 [Zheng, Peng; Greve, David W.; Oppenheim, Irving J.; Chin, Tao-Lun] Natl Energy Technol Lab, Pittsburgh, PA USA. [Zheng, Peng] Carnegie Mellon Univ, Dept Phys, Pittsburgh, PA 15213 USA. [Greve, David W.; Chin, Tao-Lun] Carnegie Mellon Univ, Dept Elect & Comp Engn, Pittsburgh, PA 15213 USA. [Oppenheim, Irving J.; Malone, Vanessa] Carnegie Mellon Univ, Dept Civil & Environm Engn, Pittsburgh, PA 15213 USA. [Malone, Vanessa] Carnegie Mellon Univ, Green Roof Project, Pittsburgh, PA 15213 USA. [Malone, Vanessa] Carnegie Mellon Univ, Crystal Sensing Project, Pittsburgh, PA 15213 USA. RP Zheng, P (reprint author), Natl Energy Technol Lab, Pittsburgh, PA USA. EM dg07@andrew.cmu.edu FU National Energy Technology Laboratory under Research and Engineering Services [DE-FE0004000] FX This work was performed in support of research on carbon storage at the National Energy Technology Laboratory under Research and Engineering Services contract DE-FE0004000. NR 31 TC 7 Z9 7 U1 0 U2 23 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0885-3010 J9 IEEE T ULTRASON FERR JI IEEE Trans. Ultrason. Ferroelectr. Freq. Control PD FEB PY 2012 VL 59 IS 2 BP 295 EP 303 DI 10.1109/TUFFC.2012.2190 PG 9 WC Acoustics; Engineering, Electrical & Electronic SC Acoustics; Engineering GA 899WK UT WOS:000300847100014 PM 24626038 ER PT J AU Chiang, JT Haas, JJ Choi, J Hu, YC AF Chiang, Jerry T. Haas, Jason J. Choi, Jihyuk Hu, Yih-Chun TI Secure Location Verification Using Simultaneous Multilateration SO IEEE TRANSACTIONS ON WIRELESS COMMUNICATIONS LA English DT Article DE Location verification; distance bounding; multilateration AB Substantial effort has been invested on secure location verification in hope to enable mobile wireless systems to optimize system performance or securely confer rights based on the participants' locations. However, most previous studies do not address the impact of, and are often susceptible to, collusion attacks in which adversaries share their private keys. In this paper, we propose a secure multilateration scheme. Given the same processing delay, detection threshold, and assuming zero synchronization error between verifiers, our proposed scheme achieves the highest rate of false-location detection by any verification system based solely on time-of-flight measurements. We also show that our scheme is resilient to collusion attacks if the verification system can detect the distance enlargement attack. We propose using other physical measurements to mitigate the distance enlargement, and thus also the collusion, attacks. To the best of our knowledge, this is the first attempt to prevent collusion attacks by mitigating the distance enlargement attack. C1 [Chiang, Jerry T.] Adv Digital Sci Ctr, Singapore, Singapore. [Haas, Jason J.] Sandia Natl Labs, Comp Syst & Technol Business Area, Albuquerque, NM 87185 USA. [Choi, Jihyuk; Hu, Yih-Chun] Univ Illinois, Dept Elect & Comp Engn, Urbana, IL USA. [Chiang, Jerry T.; Haas, Jason J.; Choi, Jihyuk; Hu, Yih-Chun] Univ Illinois, Chicago, IL 60680 USA. RP Chiang, JT (reprint author), Adv Digital Sci Ctr, Singapore, Singapore. EM jerry.chiang@adsc.com.sg; jjhaas@sandia.gov; jchoi43@illinois.edu; yihchun@illinois.edu FU USARO [W-911-NF-0710287]; NSF [NSF CNS-0953600] FX This material is based upon work partially supported by USARO under Contract No. W-911-NF-0710287 and by NSF under Contract No. NSF CNS-0953600. The views and conclusions contained here are those of the authors and should not be interpreted as necessarily representing the official policies or endorsements, either express or implied, of the ARO, NSF, the University of Illinois, the Sandia National Laboratories, the Advanced Digital Sciences Center, or the U.S. Government or any of its agencies. NR 14 TC 14 Z9 14 U1 0 U2 5 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1536-1276 J9 IEEE T WIREL COMMUN JI IEEE Trans. Wirel. Commun. PD FEB PY 2012 VL 11 IS 2 BP 584 EP 591 DI 10.1109/TWC.2011.120911.101147 PG 8 WC Engineering, Electrical & Electronic; Telecommunications SC Engineering; Telecommunications GA 894KQ UT WOS:000300426000016 ER PT J AU Schwendeman, DW Kapila, AK Henshaw, WD AF Schwendeman, Donald W. Kapila, Ashwani K. Henshaw, William D. TI A comparative study of two macro-scale models of condensed-phase explosives SO IMA JOURNAL OF APPLIED MATHEMATICS LA English DT Article DE reactive flow; detonation; Euler equations; Godunov methods; corner turning; diffraction ID TO-DETONATION TRANSITION; RESOLUTION GODUNOV METHOD; OVERLAPPING GRIDS; 2-PHASE DETONATION; GRANULAR-MATERIALS; REACTIVE FLOW; DEFLAGRATION; DIFFRACTION; IGNITION; GROWTH AB Two macro-scale models of high-energy condensed-phase explosives are considered. The first, called ignition and growth, treats the heterogeneous explosive as a homogeneous mixture of reacting and product species. The second model treats the explosive as two distinct, but interacting, phases. Both models are hyperbolic systems of non-linear partial differential equations involving balance laws of mass, momentum and energy and involving assumed constitutive input and reaction kinetics. The two-phase model also involves stiff relaxation terms and nozzling terms that prevent the equations from being cast in conservation form. A high-resolution shock-capturing scheme on overlapping grids, with parallel adaptive mesh refinement, is used to solve the governing equations accurately. The purpose of the paper was to compare solutions of the two models for macro-scale problems involving detonation initiation and diffraction. This is done to illustrate strengths and weaknesses of the models and to suggest modifications and extensions of the models for further study. C1 [Schwendeman, Donald W.; Kapila, Ashwani K.] Rensselaer Polytech Inst, Dept Math Sci, Troy, NY 12180 USA. [Henshaw, William D.] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Livermore, CA 94550 USA. RP Schwendeman, DW (reprint author), Rensselaer Polytech Inst, Dept Math Sci, Troy, NY 12180 USA. EM schwed@rpi.edu FU National Science Foundation [DMS-1016188]; Lawrence Livermore National Laboratory [B574692]; U.S. Department of Energy (DOE) by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; DOE Office of Advanced Scientific Computing Research FX National Science Foundation (DMS-1016188 to D. W. S. and A. K. K.); Lawrence Livermore National Laboratory (subcontract B574692 to D. W. S.). The work of W.D.H. was performed under the auspices of the U.S. Department of Energy (DOE) by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and funded by the Applied Math Program of the DOE Office of Advanced Scientific Computing Research. NR 22 TC 0 Z9 0 U1 1 U2 9 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0272-4960 EI 1464-3634 J9 IMA J APPL MATH JI IMA J. Appl. Math. PD FEB PY 2012 VL 77 IS 1 SI SI BP 2 EP 17 DI 10.1093/imamat/hxr078 PG 16 WC Mathematics, Applied SC Mathematics GA 891UW UT WOS:000300243100002 ER PT J AU Salazar-Villalpando, MD AF Salazar-Villalpando, Maria D. TI Syn-gas generation in the absence of oxygen and isotopic exchange reactions over Rh & Pt/doped-ceria catalysts SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE Syn-gas; Methane decomposition; Oxygen isotopic exchange; Doped ceria; Hydrogen ID SURFACE-AREA CATALYSTS; CEO2-ZRO2 MIXED OXIDES; PARTIAL OXIDATION; STORAGE CAPACITY; REDOX TREATMENTS; 3-WAY CATALYSTS; DOPED CERIA; METHANE; BEHAVIOR; TEMPERATURE AB Syn-gas generation in the absence of oxygen by methane decomposition offers an interesting route to decrease reactor size and cost because methane is the only reactant in the gas phase. In this work, several catalysts were studied, Rh/CeO2, Pt/CeO2, Rh/(Ce0.91Gd0.09) O2-x, Pt/(Ce0.91Gd0.09)O2-x, Rh/gamma-Al2O3 and Pt/gamma-Al2O3 for methane reforming in the absence of gaseous oxygen. Rhodium showed a superior catalytic activity and selectivity with respect to Pt. This catalytic behavior may be due to the strong metal-support interaction, associated with the formation of mixed metal-oxide species at the interface. The addition of Gd3+ to ceria lowered the required temperatures for catalyst activation with respect to the un-doped material. Conversely to oxygen ion conducting materials, which showed a high selectivity for syn-gas generation, the non-oxygen conducting catalysts did not generated carbon monoxide. These results may be correlated to their oxygen storage capacity and ionic conductivity. Since gaseous oxygen was not delivered to the reactor, it is clear that the only source of oxygen was the catalyst. During the isothermal isotopic oxygen exchange experiments over Pt/(Ce0.91Gd0.09))O2-x and Pt/gamma-Al2O3, results illustrated that oxygen in the gas phase was exchanged with the oxygen from the catalyst. Three different molecules were detected O-16-O-18, O-16-O-16 and (OO)-O-18-O-18. A higher amount of oxygen was exchanged over Pt/(Ce0.91Gd0.09)O2-x with respect to Pt/gamma-Al2O3. It is proposed that mainly lattice and surface oxygen were exchanged over Pt/(Ce0.91Gd0.09)O2-x and Pt/gamma-Al2O3, respectively. It is also suggested that two types of reaction mechanisms take place, the simple and multiple hetero-exchange with the participation of one and two catalyst oxygen atoms, respectively. Similarly to methane reforming, lower temperatures were required for the oxygen exchange experiments over Rh than over Pt, as illustrated by results of the temperature-programmed exchange reactions. In summary, the properties of doped ceria may open new catalytic routes for oxidation reactions without gaseous oxygen because post-oxidation can restore its oxygen storage capacity. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved. C1 US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. RP Salazar-Villalpando, MD (reprint author), US DOE, Natl Energy Technol Lab, Morgantown, WV 26507 USA. EM maria.salazar@netl.doe.gov NR 38 TC 2 Z9 2 U1 4 U2 27 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 FEB PY 2012 VL 37 IS 3 BP 2121 EP 2128 DI 10.1016/j.ijhydene.2011.10.103 PG 8 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 903XV UT WOS:000301157300006 ER PT J AU Johnson, TA Kanouff, MP AF Johnson, Terry A. Kanouff, Michael P. TI Development of a hydrogen catalytic heater for heating metal hydride hydrogen storage systems SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE Catalytic heater; Hydrogen storage; Compact heat exchanger; Reactor ID MICRO-COMBUSTORS; FABRICATION; OXIDATION; PALLADIUM AB This paper describes the design, fabrication and performance evaluation of a high efficiency, compact heater that uses the catalytic oxidation of hydrogen to provide heat to a hydrogen storage system. The heater was designed to transfer up to 30 kW of heat from the catalytic reaction to the hydrogen storage system via a recirculating heat transfer fluid. The catalytic heater consists of three main parts: 1) the reactor, 2) the gas heat recuperator, and 3) oil and gas flow distribution manifolds. The reactor and recuperator are integrated, compact, finned-plate heat exchangers to maximize heat transfer efficiency and minimize mass and volume. Detailed, three-dimensional, multi-physics computational models were used to design and optimize the system. At full power the heater was able to catalytically combust a 10% hydrogen/air mixture flowing at over 80 cubic feet per minute and transfer 30 kW of heat to a 30 gallon per minute flow of oil over a temperature range from 100 degrees C to 220 degrees C. The total efficiency of the catalytic heater, defined as the heat transferred to the oil divided by the inlet hydrogen chemical energy, was determined to exceed the design goal of 80% for oil temperatures from 60 degrees C to 165 degrees C. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved. C1 [Johnson, Terry A.; Kanouff, Michael P.] Sandia Natl Labs, Livermore, CA 94551 USA. RP Johnson, TA (reprint author), Sandia Natl Labs, 7011 E Ave, Livermore, CA 94551 USA. EM tajohns@sandia.gov FU Chemical and Environmental Sciences Laboratory at General Motors Research and Development Center; GM; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX This work was funded by the Chemical and Environmental Sciences Laboratory at General Motors Research and Development Center (Jim Spearot, Director (retired)). The authors wish to acknowledge the program support from GM as well as the technical guidance of Scott Jorgensen, Sudarshan Kumar, and Robert Stephens (retired). Additionally, the authors would like to acknowledge the work of a number of individuals that contributed to this project. The catalyst coating was initially suggested by Tim Shepodd and further developed by LeRoy Whinnery and April Nissen who coated the reactor with help from Pat Keifer. The design of the system was performed with the help of Yon Perras and Sal Birtola. Finally, integration with test apparatus, balance of plant, data acquisition and controls was carried out by Yon Perras, Mark Zimmerman and George Sartor. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 24 TC 9 Z9 9 U1 1 U2 8 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 FEB PY 2012 VL 37 IS 3 BP 2304 EP 2319 DI 10.1016/j.ijhydene.2011.09.158 PG 16 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 903XV UT WOS:000301157300028 ER PT J AU Mohtadi, R Sivasubramanian, P Hwang, SJ Stowe, A Gray, J Matsunaga, T Zidan, R AF Mohtadi, Rana Sivasubramanian, PremKumar Hwang, Son-Jong Stowe, Ashley Gray, Joshua Matsunaga, Tomoya Zidan, Ragaiy TI Alanate-borohydride material systems for hydrogen storage applications SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE Onboard hydrogen storage; Alanate; Lithium borohydride; Thermal properties; MAS NMR ID SODIUM ALUMINUM-HYDRIDE; 2 SOLVENT ADDUCTS; THERMAL-DECOMPOSITION; METAL BOROHYDRIDES; CALCIUM ALANATE; NMR; MG(ALH4)(2); SPECTRA; LIALH4; LIBH4 AB Alteration of the thermodynamic stability of selected borohydride/alanate systems, including the combination of LiBH4 with NaAlH4 and LiBH4 with CaCl2 and LiAlH4, was investigated to determine the possibility of forming intermediate stability mixed AlH4--BH4- phase. Facile metathesis exchange reactions were observed when NaAlH4 was combined with LiBH4 resulting in the formation of LiAlH4 and NaBH4. Thermal analysis of this system showed that the 1st and 2nd decomposition of LiAlH4 occurred irrespective of NaBH4 illustrating the absence molecular level interaction between the AlH4- and the BH4- anions. On the other hand, in the case of CaCl2, LiAlH4, LiBH4 combination, the results showed the formation of a calcium alanate type phase. Evaluation of the thermal property of this system showed an endothermic one step decomposition between 130 degrees C and 200 degrees C (2.3 wt % loss). Structural examination of this calcium alanate type phase revealed a different local coordination geometry of AlH4- from that observed in calcium alanate. The formation and properties of this phase are being attributed to molecular level AlH4--BH4- interactions. These findings provide a pathway toward designing novel alanates-borohydrides systems for hydrogen storage applications. This article will show the methodologies followed and explain the results obtained. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved. C1 [Mohtadi, Rana; Sivasubramanian, PremKumar] Toyota Res Inst N Amer, Ann Arbor, MI 48105 USA. [Hwang, Son-Jong] CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA. [Gray, Joshua; Zidan, Ragaiy] Savannah River Natl Lab, Aiken, SC 29808 USA. [Matsunaga, Tomoya] Toyota Motor Co Ltd, Shizuoka 4101193, Japan. RP Mohtadi, R (reprint author), Toyota Res Inst N Amer, Ann Arbor, MI 48105 USA. EM rana.mohtadi@tema.toyota.com; ragaiy.zidan@srnl.doe.gov FU Toyota Motor Engineering and Manufacturing North America; National Science Foundation (NSF) [9724240]; MRSEC of the NSF [DMR-520565] FX The authors would like to thank Dr. Hanno Zur Loye at the Department of Chemistry and Biochemistry, University of South Carolina, for conducting the X-ray diffraction experiments and for the helpful discussions. Also, the authors would like to thank Dr. Ted Motyka at Savannah River National Laboratory for managing the research project and for his helpful insight. Finally, many thanks for Dr. Jason Graetz at Brookhaven National Laboratory for providing the Dow alane sample. Funding for the work was provided by Toyota Motor Engineering and Manufacturing North America. The NMR facility at Caltech was supported by the National Science Foundation (NSF) under Grant Number 9724240 and partially supported by the MRSEC Program of the NSF under Award Number DMR-520565. NR 45 TC 9 Z9 9 U1 2 U2 41 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 FEB PY 2012 VL 37 IS 3 BP 2388 EP 2396 DI 10.1016/j.ijhydene.2011.10.076 PG 9 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 903XV UT WOS:000301157300036 ER PT J AU Anton, DL Garrison, SL Gorensek, MB Sherman, SR AF Anton, Donald L. Garrison, Stephen L. Gorensek, Maximilian B. Sherman, Steven R. TI Preface SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Editorial Material C1 [Anton, Donald L.; Garrison, Stephen L.; Gorensek, Maximilian B.; Sherman, Steven R.] Savannah River Natl Lab, Aiken, SC 29808 USA. RP Garrison, SL (reprint author), Savannah River Natl Lab, Aiken, SC 29808 USA. EM stephen.garrison@srnl.doe.gov OI Gorensek, Maximilian/0000-0002-4322-9062 NR 0 TC 0 Z9 0 U1 0 U2 0 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 FEB PY 2012 VL 37 IS 3 BP 2713 EP 2714 DI 10.1016/j.ijhydene.2012.01.013 PG 2 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 903XV UT WOS:000301157300073 ER PT J AU Price, C Gray, J Lascola, R Anton, DL AF Price, Christine Gray, Joshua Lascola, Robert, Jr. Anton, Donald L. TI The effects of halide modifiers on the sorption kinetics of the Li-Mg-N-H System SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE Hydrogen storage; Amides; Metal hydrides; Kinetics; Raman; XRD ID HYDROGEN STORAGE APPLICATIONS; SODIUM ALUMINUM HYDRIDES; MAGNESIUM HYDRIDE; TRANSITION-METALS; DEHYDROGENATION; NITRIDES; TITANIUM AB The effects of different transition metal halides (TiCl3, VCl3, ScCl3 and NiCl2) on the sorption properties of the 1:1 molar ratio of LiNH2 to MgH2 are investigated. The modified mixtures were found to contain LiNH2, MgH2 and LiCl. TGA results showed that the hydrogen desorption temperature was reduced with the modifier addition in this order: TiCl3 > ScCl3 > VCl3 > NiCl2. Ammonia release was not significantly reduced resulting in a weight loss greater than the theoretical hydrogen storage capacity of the material. The isothermal sorption kinetics of the modified systems showed little improvement after the first dehydrogenation cycle over the unmodified system but showed drastic improvement in rehydrogenation cycles. X-ray diffraction and Raman spectroscopy identified the cycled material to be composed of LiH, MgH2, Mg(NH2)(2) and Mg3N2. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved. C1 [Price, Christine; Gray, Joshua; Lascola, Robert, Jr.; Anton, Donald L.] Savannah River Natl Lab, Aiken, SC 29803 USA. RP Anton, DL (reprint author), Savannah River Natl Lab, Aiken, SC 29803 USA. EM Donald.Anton@srnl.doe.gov OI Lascola, Robert/0000-0002-6784-5644 NR 31 TC 18 Z9 19 U1 0 U2 39 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 FEB PY 2012 VL 37 IS 3 BP 2742 EP 2749 DI 10.1016/j.ijhydene.2011.07.046 PG 8 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 903XV UT WOS:000301157300078 ER PT J AU Devarakonda, M Brooks, K Ronnebro, E Rassat, S AF Devarakonda, Maruthi Brooks, Kriston Roennebro, Ewa Rassat, Scot TI Systems modeling, simulation and material operating requirements for chemical hydride based hydrogen storage SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE Hydrogen storage; Chemical hydride; Ammonia borane; Systems modeling and simulation; Material operating requirements; On-board efficiency ID HIERARCHICAL METHODOLOGY; AMMONIA BORANE; DECOMPOSITION; KINETICS; RELEASE AB Research on ammonia borane (AB, NH3BH3) has shown it to be a promising material for chemical hydride based hydrogen storage. AB was selected by DOE's Hydrogen Storage Engineering Center of Excellence (HSECoE) as the initial chemical hydride of study because of its high hydrogen storage capacity (up to similar to 16% by weight for the release of similar to 2.5 M equivalents of hydrogen gas) and its stability under typical ambient conditions. Another promising candidate is alane, AlH3 (10.1% by weight). Materials operating requirements to use chemical hydrides for vehicle onboard storage are discussed. A flow-through system concept based on augers, ballast tank, hydrogen heat exchanger and H-2 burner was designed and implemented in simulation. In this design, the chemical hydride material was assumed to produce H-2 in the auger itself, thus minimizing the size of ballast tank and reactor. One dimensional models based on conservation of mass, species and energy were used to predict important state variables such as reactant and product concentrations, temperatures of various components, flow rates, along with pressure, in various components of the storage system. Various subsystem components in the models were coded as 'C' language S-functions and implemented in Matlab/Simulink. Steady state simulation results for all the three candidate materials (solid AB, liquid AB and alane) were presented to show the proof of concept, whereas the drive cycle simulations were discussed only for solid AB using the fuel cell H-2 demand for four different US drive cycles. Conditional logic based controllers that control the material flow rate into the reactor and to control the H-2 fed to the burner were developed and implemented in drive cycle simulations. Simulation results show that the proposed system meets most of the 2010 DOE targets, and is well above the required > 40% of the DOE targets for fill time, well-to-powerplant efficiency, and volumetric and gravimetric density. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved. C1 [Devarakonda, Maruthi; Brooks, Kriston; Roennebro, Ewa; Rassat, Scot] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Devarakonda, M (reprint author), Pacific NW Natl Lab, 902 Battelle Blvd,POB 999, Richland, WA 99352 USA. EM maruthi.devarakonda@pnl.gov FU US Department of Energy; US DOE [DE-AC05-76RLO1830] FX This work was done at PNNL, as a part of the Hydrogen Storage Engineering Center of Excellence (HSECoE) project, sponsored by the US Department of Energy. Special thanks to Darrell Herling, Jamie Holladay and Kevin Simmons at PNNL for valuable suggestions and discussions, to Troy Semelsberger (Los Alamos National Laboratory) for providing kinetics data on liquid AB and to Rajesh Ahluwalia (Argonne National Laboratory) for providing the kinetic parameters for liquid AB. PNNL is operated by Battelle for the US DOE under contract DE-AC05-76RLO1830. NR 25 TC 12 Z9 12 U1 0 U2 9 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 FEB PY 2012 VL 37 IS 3 BP 2779 EP 2793 DI 10.1016/j.ijhydene.2011.06.121 PG 15 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 903XV UT WOS:000301157300082 ER PT J AU Corgnale, C Hardy, BJ Tamburello, DA Garrison, SL Anton, DL AF Corgnale, Claudio Hardy, Bruce J. Tamburello, David A. Garrison, Stephen L. Anton, Donald L. TI Acceptability envelope for metal hydride-based hydrogen storage systems SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE Hydrogen; Storage; Acceptability envelope; Metal hydrides; Heat transfer; Modeling ID HIERARCHICAL METHODOLOGY; MAGNESIUM HYDRIDE; MASS-TRANSFER; OPTIMIZATION; SORPTION; BEDS; LINH2-MGH2; KINETICS; REACTOR; MODELS AB The design and evaluation of media-based hydrogen storage systems requires the use of detailed numerical models and experimental studies, with significant amount of time and monetary investment. Thus a scoping tool, referred to as the Acceptability Envelope, was developed to screen preliminary candidate media and storage vessel designs, identifying the range of chemical, physical and geometrical parameters for the coupled media and storage vessel system that allow it to meet performance targets. The model which underpins the analysis allows simplifying the storage system, thus resulting in one input-one output scheme, by grouping of selected quantities. Two cases have been analyzed and results are presented here. In the first application the DOE technical targets (Year 2010, Year 2015 and Ultimate) are used to determine the range of parameters required for the metal hydride media and storage vessel. In the second case the most promising metal hydrides available are compared, highlighting the potential of storage systems, utilizing them, to achieve 40% of the 2010 DOE technical target. Results show that systems based on Li-Mg media have the best potential to attain these performance targets. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved. C1 [Corgnale, Claudio; Hardy, Bruce J.; Tamburello, David A.; Garrison, Stephen L.; Anton, Donald L.] Savannah River Natl Lab, Aiken, SC 29808 USA. RP Hardy, BJ (reprint author), Savannah River Natl Lab, Aiken, SC 29808 USA. EM bruce.hardy@srnl.doe.gov FU U.S. Department of Energy FX This work was performed as part of the DOE Hydrogen Storage Engineering Center of Excellence (HSECoE); with the support of the U.S. Department of Energy gratefully acknowledged. The authors also wish to thank Drs. T. Motyka (Savannah River National Laboratory) and N. Stetson (U.S. Department of Energy) specifically for their useful suggestions. NR 33 TC 20 Z9 20 U1 0 U2 16 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 FEB PY 2012 VL 37 IS 3 BP 2812 EP 2824 DI 10.1016/j.ijhydene.2011.07.037 PG 13 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 903XV UT WOS:000301157300086 ER PT J AU Johnson, TA Kanouff, MP Dedrick, DE Evans, GH Jorgensen, SW AF Johnson, Terry A. Kanouff, Michael P. Dedrick, Daniel E. Evans, Gregory H. Jorgensen, Scott W. TI Model-based design of an automotive-scale, metal hydride hydrogen storage system SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE Hydrogen storage; Sodium alanates; Metal hydride; Fuel cell ID HIERARCHICAL METHODOLOGY; SODIUM ALANATE; ABSORPTION; NAALH4; FLOWS AB Sandia and General Motors have successfully designed, fabricated, and experimentally operated a vehicle-scale hydrogen storage demonstration system using sodium alanates. The demonstration system module design and the system control strategies were enabled by experiment-based, computational simulations that included heat and mass transfer coupled with chemical kinetics. Module heat exchange systems were optimized using multi-dimensional models of coupled fluid dynamics and heat transfer. Chemical kinetics models were coupled with both heat and mass transfer calculations to design the sodium alanate vessels. Fluid flow distribution was a key aspect of the design for the hydrogen storage modules and computational simulations were used to balance heat transfer with fluid pressure requirements. An overview of the hydrogen storage system will be given, and examples of these models and simulation results will be described and related to component design. In addition, comparisons of demonstration system experimental results to model predictions will be reported. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved. C1 [Johnson, Terry A.; Kanouff, Michael P.; Dedrick, Daniel E.; Evans, Gregory H.] Sandia Natl Labs, Livermore, CA 94551 USA. [Jorgensen, Scott W.] Gen Motors R&D, Warren, MI 48090 USA. RP Johnson, TA (reprint author), Sandia Natl Labs, MS9409,7011 East Ave, Livermore, CA 94551 USA. EM tajohns@sandia.gov FU General Motors Research and Development; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors wish to acknowledge the program support from General Motors Research and Development, specifically the support and contribution of Jim Spearot, Director of Chemical and Environmental Sciences Laboratory at the General Motors Research and Development Center. Additionally, the authors are indebted to the mechanical design, electrical design and experimental expertise of George Sartor, Yon Perras, Mark Zimmerman, and Steve Karim that enabled the parameter characterization and validation of our transport models. We would also like to acknowledge the computational work of Tyler Voskuilen, Greg Laskowski, Brian Rush, and Aili Ting that supported our analysis. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 26 TC 14 Z9 14 U1 1 U2 16 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 FEB PY 2012 VL 37 IS 3 BP 2835 EP 2849 DI 10.1016/j.ijhydene.2011.05.030 PG 15 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 903XV UT WOS:000301157300088 ER PT J AU Garrison, SL Hardy, BJ Gorbounov, MB Tamburello, DA Corgnale, C vanHassel, BA Mosher, DA Anton, DL AF Garrison, Stephen L. Hardy, Bruce J. Gorbounov, Mikhail B. Tamburello, David A. Corgnale, Claudio vanHassel, Bart A. Mosher, Daniel A. Anton, Donald L. TI Optimization of internal heat exchangers for hydrogen storage tanks utilizing metal hydrides SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE Metal hydride; Sodium alanate; Optimization; Heat exchanger; Longitudinal fin; Transverse fin ID HIERARCHICAL METHODOLOGY; SIMPLEX-METHOD; SIMULATION; MODELS; BEDS AB Two detailed, unit cell models, a transverse fin design and a longitudinal fin design, of a combined hydride bed and heat exchanger are developed in COMSOL (R) Multiphysics incorporating and accounting for heat transfer and reaction kinetic limitations. MatLab (R) scripts for autonomous model generation are developed and incorporated into (1) a grid-based and (2) a systematic optimization routine based on the Nelder-Mead downhill simplex method to determine the geometrical parameters that lead to the optimal structure for each fin design that maximizes the hydrogen stored within the hydride. The optimal designs for both the transverse and longitudinal fin designs point toward closely-spaced, small cooling fluid tubes. Under the hydrogen feed conditions studied (50 bar), a 25 times improvement or better in the hydrogen storage kinetics will be required to simultaneously meet the Department of Energy technical targets for gravimetric capacity and fill time. These models and methodology can be rapidly applied to other hydrogen storage materials, such as other metal hydrides or to cryoadsorbents, in future work. Copyright (C) 2011, United Technologies Corporation. Published by Elsevier Ltd on behalf of Hydrogen Energy Publications, LLC. All rights reserved. C1 [Garrison, Stephen L.; Hardy, Bruce J.; Tamburello, David A.; Corgnale, Claudio; Anton, Donald L.] Savannah River Natl Lab, Aiken, SC 29808 USA. [Gorbounov, Mikhail B.; vanHassel, Bart A.; Mosher, Daniel A.] United Technol Res Ctr, E Hartford, CT 06108 USA. RP Garrison, SL (reprint author), Savannah River Natl Lab, Savannah River Site, Aiken, SC 29808 USA. EM Stephen.Garrison@SRNL.doe.gov FU U.S. Department of Energy [DE-AC09-08SR22470]; U.S. Government FX The information contained in this article was developed during the course of work under Contract DE-AC09-08SR22470 with the U.S. Department of Energy. This work was prepared under an agreement with and funded by the U.S. Government. Neither the U.S. Government or its employees, nor any of its contractors, subcontractors or their employees, makes any express or implied: 1. warranty or assumes any legal liability for the accuracy, completeness, or for the use or results of such use of any information, product, or process disclosed; or 2. representation that such use or results of such use would not infringe privately owned rights; or 3. endorsement or recommendation of any specifically identified commercial product, process, or service. Any views and opinions of authors expressed in this work do not necessarily state or reflect those of the United States Government, or its contractors, or subcontractors. NR 18 TC 28 Z9 29 U1 2 U2 18 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 FEB PY 2012 VL 37 IS 3 BP 2850 EP 2861 DI 10.1016/j.ijhydene.2011.07.044 PG 12 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 903XV UT WOS:000301157300089 ER PT J AU James, CW Cortes-Concepcion, JA Tamburello, DA Anton, DL AF James, Charles W. Cortes-Concepcion, Jose A. Tamburello, David A. Anton, Donald L. TI Environmental reactivity of solid-state hydrogen storage systems: Fundamental testing and evaluation SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE Environmental reactivity; Metal hydride; Chemical hydride; Hydrogen storage; Calorimetry AB In order to enable the commercial acceptance of solid-state hydrogen storage materials and systems it is important to understand the risks associated with the environmental exposure of various materials. In some instances, these materials are sensitive to the environment surrounding the material and the behavior is unique and independent to each material. The development of testing procedures to evaluate a material's behavior with different environmental exposures is a critical need. In some cases material modifications may be needed in order to reduce the risk of environmental exposure. We have redesigned two standardized UN tests for clarity and exactness; the burn rate and self-heating tests. The results of these and other UN tests are shown for ammonia borane, NH3BH3, and alane, AlH3. The burn rate test showed a strong dependence on the preparation method of aluminum hydride as the particle size and trace amounts of solvent greatly influence the test results. The self-heating test for ammonia borane showed a failed test as low as 70 degrees C in a modified cylindrical form. Finally, gas phase calorimetry was performed and resulted in an exothermic behavior within an air and 30%RH environment. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved. C1 [James, Charles W.; Cortes-Concepcion, Jose A.; Tamburello, David A.; Anton, Donald L.] Savannah River Natl Lab, Aiken, SC 29808 USA. RP Anton, DL (reprint author), Savannah River Natl Lab, Aiken, SC 29808 USA. EM donald.anton@srnl.doe.gov FU U.S. Department of Energy (DOE) FX The authors would like to thank Drs. R Zidan, J. Teprovich, and Mr. J. Wheeler for their alane expertise and laboratory support. This work was funded under the U.S. Department of Energy (DOE) hydrogen storage testing, safety, and analysis program managed by Dr. Ned Stetson. NR 13 TC 5 Z9 5 U1 0 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 FEB PY 2012 VL 37 IS 3 BP 2885 EP 2890 DI 10.1016/j.ijhydene.2011.05.170 PG 6 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 903XV UT WOS:000301157300092 ER PT J AU Ahluwalia, RK Hua, TQ Peng, JK AF Ahluwalia, R. K. Hua, T. Q. Peng, J. K. TI On-board and Off-board performance of hydrogen storage options for light-duty vehicles SO INTERNATIONAL JOURNAL OF HYDROGEN ENERGY LA English DT Article DE Hydrogen storage; Compressed hydrogen; Liquid hydrogen; Metal hydride storage; Sorption; Hydrogen carriers ID FUEL-CELL VEHICLES; AUTOMOTIVE APPLICATIONS; PRESSURE-VESSELS; ECONOMY; SYSTEMS AB Leading physical and materials-based hydrogen storage options are evaluated for their potential to meet the vehicular targets for gravimetric and volumetric capacity, cost, efficiency, durability and operability, fuel purity, and environmental health and safety. Our analyses show that hydrogen stored as a compressed gas at 350-700 bar in Type III or Type IV tanks cannot meet the near-term volumetric target of 28 g/L. The problems of dormancy and hydrogen loss with conventional liquid H-2 storage can be mitigated by deploying pressure-bearing insulated tanks. Alane (AlH3) is an attractive hydrogen carrier if it can be prepared and used as a slurry with >50% solids loading and an appropriate volume-exchange tank is developed. Regenerating AlH3 is a major problem, however, since it is metastable and it cannot be directly formed by reacting the spent Al with H-2. We have evaluated two sorption-based hydrogen storage systems, one using AX-21, a high surface-area superactivated carbon, and the other using MOF-177, a metal-organic framework material. Releasing hydrogen by hydrolysis of sodium borohydride presents difficult chemical, thermal and water management issues, and regenerating NaBH4 by converting B-O bonds is energy intensive. We have evaluated the option of using organic liquid carriers, such as n-ethylcarbazole, which can be dehydrogenated thermolytically on-board a vehicle and rehydrogenated efficiently in a central plant by established methods and processes. While ammonia borane has a high hydrogen content, a solvent that keeps it in a liquid state needs to be found, and developing an AB regeneration scheme that is practical, economical and efficient remains a major challenge. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved. C1 [Ahluwalia, R. K.; Hua, T. Q.; Peng, J. K.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Ahluwalia, RK (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM walia@anl.gov FU U.S. Department of Energy's Office of Energy Efficiency and Renewable Energy; UChicago Argonne, LLC [DE-AC02-06CH11357] FX This work was supported by the Fuel Cell Technologies Program of the U.S. Department of Energy's Office of Energy Efficiency and Renewable Energy. Argonne National Laboratory, a U.S. Department of Energy Office of Science laboratory, is operated by UChicago Argonne, LLC, under Contract No. DE-AC02-06CH11357. NR 42 TC 67 Z9 69 U1 10 U2 99 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 FEB PY 2012 VL 37 IS 3 BP 2891 EP 2910 DI 10.1016/j.ijhydene.2011.05.040 PG 20 WC Chemistry, Physical; Electrochemistry; Energy & Fuels SC Chemistry; Electrochemistry; Energy & Fuels GA 903XV UT WOS:000301157300093 ER PT J AU Jablonski, PD Hawk, JA Cowen, CJ Maziasz, PJ AF Jablonski, Paul D. Hawk, Jeffery A. Cowen, Christopher J. Maziasz, Philip J. TI Processing of Advanced Cast Alloys for A-USC Steam Turbine Applications SO JOM LA English DT Article AB The high-temperature components within conventional supercritical coal-fired power plants are manufactured from ferritic/martensitic steels. To reduce greenhouse-gas emissions, the efficiency of pulverized coal steam power plants must be increased to as high a temperature and pressure as feasible. The proposed steam temperature in the DOE/NETL Advanced Ultra Supercritical power plant is high enough (760A degrees C) that ferritic/martensitic steels will not work for the majority of high-temperature components in the turbine or for pipes and tubes in the boiler due to temperature limitations of this class of materials. Thus, Ni-based superalloys are being considered for many of these components. Off-the-shelf forged nickel alloys have shown good promise at these temperatures, but further improvements can be made through experimentation within the nominal chemistry range as well as through thermomechanical processing and subsequent heat treatment. However, cast nickel-based superalloys, which possess high strength, creep resistance, and weldability, are typically not available, particularly those with good ductility and toughness that are weldable in thick sections. To address those issues related to thick casting for turbine casings, for example, cast analogs of selected wrought nickel-based superalloys such as alloy 263, Haynes 282, and Nimonic 105 have been produced. Alloy design criteria, melt processing experiences, and heat treatment are discussed with respect to the as-processed and heat-treated microstructures and selected mechanical properties. The discussion concludes with the prospects for full-scale development of a thick section casting for a steam turbine valve chest or rotor casing. C1 [Jablonski, Paul D.; Hawk, Jeffery A.; Cowen, Christopher J.] Natl Energy Technol Lab, Albany, OR 97321 USA. [Maziasz, Philip J.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Jablonski, PD (reprint author), Natl Energy Technol Lab, Albany, OR 97321 USA. EM paul.jablonski@netl.doe.gov OI Maziasz, Philip/0000-0001-8207-334X NR 10 TC 17 Z9 19 U1 7 U2 46 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1047-4838 J9 JOM-US JI JOM PD FEB PY 2012 VL 64 IS 2 BP 271 EP 279 DI 10.1007/s11837-012-0241-4 PG 9 WC Materials Science, Multidisciplinary; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing SC Materials Science; Metallurgy & Metallurgical Engineering; Mineralogy; Mining & Mineral Processing GA 902LQ UT WOS:000301040000014 ER PT J AU Weber, CF Kuske, CR AF Weber, Carolyn F. Kuske, Cheryl R. TI Comparative assessment of fungal cellobiohydrolase I richness and composition in cDNA generated using oligo(dT) primers or random hexamers SO JOURNAL OF MICROBIOLOGICAL METHODS LA English DT Article DE cDNA synthesis; Random hexamers; Oligo(dT); Cellobiohydrolase I gene; Soil fungi ID MESSENGER-RNA; RIBOSOMAL-RNA; GENE-EXPRESSION; ATMOSPHERIC CO2; FOREST SOILS; POLYADENYLATION; PCR; BIAS; TRANSCRIPTION; BACTERIA AB Understanding soil fungal distribution and activities, particularly at the level of gene expression, is important in unveiling mechanisms regulating their activities in situ. Recent identification of fungal genes involved in carbon cycling has provided the foundation for developing reverse-transcriptase PCR assays to monitor spatiotemporal gene expression patterns in soils and other complex microbial systems. The polyadenylated 3' ends of eukaryotic mRNA transcripts enables the use of oligo(dT) primers for cDNA synthesis, but this can result in the overrepresentation of the 3' end of transcripts in cDNA pools. In an effort to increase the uniformity of transcripts represented in cDNA pools, random hexamers have been used. The use of both priming methods is abundant in the literature, but we do not know how these methods perform relative to each other. We performed comparative richness and compositional analyses of the fungal glycosyl hydrolase family 7 cellobiohydrolase I gene cbhl amplified from soil cDNAs that had been generated using either oligo(dT) primers or random hexamers. Our results demonstrate that similar chill richness and composition were recovered using both approaches. Richness estimates and compositional profiles of cbhl sequence libraries generated from random hexamer-primed cDNA were more variable than from libraries generated from oligo(dT) primed cDNA. However, our overall results indicate that, on average, comparable richness and composition were recovered from soil cDNAs when either priming method was used. Published by Elsevier B.V. C1 [Weber, Carolyn F.; Kuske, Cheryl R.] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. RP Kuske, CR (reprint author), Los Alamos Natl Lab, Biosci Div, Mail Stop 888, Los Alamos, NM 87545 USA. EM kuske@lanl.gov FU U.S. Department of Energy (DOE) Office of Biological and Environmental Research [2009LANLF260]; Los Alamos National Laboratory FX We thank Rob Jackson and Rytas Vilgalys for access to the Duke Forest FACE site. This research was funded by the U.S. Department of Energy (DOE) Office of Biological and Environmental Research with a Science Focus Area grant (2009LANLF260) to CRK and by a Los Alamos National Laboratory Director's Postdoctoral Fellowship to CFW. Sanger sequencing was conducted by the U.S. DOE Joint Genome Institute at Los Alamos National Laboratory. NR 34 TC 0 Z9 0 U1 4 U2 18 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-7012 J9 J MICROBIOL METH JI J. Microbiol. Methods PD FEB PY 2012 VL 88 IS 2 BP 224 EP 228 DI 10.1016/j.mimet.2011.11.016 PG 5 WC Biochemical Research Methods; Microbiology SC Biochemistry & Molecular Biology; Microbiology GA 904AG UT WOS:000301165400006 PM 22178429 ER PT J AU Hatt, JK Loffler, FE AF Hatt, Janet K. Loeffler, Frank E. TI Quantitative real-time PCR (qPCR) detection chemistries affect enumeration of the Dehalococcoides 16S rRNA gene in groundwater SO JOURNAL OF MICROBIOLOGICAL METHODS LA English DT Article DE Quantitative real-time PCR (qPCR); SYBR Green; TaqMan; Dehalococcoides; Chlorinated solvents; Bioremediation ID POLYMERASE-CHAIN-REACTION; SYBR-GREEN-I; REDUCTIVE DEHALOGENASE GENES; VINYL-CHLORIDE; CONTAMINATED GROUNDWATER; DNA AMPLIFICATION; ETHENE; DETOXIFICATION; QUANTIFICATION; DECHLORINATION AB Quantitative real-time PCR (qPCR) commonly uses the fluorogenic 5' nuclease (TaqMan) and SYBR Green 1 (SG) detection chemistries to enumerate biomarker genes. Dehalococcoides (Dhc) are keystone bacteria for the detoxification of chlorinated ethenes, and the Dhc 16S ribosomal RNA (rRNA) gene serves as a biomarker for monitoring reductive dechlorination in contaminated aquifers. qPCR enumeration of Dhc biomarker genes using the TaqMan or SG approach with the same primer set yielded linear calibration curves over a seven orders of magnitude range with similar amplification efficiencies. The TaqMan assay discriminates specific from nonspecific amplification observed at low template concentrations with the SG assay, and had a 10-fold lower limit of detection of similar to 3 copies per assay. When applied to Dhc pure cultures and Dhc-containing consortia, both detection methods enumerated Dhc biomarker genes with differences not exceeding 3-fold. Greater variability was observed with groundwater samples, and the SG chemistry produced false-positive results or yielded up to 6-fold higher biomarker gene abundances compared to the TaqMan method. In most cases, the apparent error associated with SG detection resulted from quantification of nonspecific amplification products and was more pronounced with groundwater samples that had low biomarker concentrations or contained PCR inhibitors. Correction of the apparent error using post-amplification melting curve analysis produced 2 to 21-fold lower abundance estimates; however, gel electrophoretic analysis of amplicons demonstrated that melting curve analysis was insufficient to recognize all nonspecific amplification. Upon exclusion of nonspecific amplification products identified by combined melting curve and electrophoretic amplicon analyses, the SG method produced false-negative results compared to the TaqMan method. To achieve sensitive and accurate quantification of Dhc biomarker genes in environmental samples (e.g., groundwater) and avoid erroneous conclusions, the analysis should rely on TaqMan detection chemistry, unless additional analyses validate the results obtained with the SG approach. (C) 2012 Elsevier B.V. All rights reserved. C1 [Loeffler, Frank E.] Univ Tennessee, Dept Microbiol, Knoxville, TN 37996 USA. [Hatt, Janet K.] Georgia Inst Technol, Sch Civil & Environm Engn, Atlanta, GA 30332 USA. [Loeffler, Frank E.] Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN 37996 USA. [Loeffler, Frank E.] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN 37831 USA. RP Loffler, FE (reprint author), Univ Tennessee, Dept Microbiol, M409 Walters Life Sci Bldg, Knoxville, TN 37996 USA. EM frank.loeffler@utk.edu RI Loeffler, Frank/M-8216-2013 FU Strategic Environmental Research and Development Program (SERDP) [ER-1586, ER-1561] FX This research was supported by the Strategic Environmental Research and Development Program (SERDP) (project ER-1586 and project ER-1561). We thank Elizabeth Edwards of the University of Toronto for providing consortium KB-1 samples, and Erik Petrovskis of Geosyntec Consultants, Rob Steffan of Shaw Environmental, and Keith Henn of TetraTech Inc. for providing site samples, and acknowledge Kirsti Ritalahti for helpful discussions. NR 40 TC 13 Z9 13 U1 2 U2 39 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-7012 J9 J MICROBIOL METH JI J. Microbiol. Methods PD FEB PY 2012 VL 88 IS 2 BP 263 EP 270 DI 10.1016/j.mimet.2011.12.005 PG 8 WC Biochemical Research Methods; Microbiology SC Biochemistry & Molecular Biology; Microbiology GA 904AG UT WOS:000301165400011 PM 22200549 ER PT J AU Goel, A McCloy, JS Fox, KM Leslie, CJ Riley, BJ Rodriguez, CP Schweiger, MJ AF Goel, Ashutosh McCloy, John S. Fox, Kevin M. Leslie, Clifford J. Riley, Brian J. Rodriguez, Carmen P. Schweiger, Michael J. TI Structural analysis of some sodium and alumina rich high-level nuclear waste glasses SO JOURNAL OF NON-CRYSTALLINE SOLIDS LA English DT Article DE Nepheline; Nuclear waste glass; Molecular structure; Infrared spectroscopy; Borosilicate glass ID SPINEL-NEPHELINE LIQUIDUS; BOROSILICATE GLASSES; ALUMINOSILICATE GLASSES; SILICATE-GLASSES; CRYSTALLIZATION; IRON; SPECTROSCOPY; VISCOSITY; AL2O3; MELTS AB Sodium- and aluminum-rich high-level nuclear waste glasses are prone to nepheline (NaAlSiO4) crystallization. Since nepheline removes three moles of glass-forming oxides (Al2O3 and SiO2) per mole of Na2O, the formation of this phase can result in severe deterioration of the chemical durability in a given glass. The present study aims to investigate the relationships between the molecular-level structure and the crystallization behavior of sodium alumino-borosilicate-based simulated high-level nuclear waste glasses with infrared spectroscopy (FTIR) and X-ray diffraction, respectively. The molecular structure of most of the investigated glasses comprise a mixture of Q(2) and Q(3) (Si) units while aluminum and boron are predominantly present in tetrahedral and trigonal coordination, respectively. The increasing boron content has been shown to suppress the nepheline formation in the glasses. The structural influence of various glass components on nepheline crystallization is discussed. (C) 2011 Elsevier B.V. All rights reserved. C1 [Goel, Ashutosh; McCloy, John S.; Riley, Brian J.; Rodriguez, Carmen P.; Schweiger, Michael J.] Pacific NW Natl Lab, Richland, WA 99354 USA. [Fox, Kevin M.] Savannah River Natl Lab, Aiken, SC 29808 USA. [Leslie, Clifford J.] Univ Washington, Dept Mat Sci & Engn, Seattle, WA 98195 USA. RP Goel, A (reprint author), Pacific NW Natl Lab, Richland, WA 99354 USA. EM ashutosh.goel@pnnl.gov RI McCloy, John/D-3630-2013; Goel, Ashutosh/J-9972-2012; OI McCloy, John/0000-0001-7476-7771; Riley, Brian/0000-0002-7745-6730 NR 29 TC 9 Z9 10 U1 5 U2 40 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 FEB 1 PY 2012 VL 358 IS 3 BP 674 EP 679 DI 10.1016/j.jnoncrysol.2011.11.015 PG 6 WC Materials Science, Ceramics; Materials Science, Multidisciplinary SC Materials Science GA 904OE UT WOS:000301207000033 ER PT J AU Byun, TS Lewis, WD Toloczko, MB Maloy, SA AF Byun, Thak Sang Lewis, W. Daniel Toloczko, Mychailo B. Maloy, Stuart A. TI Impact properties of irradiated HT9 from the fuel duct of FFTF SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID CONTAINING MARTENSITIC STEELS; FRACTURE-TOUGHNESS; MECHANICAL-PROPERTIES; FERRITIC STEELS; STAINLESS-STEEL; CORE MATERIALS; SPECIMEN SIZE; TEMPERATURE; REACTORS; BEHAVIOR AB This paper reports Charpy impact test data for the ACO-3 duct material (HT9) from the Fast Flux Test Facility (FFTF) and its archive material. Irradiation doses for the specimens were in the range of 3148 dpa and irradiation temperatures in the range of 378-504 degrees C. The impact tests were performed for the small V-notched Charpy specimens with dimensions of 3 x 4 x 27 mm at an impact speed of 3.2 m/s in a 25J capacity machine. Irradiation lowered the upper-shelf energy (USE) and increased the transition temperatures significantly. The shift of ductile-brittle transition temperatures (Delta DBTT) was greater after relatively low temperature irradiation. The USE values were in the range of 5.5-6.7 J before irradiation and decreased to the range of 2-5 J after irradiation. Lower USEs were measured for lower irradiation temperatures and specimens with T-L orientation. The dose dependences of transition temperature and USE were not significant because of the radiation effect on impact behavior nearly saturated at the lowest dose of about 3 dpa. A comparison showed that the lateral expansion of specimens showed a linear correlation with absorbed impact energy, but with large scatter in the results. Size effect was also discussed to clarify the differences in the impact property data from subsize and standard specimens as well as to provide a basis for comparison of data from different specimens. The USE and Delta DBTT data from different studies were compared. Published by Elsevier B.V. C1 [Byun, Thak Sang; Lewis, W. Daniel] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Toloczko, Mychailo B.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Maloy, Stuart A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Byun, TS (reprint author), Oak Ridge Natl Lab, 1 Bethel Valley Rd, Oak Ridge, TN 37831 USA. EM byunts@ornl.gov RI Maloy, Stuart/A-8672-2009 OI Maloy, Stuart/0000-0001-8037-1319 FU US Department of Energy, Office of Nuclear Energy [DE-AC05-00OR22725]; UT-Battelle, LLC FX This research was sponsored by US Department of Energy, Office of Nuclear Energy under Contract DE-AC05-00OR22725 with UT-Battelle, LLC. The authors would like to express special thanks to Drs. R.L. Klueh and J.H. Baek for their technical reviews and thoughtful comments. NR 37 TC 10 Z9 10 U1 4 U2 10 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD FEB PY 2012 VL 421 IS 1-3 BP 104 EP 111 DI 10.1016/j.jnucmat.2011.11.059 PG 8 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 900XG UT WOS:000300924600016 ER PT J AU Hosemann, P Hofer, C Hlawacek, G Li, N Maloy, SA Teichert, C AF Hosemann, Peter Hofer, Christian Hlawacek, Gregor Li, Ning Maloy, Stuart A. Teichert, Christian TI Structural, electrical and magnetic measurements on oxide layers grown on 316L exposed to liquid lead-bismuth eutectic SO JOURNAL OF NUCLEAR MATERIALS LA English DT Article ID OXIDATION MECHANISM; FE-9CR-1MO STEEL; STAINLESS-STEEL; FLOWING LEAD; ELEVATED-TEMPERATURES; MOLTEN LEAD; DEGREES-C; CORROSION; ALLOY; BEHAVIOR AB Fast reactors and spallation neutron sources may use lead-bismuth eutectic (LBE) as a coolant. Its physical, chemical, and irradiation properties make it a safe coolant compared to Na cooled designs. However, LBE is a corrosive medium for most steels and container materials. The present study was performed to evaluate the corrosion behavior of the austenitic steel 316L (in two different delivery states). Detailed atomic force microscopy, magnetic force microscopy, conductive atomic force microscopy, and scanning transmission electron microscopy analyses have been performed on the oxide layers to get a better understanding of the corrosion and oxidation mechanisms of austenitic and ferritic/martensitic stainless steel exposed to LBE. The oxide scale formed on the annealed 316L material consisted of multiple layers with different compositions, structures, and properties. The innermost oxide layer maintained the grain structure of what used to be the bulk steel material and shows two phases, while the outermost oxide layer possessed a columnar grain structure. (c) 2011 Elsevier B.V. All rights reserved. C1 [Hosemann, Peter] Univ Calif Berkeley, Berkeley, CA 94720 USA. [Hofer, Christian; Teichert, Christian] Univ Min & Met Leoben, A-8700 Leoben, Austria. [Li, Ning; Maloy, Stuart A.] Los Alamos Natl Lab, Los Alamos, NM 87544 USA. [Hlawacek, Gregor] Univ Twente, MESA Inst Nanotechnol, NL-7500 AE Enschede, Netherlands. RP Hosemann, P (reprint author), Univ Calif Berkeley, 4169 Etcheverry Hall, Berkeley, CA 94720 USA. EM peterh@berkeley.edu RI Lujan Center, LANL/G-4896-2012; Hlawacek, Gregor/C-7164-2008; Teichert, Christian/F-1003-2013; Maloy, Stuart/A-8672-2009; OI Hlawacek, Gregor/0000-0001-7192-716X; Teichert, Christian/0000-0002-0796-2355; Maloy, Stuart/0000-0001-8037-1319; Hosemann, Peter/0000-0003-2281-2213 NR 31 TC 8 Z9 8 U1 1 U2 16 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0022-3115 J9 J NUCL MATER JI J. Nucl. Mater. PD FEB PY 2012 VL 421 IS 1-3 BP 140 EP 146 DI 10.1016/j.jnucmat.2011.11.042 PG 7 WC Materials Science, Multidisciplinary; Nuclear Science & Technology SC Materials Science; Nuclear Science & Technology GA 900XG UT WOS:000300924600021 ER PT J AU Wilson, MP Madison, HN Healy, SB AF Wilson, Michael P. Madison, Heather N. Healy, Stephen B. TI Confined Space Emergency Response: Assessing Employer and Fire Department Practices SO JOURNAL OF OCCUPATIONAL AND ENVIRONMENTAL HYGIENE LA English DT Article DE arrival time; confined space; emergency response; fire departments; occupational fatalities; OSHA regulation ID ILLNESS; INJURY; US AB An emergency response plan for industrial permit-required confined space entry is essential for employee safety and is legally required. Maintaining a trained confined space rescue team, however; is costly and technically challenging. Some employers turn to public fire departments to meet their emergency response requirements. The confined space emergency response practices of employers and fire departments have not been previously assessed. We present ( I) federal data on the U.S. occurrence between 1992 and 2005 of confined space fatal incidents involving toxic and/or oxygen-deficient atmospheres; (2) survey data from 21 large companies on permit-required confined space emergency response practices; (3) data on fire department arrival times; and (4) estimates by 10 senior fire officers of fire department rescue times for confined space incidents. Between 1992 and 2005, 431 confined space incidents that met the case definition claimed 530 lives, or about 0.63% of the 84,446 all-cause U.S. occupational fatal injuries that occurred during this period. Eighty-seven (20%) incidents resulted in multiple fatalities. Twelve (57%) of 21 surveyed companies reported that they relied on the fire department for permit-required confined space emergency response. Median fire department arrival times were about 5 min for engines and 7 min for technical rescue units. Fire department confined space rescue time estimates ranged from 48 to 123 min and increased to 70 and 173 min when hazardous materials were present. The study illustrates that (1) confined space incidents represent a small but continuing source of fatal occupational injuries in the United States; (2) a sizeable portion of employers may be relying on public fire departments for permit-required confined space emergency response; and (3) in the event of a life-threatening emergency, fire departments usually are not able to effect a confined space rescue in a timely manner: We propose that the appropriate role for the fire department is to support a properly trained and equipped on-site rescue team and to provide advanced life support intervention following extrication and during ambulance transportation. C1 [Wilson, Michael P.] Univ Calif Berkeley, Sch Publ Hlth, Labor Occupat Hlth Program, Ctr Occupat & Environm Hlth, Berkeley, CA 94720 USA. [Madison, Heather N.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Healy, Stephen B.] Moraga Orinda Fire Protect Dist, Orinda, CA USA. RP Wilson, MP (reprint author), Univ Calif Berkeley, Sch Publ Hlth, Labor Occupat Hlth Program, Ctr Occupat & Environm Hlth, 3334 Fulton St,4th Floor, Berkeley, CA 94720 USA. EM mpwilson@berkeley.edu FU Center for Occupational and Environmental Health, School of Public Health, University of California, Berkeley FX The authors thank the Center for Occupational and Environmental Health, School of Public Health, University of California, Berkeley, for supporting the preparation of this article, and Megan Schwarzman of UC Berkeley for editorial review. NR 21 TC 6 Z9 7 U1 1 U2 11 PU TAYLOR & FRANCIS INC PI PHILADELPHIA PA 325 CHESTNUT ST, SUITE 800, PHILADELPHIA, PA 19106 USA SN 1545-9624 J9 J OCCUP ENVIRON HYG JI J. Occup. Environ. Hyg. PD FEB PY 2012 VL 9 IS 2 BP 120 EP 128 DI 10.1080/15459624.2011.646644 PG 9 WC Environmental Sciences; Public, Environmental & Occupational Health SC Environmental Sciences & Ecology; Public, Environmental & Occupational Health GA 901JH UT WOS:000300962700010 PM 22300305 ER PT J AU Aryal, UK Stockel, J Welsh, EA Gritsenko, MA Nicora, CD Koppenaal, DW Smith, RD Pakrasi, HB Jacobs, JM AF Aryal, Uma K. Stoeckel, Jana Welsh, Eric A. Gritsenko, Marina A. Nicora, Carrie D. Koppenaal, David W. Smith, Richard D. Pakrasi, Himadri B. Jacobs, Jon M. TI Dynamic Proteome Analysis of Cyanothece sp ATCC 51142 under Constant Light SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE cyanobateria; Cyanothece ATCC51142; dynamic proteome; metabolic labeling; mass spectrometry; N-2-fixation; photosynthesis ID TIME TAG APPROACH; SP STRAIN ATCC-51142; MASS-SPECTROMETRY; ACCURATE MASS; NITROGEN ASSIMILATION; GLUTAMINE-SYNTHETASE; PHOTOSYSTEM-II; CYANOBACTERIUM; TURNOVER; CELLS AB Understanding the dynamic nature of protein abundances provides insights into protein turnover not readily apparent from conventional, static mass spectrometry measurements. This level of data is particularly informative when surveying protein abundances in biological systems subjected to large perturbations or alterations in environment such as cyanobacteria. Our current analysis expands upon conventional proteomic approaches in cyanobacteria by measuring dynamic changes of the proteome using a (CN)-C-13-N-15-L-leucine metabolic labeling in Cyanothece ATCC51142. Metabolically labeled Cyanothece ATCC51142 cells grown under nitrogen-sufficient conditions in continuous light were monitored longitudinally for isotope incorporation over a 48 h period, revealing 414 proteins with dynamic changes in abundances. In particular, proteins involved in carbon fixation, pentose phosphate pathway, cellular protection, redox regulation, protein folding, assembly, and degradation showed higher levels of isotope incorporation, suggesting that these biochemical pathways are important for growth under continuous light. Calculation of relative isotope abundances (RIA) values allowed the measurement of actual active protein synthesis over time for different biochemical pathways under high light exposure. Overall results demonstrated the utility of "non-steady state" pulsed metabolic labeling for systems-wide dynamic quantification of the proteome in Cyanothece ATCC51142 that can also be applied to other cyanobacteria. C1 [Aryal, Uma K.; Gritsenko, Marina A.; Nicora, Carrie D.; Koppenaal, David W.; Smith, Richard D.; Jacobs, Jon M.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Stoeckel, Jana; Welsh, Eric A.; Pakrasi, Himadri B.] Washington Univ, Dept Biol, St Louis, MO 63130 USA. RP Jacobs, JM (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM jon.jacobs@pnnl.gov RI Smith, Richard/J-3664-2012 OI Smith, Richard/0000-0002-2381-2349 FU U.S. Department of Energy's Office of Biological and Environmental Research [DE-ACO5-76RLO 1830] FX We thank all of the members of the Smith and Pakrasi Laboratories for their collegial discussions. This work is part of a Membrane Biology Scientific Grand Challenge (MBGC) project at the W.R. Wiley Environmental Molecular Science Laboratory, a national scientific user facility sponsored by the U.S. Department of Energy's Office of Biological and Environmental Research Program and located at Pacific Northwest National Laboratory (PNNL), Richland, WA. Battelle operates PNNL for the DOE under Contract DE-ACO5-76RLO 1830. NR 54 TC 11 Z9 12 U1 1 U2 19 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 EI 1535-3907 J9 J PROTEOME RES JI J. Proteome Res. PD FEB PY 2012 VL 11 IS 2 BP 609 EP 619 DI 10.1021/pr200959x PG 11 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 894WN UT WOS:000300458300009 PM 22060561 ER PT J AU Shen, YF Tolic, N Purvine, SO Smith, RD AF Shen, Yufeng Tolic, Nikola Purvine, Samuel O. Smith, Richard D. TI Improving Collision Induced Dissociation (CID), High Energy Collision Dissociation (HCD), and Electron Transfer Dissociation (ETD) Fourier Transform MS/MS Degradome-Peptidome Identifications Using High Accuracy Mass Information SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE FT MS/MS; CID; HCD; ETD; peptides; nontryptic peptides; peptidome; degradome; merging of spectra; scoring of spectra ID PROTEIN IDENTIFICATION; DATABASE SEARCH; SPECTROMETRY; SPECTRA; TAGS; TOOL AB MS dissociation methods, including collision induced dissociation (CID), high energy collision dissociation (HCD), and electron transfer dissociation (ETD), can each contribute distinct peptidome identifications using conventional peptide identification methods (Shen et al. J. Proteome Res. 2011), but such samples still pose significant informatics challenges. In this work, we explored utilization of high accuracy fragment ion mass measurements, in this case provided by Fourier transform MS/MS, to improve peptidome peptide data set size and consistency relative to conventional descriptive and probabilistic scoring methods. For example, we identified 20-40% more peptides than SEQUEST, Mascot, and MS_GF scoring methods using high accuracy fragment ion information and the same false discovery rate (FDR) from CID, HCD, and ETD spectra. Identified species covered >90% of the collective identifications obtained using various conventional peptide identification methods, which significantly addresses the common issue of different data analysis methods generating different peptide data sets. Choice of peptide dissociation and high-precision measurement-based identification methods presently available for degradomic-peptidomic analyses needs to be based on the coverage and confidence (or specificity) afforded by the method, as well as practical issues (e.g., throughput). By using accurate fragment information, >1000 peptidome components can be identified from a single human blood plasma analysis with low peptide-level FDRs (e.g., 0.6%), providing an improved basis for investigating potential disease-related peptidome components. C1 [Shen, Yufeng; Smith, Richard D.] Pacific NW Natl Lab, Biol Sci Div, Richland, WA 99354 USA. [Tolic, Nikola; Purvine, Samuel O.] Pacific NW Natl Lab, Environm Mol Sci Lab, Richland, WA 99354 USA. RP Shen, YF (reprint author), Pacific NW Natl Lab, Biol Sci Div, Richland, WA 99354 USA. EM Yufeng.shen@pnnl.gov; rds@pnnl.gov RI Smith, Richard/J-3664-2012 OI Smith, Richard/0000-0002-2381-2349 FU NIH National Center for Research Resources [RR18522]; DOE [DE-AC05-76RLO-1830] FX This research was partially supported by the NIH National Center for Research Resources (RR18522). Work was performed in the Environmental Molecular Science Laboratory, a U.S. Department of Energy (DOE) Office of Biological and Environmental Research (DOE/BER) national scientific user facility located on the campus of Pacific Northwest National Laboratory (PNNL) in Richland, Washington. PNNL is a multiprogram national laboratory operated by Battelle for the DOE under contract DE-AC05-76RLO-1830. NR 24 TC 10 Z9 11 U1 2 U2 20 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 J9 J PROTEOME RES JI J. Proteome Res. PD FEB PY 2012 VL 11 IS 2 BP 668 EP 677 DI 10.1021/pr200597j PG 10 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 894WN UT WOS:000300458300014 PM 22054047 ER PT J AU Savidor, A Teper, D Gartemann, KH Eichenlaub, R Chalupowicz, L Manulis-Sasson, S Barash, I Tews, H Mayer, K Giannone, RJ Hettich, RL Sessa, G AF Savidor, Alon Teper, Doron Gartemann, Karl-Heinz Eichenlaub, Rudolf Chalupowicz, Laura Manulis-Sasson, Shulamit Barash, Isaac Tews, Helena Mayer, Kerstin Giannone, Richard J. Hettich, Robert L. Sessa, Guido TI The Clavibacter michiganensis subsp michiganensis-Tomato Interactome Reveals the Perception of Pathogen by the Host and Suggests Mechanisms of Infection SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE Solanum lycopersicum (tomato); Clavibacter michiganensis subsp michiganensis (Cmm); proteomics; multidimensional protein identification technology (MudPIT); mass spectrometry; secretion; annotation; comparative analysis; interactome; NSAF ID DIFFERENTIALLY EXPRESSED PROTEINS; PROTEOMIC ANALYSIS; COLLETOTRICHUM-GLOEOSPORIOIDES; PHYTOPATHOGENIC BACTERIUM; SACCHAROMYCES-CEREVISIAE; PHYTOPHTHORA-INFESTANS; ARABIDOPSIS-THALIANA; SHOTGUN PROTEOMICS; GENOME ANNOTATION; VIRULENCE FACTORS AB The Gram-positive bacterium Clavibacter michiganensis subsp. michiganensis (Cmm) causes wilt and canker disease of tomato (Solanum lycopersicum). Mechanisms of Cmm pathogenicity and tomato response to Cmm infection are not well understood. To explore the interaction between Cmm and tomato, multidimensional protein identification technology (MudPIT) and tandem mass spectrometry were used to analyze in vitro and in planta generated samples. The results show that during infection Cmm senses the plant environment, transmits signals, induces, and then secretes multiple hydrolytic enzymes, including serine proteases of the Pat-1, Ppa, and Sbt familes, the CelA, XysA, and NagA glycosyl hydrolases, and other cell wall-degrading enzymes. Tomato induction of pathogenesis-related (PR) proteins, LOX1, and other defense-related proteins during infection indicates that the plant senses the invading bacterium and mounts a basal defense response, although partial with some suppressed components including class III peroxidases and a secreted serine peptidase. The tomato ethylene-synthesizing enzyme ACC-oxidase was induced during infection with the wild-type Cmm but not during infection with an endophytic Cmm strain, identifying Cmm-triggered host synthesis of ethylene as an important factor in disease symptom development. The proteomic data were also used to improve Cmm genome annotation, and thousands of Cmm gene models were confirmed or expanded. C1 [Savidor, Alon; Teper, Doron; Barash, Isaac; Sessa, Guido] Tel Aviv Univ, Dept Mol Biol & Ecol Plants, IL-69978 Tel Aviv, Israel. [Gartemann, Karl-Heinz; Eichenlaub, Rudolf; Tews, Helena; Mayer, Kerstin] Univ Bielefeld, Fac Biol, Dept Genetechnol Microbiol, D-33501 Bielefeld, Germany. [Chalupowicz, Laura; Manulis-Sasson, Shulamit] ARO, Volcani Ctr, Dept Plant Pathol & Weed Res, IL-50250 Bet Dagan, Israel. [Giannone, Richard J.; Hettich, Robert L.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Sessa, G (reprint author), Tel Aviv Univ, Dept Mol Biol & Ecol Plants, IL-69978 Tel Aviv, Israel. EM guidos@post.tau.ac.il RI Gartemann, Karl-Heinz/I-5065-2012; Hettich, Robert/N-1458-2016 OI Gartemann, Karl-Heinz/0000-0002-4886-1294; Hettich, Robert/0000-0001-7708-786X FU European Union [239415, FP7/2007-2013]; Israeli Ministry of Absorption; German Research Foundation; Palestinian Authority; U.S.-Israel Binational Agricultural Research and Development Fund [IS-4047-07]; [EI 535/12-1] FX We thank Dr. Brian K. Erickson for assistance in signal peptide prediction and Brian D. Dill for technical assistance with mass spectrometry. We thank the Sol genomics network and Dr. Lukas A. Mueller in particular for providing tomato sequence and annotation files. The research leading to these results has received funding from the European Union's Seventh Framework Programme (FP7/2007-2013) under grant agreement no. 239415. This study was supported by the Israeli Ministry of Absorption, by the German Research Foundation program for trilateral cooperation among Israel, Palestinian Authority, and Germany (grant no. EI 535/12-1 to RE., S.M., I.B., and G.S.), and by the U.S.-Israel Binational Agricultural Research and Development Fund (grant no. IS-4047-07 to S.M., I.B., and G.S.). NR 75 TC 14 Z9 16 U1 0 U2 26 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 J9 J PROTEOME RES JI J. Proteome Res. PD FEB PY 2012 VL 11 IS 2 BP 736 EP 750 DI 10.1021/pr200646a PG 15 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 894WN UT WOS:000300458300020 PM 22098337 ER PT J AU Wheeler, KE Erickson, BK Mueller, R Singer, SW VerBerkrnoes, NC Hwang, M Thelen, MP Hettich, RL AF Wheeler, Korin E. Erickson, Brian K. Mueller, Ryan Singer, Steven W. VerBerkrnoes, Nathan C. Hwang, Mona Thelen, Michael P. Hettich, Robert L. TI Metal Affinity Enrichment Increases the Range and Depth of Proteome Identification for Extracellular Microbial Proteins SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE proteomics; mass spectrometry; microbes; metal affinity; enrichment; extracellular proteome; IMAC ID SPECTROMETRY-BASED PROTEOMICS; MASS-SPECTROMETRY; COMMUNITY PROTEOMICS; CHROMATOGRAPHY; BINDING; BACTERIA; EXPRESSION; TRANSPORT; CORRELATE; BIOFILMS AB Many key proteins, such as those involved in cellular signaling or transcription, are difficult to measure in microbial proteomic experiments due to the interfering presence of more abundant, dominant proteins. In an effort to enhance the identification of previously undetected proteins, as well as provide a methodology for selective enrichment, we evaluated and optimized immobilized metal affinity chromatography (IMAC) coupled with mass spectrometric characterization of extracellular proteins from an extremophilic microbial community. Seven different metals were tested for IMAC enrichment. The combined results added similar to 20% greater proteomic depth to the extracellular proteome. Although this IMAC enrichment could not be conducted at the physiological pH of the environmental system, this approach did yield a reproducible and specific enrichment of groups of proteins with functions potentially vital to the community, thereby providing a more extensive biochemical characterization. Notably, 40 unknown proteins previously annotated as "hypothetical" were enriched and identified for the first time. Examples of identified proteins includes a predicted TonB signal sensing protein homologous to other known TonB proteins and a protein with a COXG domain previously identified in many chemolithoautotrophic microbes as having a function in the oxidation of CO. C1 [Wheeler, Korin E.; Singer, Steven W.; Hwang, Mona; Thelen, Michael P.] Lawrence Livermore Natl Lab, Phys & Life Sci Directorate, Livermore, CA USA. [Hettich, Robert L.] Oak Ridge Natl Lab, Div Chem Sci, Dept Chem & Biochem, Oak Ridge, TN 37831 USA. [Erickson, Brian K.] Univ Tennessee, Grad Sch Genome Sci & Technol, Knoxville, TN USA. [Mueller, Ryan] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. RP Wheeler, KE (reprint author), Santa Clara Univ, Dept Chem & Biochem, 500 El Camino Real, Santa Clara, CA 95053 USA. EM kwheeler@scu.edu; hettichrl@ornl.gov RI Thelen, Michael/C-6834-2008; Thelen, Michael/G-2032-2014; Hettich, Robert/N-1458-2016 OI Thelen, Michael/0000-0002-2479-5480; Thelen, Michael/0000-0002-2479-5480; Hettich, Robert/0000-0001-7708-786X FU Genome Science and Technology Graduate School at UT-Knoxville; U.S. Department of Energy FX We acknowledge Dr. Jill Banfield for the collection and use of the microbial community samples. B.K.E. acknowledges graduate stipend support from the Genome Science and Technology Graduate School at UT-Knoxville. Research funding was provided by the Genomics Science Program, U.S. Department of Energy. Oak Ridge National Laboratory is managed by University of Tennessee-Battelle LLC for the Department of Energy. NR 44 TC 1 Z9 1 U1 0 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 J9 J PROTEOME RES JI J. Proteome Res. PD FEB PY 2012 VL 11 IS 2 BP 861 EP 870 DI 10.1021/pr200693u PG 10 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 894WN UT WOS:000300458300030 PM 22191549 ER PT J AU Kinsinger, CR Apffel, J Baker, M Bian, XP Borchers, CH Bradshaw, R Brusniak, MY Chan, DW Deutsch, EW Domon, B Gorman, J Grimm, R Hancock, W Hermjakob, H Horn, D Hunter, C Kolar, P Kraus, HJ Langen, H Linding, R Moritz, RL Omenn, GS Orlando, R Pandey, A Ping, PP Rahbar, A Rivers, R Seymour, SL Simpson, RJ Slotta, D Smith, RD Stein, SE Tabb, DL Tagle, D Yates, JR Rodriguez, H AF Kinsinger, Christopher R. Apffel, James Baker, Mark Bian, Xiaopeng Borchers, Christoph H. Bradshaw, Ralph Brusniak, Mi-Youn Chan, Daniel W. Deutsch, Eric W. Domon, Bruno Gorman, Jeff Grimm, Rudolf Hancock, William Hermjakob, Henning Horn, David Hunter, Christie Kolar, Patrik Kraus, Hans-Joachim Langen, Hanno Linding, Rune Moritz, Robert L. Omenn, Gilbert S. Orlando, Ron Pandey, Akhilesh Ping, Peipei Rahbar, Amir Rivers, Robert Seymour, Sean L. Simpson, Richard J. Slotta, Douglas Smith, Richard D. Stein, Stephen E. Tabb, David L. Tagle, Danilo Yates, John R., III Rodriguez, Henry TI Recommendations for Mass Spectrometry Data Quality Metrics for Open Access Data (Corollary to the Amsterdam Principles) SO JOURNAL OF PROTEOME RESEARCH LA English DT Article DE selected reaction monitoring; bioinformatics; data quality; metrics; open access; Amsterdam Principles; standards ID PROTEIN IDENTIFICATION DATA; SHOTGUN PROTEOMICS; PEPTIDE IDENTIFICATION; CLINICAL PROTEOMICS; MINIMUM INFORMATION; STATISTICAL-MODEL; GUIDELINES; RESOURCE; SPECTRA; REPRODUCIBILITY AB Policies supporting the rapid and open sharing of proteomic data are being implemented by the leading journals in the field. The proteomics community is taking steps to ensure that data are made publicly accessible and are of high quality, a challenging task that requires the development and deployment of methods for measuring and documenting data quality metrics. On September 18, 2010, the U.S. National Cancer Institute (NCI) convened the "International Workshop on Proteomic Data Quality Metrics" in Sydney, Australia, to identify and address issues facing the development and use of such methods for open access proteomics data. The stakeholders at the workshop enumerated the key principles underlying a framework for data quality assessment in mass spectrometry data that will meet the needs of the research community, journals, funding agencies, and data repositories. Attendees discussed and agreed up on two primary needs for the wide use of quality metrics: (1) an evolving list of comprehensive quality metrics and (2) standards accompanied by software analytics. Attendees stressed the importance of increased education and training programs to promote reliable protocols in proteomics. This workshop report explores the historic precedents, key discussions, and necessary next steps to enhance the quality of open access data. By agreement, this article is published simultaneously in the Journal of Proteome Research, Molecular and Cellular Proteomics, Proteomics, and Proteomics Clinical Applications as a public service to the research community. The peer review process was a coordinated effort conducted by a panel of referees selected by the journals. C1 [Kinsinger, Christopher R.] NCI, Off Canc Clin Prote Res, NIH, Bethesda, MD 20892 USA. Agilent Res Labs, Santa Clara, CA 95051 USA. Macquarie Univ, Dept Chem & Biomol Sci, Sydney, NSW 2109, Australia. NCI, Ctr Bioinformat & Informat Technol, NIH, Bethesda, MD 20892 USA. Univ Victoria, Genome BC Prote Ctr, Victoria, BC V8Z 7X8, Canada. Univ Calif San Francisco, Mass Spectrometry Facil, San Francisco, CA 94143 USA. Inst Syst Biol, Seattle, WA 98103 USA. Johns Hopkins Univ, Sch Med, Dept Pathol, Baltimore, MD 21231 USA. Inst Syst Biol, Seattle, WA 98109 USA. CRP Sante, Luxembourg Clin Prote Ctr, L-1445 Strassen, Luxembourg. Queensland Inst Med Res, Prot Discovery Ctr, Herston, Qld 4029, Australia. Agilent Technol, Santa Clara, CA 95051 USA. Northeastern Univ, Dept Chem & Chem Biol, Boston, MA 02115 USA. European Bioinformat Inst, Prote Serv, Cambridge CB10 1SD, England. Thermo Fisher Sci, Prote Software Strateg Mkt, San Jose, CA 95134 USA. AB SCIEX, Foster City, CA 94404 USA. Commiss European Communities, Directorate Gen Res, B-1049 Brussels, Belgium. Wiley VCH, D-69469 Weinheim, Germany. Hoffmann La Roche AG, Exploratory Biomarkers, CH-4070 Basel, Switzerland. Tech Univ Denmark DTU, Cellular Signal Integrat Grp C SIG, Ctr Biol Sequence Anal CBS, Dept Syst Biol, DK-2800 Lyngby, Denmark. Inst Syst Biol, Cellular & Mol Log Unit, Seattle, WA 98103 USA. Univ Michigan, Ctr Computat Med & Bioinformat, Ann Arbor, MI 48109 USA. Univ Georgia, Complex Carbohydrate Res Ctr, Athens, GA 30602 USA. Johns Hopkins Univ, McKusick Nathans Inst Genet Med, Baltimore, MD 21231 USA. Univ Calif Los Angeles, David Geffen Sch Med, Los Angeles, CA 90095 USA. NCI, Small Business Dev Ctr, NIH, Bethesda, MD 20892 USA. La Trobe Univ, La Trobe Inst Mol Sci, Bundoora, Vic 3086, Australia. NIH, Natl Ctr Biotechnol Informat, Bethesda, MD 20892 USA. Pacific NW Natl Lab, Richland, WA 99352 USA. NIST, Chem Reference Data Grp, Gaithersburg, MD 20899 USA. Vanderbilt Ingram Canc Ctr, Nashville, TN 37232 USA. Natl Inst Neurol Disorders & Stroke, NIH, Bethesda, MD 20892 USA. Scripps Res Inst, La Jolla, CA 92037 USA. RP Kinsinger, CR (reprint author), NCI, Off Canc Clin Prote Res, NIH, 31 Ctr Dr,MSC 2580, Bethesda, MD 20892 USA. EM kinsingc@mail.nih.gov RI Pandey, Akhilesh/B-4127-2009; Smith, Richard/J-3664-2012; OI Pandey, Akhilesh/0000-0001-9943-6127; Smith, Richard/0000-0002-2381-2349; Ping, Peipei/0000-0003-3583-3881; Omenn, Gilbert S./0000-0002-8976-6074; Hermjakob, Henning/0000-0001-8479-0262; Baker, Mark/0000-0001-5858-4035 FU Intramural NIH HHS [Z99 CA999999]; NHGRI NIH HHS [RC2 HG005805]; NIGMS NIH HHS [P50 GM076547] NR 51 TC 5 Z9 5 U1 4 U2 40 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1535-3893 EI 1535-3907 J9 J PROTEOME RES JI J. Proteome Res. PD FEB PY 2012 VL 11 IS 2 BP 1412 EP 1419 DI 10.1021/pr201071t PG 8 WC Biochemical Research Methods SC Biochemistry & Molecular Biology GA 894WN UT WOS:000300458300077 PM 22053864 ER PT J AU Bhattacharyya, D Demkowicz, MJ Wang, YQ Baumer, RE Nastasi, M Misra, A AF Bhattacharyya, D. Demkowicz, M. J. Wang, Y. -Q. Baumer, R. E. Nastasi, M. Misra, A. TI A Transmission Electron Microscopy Study of the Effect of Interfaces on Bubble Formation in He-Implanted Cu-Nb Multilayers SO MICROSCOPY AND MICROANALYSIS LA English DT Article DE transmission electron microscopy; nanoscale multilayers; He bubbles; interface effects ID HELIUM; IRRADIATION; ALLOYS; STEELS; TEMPERATURE; METALS; DAMAGE AB Magnetron sputtered thin films of Cu, Nb, and Cu-Nb multilayers with 2.5 and 5 nm nominal layer thickness were deposited on Si and implanted with He-4(+) and He-3(+) ions. Secondary ion mass spectroscopy and nuclear reaction analysis, respectively, were used to measure the He-4(+) and He-3(+) concentration profile with depth inside the films. Cross-sectional transmission electron microscopy was used to characterize the helium bubbles. Analysis of the contrast from helium bubbles in defocused transmission electron microscope images showed a minimum bubble diameter of 1.25 nm. While pure Cu and Nb films showed bubble contrast over the entire range of helium implantation, the multilayers exhibited bubbles only above a critical He concentration that increased almost linearly with decreasing layer thickness. The work shows that large amounts of helium can be trapped at incoherent interfaces in the form of stable, nanometer-size bubbles. C1 [Bhattacharyya, D.; Baumer, R. E.; Nastasi, M.; Misra, A.] Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. [Demkowicz, M. J.] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. [Wang, Y. -Q.] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA. RP Bhattacharyya, D (reprint author), Los Alamos Natl Lab, Mat Phys & Applicat Div, Los Alamos, NM 87545 USA. EM dhriti@gmail.com RI Misra, Amit/H-1087-2012 FU Center for Materials at Irradiation and Mechanical Extremes (CMIME); Energy Frontier Research Center (EFRC) at Los Alamos National Laboratory under U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [2008LANL1026]; LANL-LDRD FX This work was supported as part of the Center for Materials at Irradiation and Mechanical Extremes (CMIME), an Energy Frontier Research Center (EFRC) at Los Alamos National Laboratory under Award No. 2008LANL1026 from the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. The ion implantation work was supported by LANL-LDRD. The authors would like to thank R.G. Hoagland for his valuable insights and many helpful discussions. The authors also gratefully acknowledge technical assistance from J.K. Baldwin, P.O. Dickerson, and I. Usov. NR 24 TC 17 Z9 17 U1 3 U2 50 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 1431-9276 J9 MICROSC MICROANAL JI Microsc. microanal. PD FEB PY 2012 VL 18 IS 1 BP 152 EP 161 DI 10.1017/S1431927611012219 PG 10 WC Materials Science, Multidisciplinary; Microscopy SC Materials Science; Microscopy GA 885CW UT WOS:000299757100015 PM 22258724 ER PT J AU Rostamian, M Potirniche, GP Cogliati, JJ Ougouag, A Tokuhiro, A AF Rostamian, Maziar Potirniche, Gabriel P. Cogliati, Joshua J. Ougouag, Abderrafi Tokuhiro, Akira TI Computational prediction of dust production in pebble bed reactors SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article ID GRADE ISOTROPIC GRAPHITE; BEHAVIOR; MODULUS; TENSILE AB This paper describes the computational modeling and simulation of graphite pebbles in frictional contacts as anticipated in a pebble bed reactor. For the high temperature gas-cooled reactor, the potential dust generation from frictional contact at the surface of pebbles and the subsequent lift-off and transport of dust and absorbed fission products are of safety concern at elevated temperatures under an air ingress accident. The aim of this work is to perform a computational study to estimate the quantity of the nuclear grade graphite dust produces from a typical anticipated configuration. (C) 2011 Elsevier B.V. All rights reserved. C1 [Rostamian, Maziar; Potirniche, Gabriel P.; Tokuhiro, Akira] Univ Idaho, Dept Mech Engn, Idaho Falls, ID 83401 USA. [Cogliati, Joshua J.; Ougouag, Abderrafi] Idaho Natl Lab, Idaho Falls, ID 83401 USA. RP Rostamian, M (reprint author), Univ Idaho, Dept Mech Engn, 1776 Sci Ctr Dr, Idaho Falls, ID 83401 USA. EM mrostamian@asme.org OI Ougouag, Abderrafi/0000-0003-4436-380X FU DOE [NEUP09-151] FX The lead author wishes to thank his colleague Shams Arifeen for providing guidance in the beginning phase of the study. Also at the University of Idaho the following people were of continuous assistance: G. Johnson, A. Abdelnabi, Sh. Arifeen, B. Riga and K. Rink. We express our gratitude to DOE, under NEUP09-151, "The Experimental Study and Computational Simulations of Key Pebble Bed Thermomechanics Issues for Design and Safety" for providing financial support for this study. NR 22 TC 15 Z9 16 U1 0 U2 4 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 J9 NUCL ENG DES JI Nucl. Eng. Des. PD FEB PY 2012 VL 243 BP 33 EP 40 DI 10.1016/j.nucengdes.2011.12.011 PG 8 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 902KF UT WOS:000301036300004 ER PT J AU Lomperski, S Farmer, MT AF Lomperski, S. Farmer, M. T. TI Performance testing of engineered corium cooling systems SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article ID CORE CATCHER; WATER; COOLABILITY; INJECTION; RETENTION AB The coolability of ex-vessel core debris continues to be an issue of concern in the realm of light water reactor safety. Extensive research into corium/concrete interaction phenomena has been unable to establish the certainty of melt quench and stabilization within the containment boundary for all credible cases of cooling restricted to top flooding. As a result, there has been continuing interest in engineered systems that can augment cooling. This paper describes the testing of two passive cooling concepts that inject water into corium from below via nozzles embedded within the basemat: one with porous concrete nozzles and the other with a type of composite nozzle. The latter supplements water injection with noncondensable gas to stabilize flow and suppress vapor explosions. Each test involved a 136 kg melt composed of 56/23/14 wt% UO2/ZrO2/siliceous concrete at an initial depth of 30 cm. The setup with the porous concrete nozzles successfully injected water into the melt at heads as low as 2.3 m. The composite nozzle test was partially successful, with three nozzles delivering coolant while a fourth was damaged by the melt and failed to inject water. The melts cooled twice as fast as similar ones tested in a top flooding configuration. These experiments confirmed earlier work at Forschungszentrum Karlsruhe and elsewhere indicating that cooling via bottom water injection is a particularly effective method for quenching ex-vessel corium melts. (C) 2011 Elsevier B.V. All rights reserved. C1 [Lomperski, S.; Farmer, M. T.] Argonne Natl Lab, Argonne, IL 60439 USA. RP Lomperski, S (reprint author), Argonne Natl Lab, 9700 S Cass Ave, Argonne, IL 60439 USA. EM lomperski@anl.gov FU Nuclear Energy Agency, Organization for Economic Cooperation and Development (NEA/OECD); U.S. Department of Energy Office of Science laboratory [DE-AC02-06CH11357] FX The authors are grateful for the financial support of the countries participating in the joint cooperative MCCI Project run under the auspices of the Nuclear Energy Agency, Organization for Economic Cooperation and Development (NEA/OECD).; The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory ("Argonne"). Argonne, a U.S. Department of Energy Office of Science laboratory, is operated under Contract No. DE-AC02-06CH11357. The U.S. Government retains for itself, and others acting on its behalf, a paid-up nonexclusive, irrevocable world-wide license in said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the Government. NR 16 TC 4 Z9 4 U1 0 U2 4 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 J9 NUCL ENG DES JI Nucl. Eng. Des. PD FEB PY 2012 VL 243 BP 311 EP 320 DI 10.1016/j.nucengdes.2011.11.010 PG 10 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 902KF UT WOS:000301036300032 ER PT J AU Girault, N Bosland, L Dickinson, S Funke, F Guntay, S Herranz, LE Powers, D AF Girault, N. Bosland, L. Dickinson, S. Funke, F. Guentay, S. Herranz, L. E. Powers, D. TI LWR severe accident simulation: Iodine behaviour in FPT2 experiment and advances on containment iodine chemistry SO NUCLEAR ENGINEERING AND DESIGN LA English DT Article ID REACTOR SEVERE ACCIDENT; PROJECT RADIOLYTIC OXIDATION; FISSION-PRODUCT TRANSPORT; PHEBUS-FP; ION ADSORPTION; MOLECULAR-IODINE; BORON ADSORPTION; GOETHITE SURFACE; LESSONS LEARNT; MODEL AB The Phebus Fission Product (FP) Program studies key phenomena of severe accidents in water-cooled nuclear reactors. In the framework of the Phebus program, five in-pile experiments have been performed that cover fuel rod degradation and behaviour of fission products released via the coolant circuit into the containment vessel. The focus of this paper is on iodine behaviour during the Phebus FPT2 test. FPT2 used a 33 GWd/t uranium dioxide fuel enriched to 4.5%, re-irradiated in situ for 7 days to a burn-up of 130 MWd/t. This test was performed to study the impact of steam-poor conditions and boric acid on the fission product chemistry. For the containment vessel, more specifically, the objective was to study iodine chemistry in an alkaline sump under evaporating conditions. The iodine results of the Phebus FPT2 test confirmed many of the essential features of iodine behaviour in the containment vessel provided by the first two Phebus tests, FPTO and FPT1. These are the existence of an early gaseous iodine fraction, the persistence of low gaseous iodine concentrations and the importance of the sump in suppressing the iodine partitioning from sump to atmosphere. The main new insights provided by the Phebus FPT2 test were the iodine desorption from stainless steel walls deposits and the role of the evaporating sump in further iodine depletion in the containment atmosphere. The current paper presents an interpretation of the iodine behaviour in the FPT2 containment vessel based on dedicated small-scale analytical experiments and computer codes calculations. Other investigations dealing with primary circuit and sump chemistry are also reported. These could help to scale the results of Phebus-FP tests to reactor accidents. Modelling studies were generally successful when a gaseous iodine injection from the primary circuit was assumed. Indeed, though each of the iodine codes has specific iodine chemistry features that should be further developed and each approach to the modelling is distinct, the overall iodine behaviour in the FPT2 containment is generally well reproduced by the models that predict: a low final gaseous iodine concentration in the containment atmosphere, a predominant iodine concentration in the sump and to a lesser extent a significant iodine deposition on containment surfaces. The main code-to-code differences, in the results obtained in gaseous iodine speciation, come from the various treatments of gaseous radiolytic reactions. Calculations that include the radiolytic conversion of volatile iodine into iodine oxide particulate show there is a persistence of both gaseous iodine and iodine oxide particles in the atmosphere. There are also some variations between the predicted organic iodine concentrations that depend mainly on the initial assumptions. A key aspect of the Phebus FPT2 test interpretation is that the long term iodine behaviour in the containment can be explained by exchanges between organic iodide released from painted surfaces and inorganic iodine released from deposited aerosol on the containment walls. Further studies of regulatory significance on sump chemistry showed that the gaseous iodine control that was evident in the Phebus tests through silver release and/or alkaline buffered sump solutions may not be assured. As most of the past iodine aqueous chemistry studies were done with rather pure systems and because of the uncompleted understanding of the gaseous iodine speciation, the results may not be extrapolated easily to conditions of reactor accidents thus necessitating deeper investigations. (C) 2011 Elsevier B.V. All rights reserved. C1 [Girault, N.; Bosland, L.] IRSN, F-13115 St Paul Les Durance, France. [Dickinson, S.] Natl Nucl Lab, Harwell OX11 0QT, Oxon, England. [Funke, F.] AREVA NP Gmbh, D-91001 Erlangen, Germany. [Guentay, S.] Paul Scherrer Inst, CH-5232 Villigen, Switzerland. [Herranz, L. E.] Ctr Invest Energet MedioAmbiantales & Tecnol, Madrid 28040, Spain. [Powers, D.] Sandia Natl Labs, Albuquerque, NM 87185 USA. RP Girault, N (reprint author), IRSN, BP3, F-13115 St Paul Les Durance, France. EM nathalie.girault@irsn.fr RI BOSLAND, Loic/J-5858-2016 OI BOSLAND, Loic/0000-0002-5235-2740 FU European Community FX The work performed within the Phebus and SARNET Interpretation Circles, both dedicated to containment chemistry studies, greatly benefited from the funding and technical contribution of the European Community. A great number of organizations and research institutes, including power suppliers, also contributed to this work. People who helped the performance and completion of the Phebus FPT2 test as well as of the complementary analytical programs are especially thanked. NR 98 TC 7 Z9 7 U1 2 U2 14 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 0029-5493 J9 NUCL ENG DES JI Nucl. Eng. Des. PD FEB PY 2012 VL 243 BP 371 EP 392 DI 10.1016/j.nucengdes.2011.11.011 PG 22 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 902KF UT WOS:000301036300038 ER PT J AU Budny, RV Berry, L Bilato, R Bonoli, P Brambilla, M Dumont, RJ Fukuyama, A Harvey, R Jaeger, EF Indireshkumar, K Lerche, E McCune, D Phillips, CK Vdovin, V Wright, J AF Budny, R. V. Berry, L. Bilato, R. Bonoli, P. Brambilla, M. Dumont, R. J. Fukuyama, A. Harvey, R. Jaeger, E. F. Indireshkumar, K. Lerche, E. McCune, D. Phillips, C. K. Vdovin, V. Wright, J. CA ITPA-IOS TI Benchmarking ICRF full-wave solvers for ITER SO NUCLEAR FUSION LA English DT Article ID TOKAMAK PLASMAS; CURRENT DRIVE; STEADY-STATE; PROPAGATION; SIMULATION; EFFICIENCY AB Benchmarking full-wave solvers for ion-cyclotron range of frequency (ICRF) simulations is performed using plasma profiles and equilibria obtained from integrated self-consistent modelling predictions of four ITER plasmas. One is for a high-performance baseline (5.3 T, 15 MA) DT H-mode. The others are for half-field, half-current plasmas of interest for the pre-activation phase with bulk plasma ion species being either hydrogen or He-4. The predicted profiles are used by six full-wave solver groups to simulate the ICRF electromagnetic fields and heating, and by three of these groups to simulate the current drive. Approximate agreement is achieved by four of the solvers for the heating power partitions for the DT and He-4 cases. Factor of two or more disagreements are found for the heating power partitions for the cases with second harmonic He-3 heating in bulk H cases. Approximate agreement is achieved simulating the ICRF current-drive 1D profiles. C1 [Budny, R. V.; Indireshkumar, K.; McCune, D.; Phillips, C. K.] PPPL, Princeton, NJ 08543 USA. [Berry, L.] ORNL, Oak Ridge, TN 37831 USA. [Bilato, R.; Brambilla, M.] EURATOM, Max Planck Inst Plasmaphys, D-85748 Garching, Germany. [Bonoli, P.; Wright, J.] MIT, Plasma Sci & Fus Ctr, Cambridge, MA 02139 USA. [Dumont, R. J.] CEA, IRFM, F-13108 St Paul Les Durance, France. [Fukuyama, A.] Kyoto Univ, Dept Nucl Engn, Kyoto 6068501, Japan. [Harvey, R.] CompX, Del Mar, CA 92014 USA. [Jaeger, E. F.] XCEL Engn Inc, Oak Ridge, TN 37830 USA. [Lerche, E.] TEC Partner, LPP ERM KMS, Assoc Euratom Belgian State, Brussels, Belgium. RP Budny, RV (reprint author), PPPL, POB 451, Princeton, NJ 08543 USA. EM budny@princeton.edu RI Dumont, Remi/D-3840-2009 FU US DoE [DE-ACO2-76-CHO3073] FX The authors wish to thank P. Lamalle, A. Polevoi and J. Snipes for helpful suggestions and comments. This work is supported in part by the US DoE Contract No DE-ACO2-76-CHO3073. NR 38 TC 23 Z9 23 U1 0 U2 6 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD FEB PY 2012 VL 52 IS 2 AR 023023 DI 10.1088/0029-5515/52/2/023023 PG 18 WC Physics, Fluids & Plasmas SC Physics GA 899DH UT WOS:000300794500023 ER PT J AU Park, JK Menard, JE Gerhardt, SP Buttery, RJ Sabbagh, SA Bell, RE LeBlanc, BP AF Park, Jong-Kyu Menard, Jonathan E. Gerhardt, Stefan P. Buttery, Richard J. Sabbagh, Steve A. Bell, Ronald E. LeBlanc, Benoit P. TI Sensitivity to error fields in NSTX high beta plasmas SO NUCLEAR FUSION LA English DT Article ID RESONANT MAGNETIC PERTURBATIONS; SPHERICAL-TORUS-EXPERIMENT; WALL MODE STABILIZATION; DIII-D; TOKAMAK; JET AB It was found that error field threshold decreases for high beta in NSTX, although the density correlation in conventional threshold scaling implies the threshold would increase since higher beta plasmas in our study have higher plasma density. This greater sensitivity to error field in higher beta plasmas is due to error field amplification by plasmas. When the effect of amplification is included with ideal plasma response calculations, the conventional density correlation can be restored and threshold scaling becomes more consistent with low beta plasmas. However, it was also found that the threshold can be significantly changed depending on plasma rotation. When plasma rotation was reduced by non-resonant magnetic braking, the further increase in sensitivity to error field was observed. C1 [Park, Jong-Kyu; Menard, Jonathan E.; Gerhardt, Stefan P.; Bell, Ronald E.; LeBlanc, Benoit P.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Buttery, Richard J.] Gen Atom Co, San Diego, CA 92186 USA. [Sabbagh, Steve A.] Columbia Univ, Dept Appl Phys & Appl Math, New York, NY 10027 USA. RP Park, JK (reprint author), Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. OI Menard, Jonathan/0000-0003-1292-3286 FU DOE [DE-AC02-76CH03073, DE-FC02-04ER54698, DE-FG02-03ERS496] FX This work was supported by DOE contract DE-AC02-76CH03073 (PPPL), DE-FC02-04ER54698 (GA) and DE-FG02-03ERS496 (CU). NR 26 TC 6 Z9 6 U1 1 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0029-5515 EI 1741-4326 J9 NUCL FUSION JI Nucl. Fusion PD FEB PY 2012 VL 52 IS 2 AR 023004 DI 10.1088/0029-5515/52/2/023004 PG 7 WC Physics, Fluids & Plasmas SC Physics GA 899DH UT WOS:000300794500004 ER PT J AU Schmitz, L Holland, C Rhodes, TL Wang, G Zeng, L White, AE Hillesheim, JC Peebles, WA Smith, SP Prater, R McKee, GR Yan, Z Solomon, WM Burrell, KH Holcomb, CT Doyle, EJ DeBoo, JC Austin, ME deGrassie, JS Petty, CC AF Schmitz, L. Holland, C. Rhodes, T. L. Wang, G. Zeng, L. White, A. E. Hillesheim, J. C. Peebles, W. A. Smith, S. P. Prater, R. McKee, G. R. Yan, Z. Solomon, W. M. Burrell, K. H. Holcomb, C. T. Doyle, E. J. DeBoo, J. C. Austin, M. E. deGrassie, J. S. Petty, C. C. TI Reduced electron thermal transport in low collisionality H-mode plasmas in DIII-D and the importance of TEM/ETG-scale turbulence SO NUCLEAR FUSION LA English DT Article ID TEMPERATURE-GRADIENT TURBULENCE; DOUBLE-BARRIER REGIME; T-E/T-I; D TOKAMAK; TORE-SUPRA; ION; HEAT; FLUCTUATIONS; CONFINEMENT; SIMULATIONS AB The first systematic investigation of core electron thermal transport and the role of local ion temperature gradient/trapped electron mode/electron temperature gradient (ITG/TEM/ETG)-scale core turbulence is performed in high temperature, low collisionality H-mode plasmas in the DIII-D tokamak. Wavenumber spectra of L-mode and H-mode density turbulence are measured by Doppler backscattering. H-mode wavenumber spectra are directly contrasted for the first time with nonlinear gyrokinetic simulation results. Core ITG/TEM-scale turbulence is substantially reduced/suppressed by E x B shear promptly after the L-H transition, resulting in reduced electron thermal transport across the entire minor radius. For small k(theta)rho(s), both experiment and nonlinear gyrokinetic simulations using the GYRO code show density fluctuation levels increasing with k(theta)rho(s) in H-mode (r/a = 0.6), in contrast to ITG/TEM-dominated L-mode plasmas. GYRO simulations also indicate that a significant portion of the remaining H-mode electron heat flux results directly from residual intermediate/short-scale TEM/ETG turbulence. Electron transport at substantially increased electron-to-ion temperature ratio (T-e/T-i >= 1, r/a <= 0.35) has been investigated in ECH-assisted, quiescent H-mode plasmas. A synergistic increase in core electron and ion thermal diffusivity (normalized to the gyro-Bohm diffusivity) is found with applied ECH. From linear stability analysis, the TEM mode is expected to become the dominant linear instability with ECH due to increased electron-to-ion temperature ratio and a reduction in the ion temperature gradient. This is consistent with increased electron temperature fluctuations and core electron thermal diffusivity observed experimentally. The reduced ion temperature gradient likely results from a reduction in the ITG critical gradient due to increased Te/Ti and reduced E x B shear. These studies are performed at collisonality (nu*(e) similar to 0.05, r/a <= 0.6) and address transport in electron heat-dominated regimes, thought to be important in ITER due to a-particle heating. C1 [Schmitz, L.; Rhodes, T. L.; Wang, G.; Zeng, L.; Hillesheim, J. C.; Peebles, W. A.; Doyle, E. J.] Univ Calif Los Angeles, Los Angeles, CA 90095 USA. [Holland, C.] Univ Calif San Diego, La Jolla, CA 92093 USA. [White, A. E.] MIT, Cambridge, MA 02139 USA. [Smith, S. P.; Prater, R.; Burrell, K. H.; DeBoo, J. C.; deGrassie, J. S.; Petty, C. C.] Gen Atom Co, San Diego, CA 92186 USA. [McKee, G. R.; Yan, Z.] Univ Wisconsin, Madison, WI 53706 USA. [Solomon, W. M.] Princeton Plasma Phys Lab, Princeton, NJ 08543 USA. [Holcomb, C. T.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Austin, M. E.] Univ Texas Austin, Austin, TX 78712 USA. RP Schmitz, L (reprint author), Univ Calif Los Angeles, Los Angeles, CA 90095 USA. EM lschmitz@ucla.edu OI Solomon, Wayne/0000-0002-0902-9876 FU US Department of Energy [DE-FG02-08ER54984, DE-FG02-07ER54917, DE-FC02-93ER54186, DE-FC02-04ER54698, DE-FG02-89ER53296, DE-FG02-08ER54999, DE-AC02-09CH1146, DE-AC52-07NA27344, DE-FG03-97ER54415, DE-AC05-00OR22725] FX This work was supported in part by the US Department of Energy under DE-FG02-08ER54984, DE-FG02-07ER54917, DE-FC02-93ER54186, DE-FC02-04ER54698, DE-FG02-89ER53296, DE-FG02-08ER54999, DE-AC02-09CH1146, DE-AC52-07NA27344 and DE-FG03-97ER54415. This research used resources of the Oak Ridge Leadership Computing Facility at Oak Ridge National Laboratory, which is supported by the US Department of Energy under DE-AC05-00OR22725. NR 45 TC 17 Z9 17 U1 0 U2 15 PU INT ATOMIC ENERGY AGENCY PI VIENNA PA WAGRAMERSTRASSE 5, PO BOX 100, A-1400 VIENNA, AUSTRIA SN 0029-5515 J9 NUCL FUSION JI Nucl. Fusion PD FEB PY 2012 VL 52 IS 2 AR 023003 DI 10.1088/0029-5515/52/2/023003 PG 15 WC Physics, Fluids & Plasmas SC Physics GA 899DH UT WOS:000300794500003 ER PT J AU Thomas, PD Wood, V Mungall, CJ Lewis, SE Blake, JA AF Thomas, Paul D. Wood, Valerie Mungall, Christopher J. Lewis, Suzanna E. Blake, Judith A. CA Gene Ontology Consortium TI On the Use of Gene Ontology Annotations to Assess Functional Similarity among Orthologs and Paralogs: A Short Report SO PLOS COMPUTATIONAL BIOLOGY LA English DT Article ID RESOURCE; DATABASE; MOUSE AB A recent paper (Nehrt et al., PLoS Comput. Biol. 7:e1002073, 2011) has proposed a metric for the "functional similarity'' between two genes that uses only the Gene Ontology (GO) annotations directly derived from published experimental results. Applying this metric, the authors concluded that paralogous genes within the mouse genome or the human genome are more functionally similar on average than orthologous genes between these genomes, an unexpected result with broad implications if true. We suggest, based on both theoretical and empirical considerations, that this proposed metric should not be interpreted as a functional similarity, and therefore cannot be used to support any conclusions about the "ortholog conjecture'' (or, more properly, the "ortholog functional conservation hypothesis''). First, we reexamine the case studies presented by Nehrt et al. as examples of orthologs with divergent functions, and come to a very different conclusion: they actually exemplify how GO annotations for orthologous genes provide complementary information about conserved biological functions. We then show that there is a global ascertainment bias in the experiment-based GO annotations for human and mouse genes: particular types of experiments tend to be performed in different model organisms. We conclude that the reported statistical differences in annotations between pairs of orthologous genes do not reflect differences in biological function, but rather complementarity in experimental approaches. Our results underscore two general considerations for researchers proposing novel types of analysis based on the GO: 1) that GO annotations are often incomplete, potentially in a biased manner, and subject to an "open world assumption'' (absence of an annotation does not imply absence of a function), and 2) that conclusions drawn from a novel, large-scale GO analysis should whenever possible be supported by careful, in-depth examination of examples, to help ensure the conclusions have a justifiable biological basis. C1 [Thomas, Paul D.] Univ So Calif, Dept Prevent Med, Div Bioinformat, Los Angeles, CA 90089 USA. [Wood, Valerie] Univ Cambridge, Cambridge Syst Biol Ctr, Cambridge, England. [Wood, Valerie] Univ Cambridge, Dept Biochem, Cambridge CB2 1QW, England. [Mungall, Christopher J.; Lewis, Suzanna E.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Genom Div, Berkeley, CA 94720 USA. [Blake, Judith A.] Jackson Lab, Bar Harbor, ME 04609 USA. RP Thomas, PD (reprint author), Univ So Calif, Dept Prevent Med, Div Bioinformat, Los Angeles, CA 90089 USA. EM go-discuss@lists.stanford.edu OI Wood, Valerie/0000-0001-6330-7526; Lewis, Suzanna/0000-0002-8343-612X; Blake, Judith/0000-0001-8522-334X FU National Institutes of Health [P41 HG002273, R01 GM081084] FX This work was funded by grants from the National Institutes of Health, P41 HG002273 (to JAB and SEL) and R01 GM081084 (to PDT). The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. NR 18 TC 31 Z9 31 U1 0 U2 5 PU PUBLIC LIBRARY SCIENCE PI SAN FRANCISCO PA 185 BERRY ST, STE 1300, SAN FRANCISCO, CA 94107 USA SN 1553-734X J9 PLOS COMPUT BIOL JI PLoS Comput. Biol. PD FEB PY 2012 VL 8 IS 2 AR e1002386 DI 10.1371/journal.pcbi.1002386 PG 7 WC Biochemical Research Methods; Mathematical & Computational Biology SC Biochemistry & Molecular Biology; Mathematical & Computational Biology GA 898HA UT WOS:000300729900028 PM 22359495 ER PT J AU He, F Zheng, W Liang, LY Gu, BH AF He, Feng Zheng, Wang Liang, Liyuan Gu, Baohua TI Mercury photolytic transformation affected by low-molecular-weight natural organics in water SO SCIENCE OF THE TOTAL ENVIRONMENT LA English DT Article DE Mercury; Photoreduction; Aromatic compounds; Ultra-violet (UV); Sunlight; Natural organic matter ID DISSOLVED GASEOUS MERCURY; AQUEOUS-SOLUTION; PHOTOCHEMICAL PRODUCTION; FRESH-WATER; SULFOSALICYLIC ACID; TEMPERATE LAKES; SALICYLIC-ACID; MATTER; REDUCTION; SURFACE AB Mechanisms by which dissolved organic matter (DOM) mediates the photochemical reduction of Hg(II) in aquatic ecosystems are not fully understood, owing to the heterogeneous nature and complex structural properties of DOM. In this work, naturally occurring aromatic compounds including salicylic, 4-hydrobenzoic, anthranilic, 4-aminobenzoic, and phthalic acid were systematically studied as surrogates for DOM in order to gain an improved mechanistic understanding of these compounds in the photoreduction of Hg(II) in water. We show that the photoreduction rates of Hg(II) are influenced not only by the substituent functional groups such as -OH, -NH2 and -COOH on the benzene ring, but also the positioning of these functional groups on the ring structure. The Hg(II) photoreduction rate decreases in the order anthranilic acid> salicylic acid> phthalic acid according to the presence of the -NH2, -OH, -COOH functional groups on benzoic acid. The substitution position of the functional groups affects reduction rates in the order anthranilic acid >4-aminobenzoic acid and salicylic acid >4-hydroxybenzoic acid. Reduction rates correlate strongly with ultraviolet (UV) absorption of these compounds and their concentrations, suggesting that the formation of organic free radicals during photolysis of these compounds is responsible for Hg(II) photoreduction. These results provide insight into the role of low-molecular-weight organic compounds and possibly DOM in Hg photoredox transformation and may thus have important implications for understanding Hg geochemical cycling in the environment. (C) 2011 Elsevier B.V. All rights reserved. C1 [He, Feng; Zheng, Wang; Liang, Liyuan; Gu, Baohua] Oak Ridge Natl Lab, Div Environm Sci, Oak Ridge, TN 37831 USA. RP He, F (reprint author), Oak Ridge Natl Lab, Div Environm Sci, POB 2008, Oak Ridge, TN 37831 USA. EM hef2@ornl.gov; gub1@ornl.gov RI He, Feng/B-9444-2012; Gu, Baohua/B-9511-2012; Liang, Liyuan/O-7213-2014 OI He, Feng/0000-0001-5702-4511; Gu, Baohua/0000-0002-7299-2956; Liang, Liyuan/0000-0003-1338-0324 FU Office of the Biological and Environmental Research, Office of Science, U.S. Department of Energy (DOE) as part of the Mercury Science Focus Area (SFA) at Oak Ridge National Laboratory (ORNL); DOE [DE-AC05-00OR22725] FX This research was supported by the Office of the Biological and Environmental Research, Office of Science, U.S. Department of Energy (DOE) as part of the Mercury Science Focus Area (SFA) Program at Oak Ridge National Laboratory (ORNL), which is managed by UT-Battelle LLC for the DOE under contract DE-AC05-00OR22725. NR 43 TC 10 Z9 10 U1 3 U2 73 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 FEB 1 PY 2012 VL 416 BP 429 EP 435 DI 10.1016/j.scitotenv.2011.11.081 PG 7 WC Environmental Sciences SC Environmental Sciences & Ecology GA 903XE UT WOS:000301155200048 PM 22225824 ER PT J AU Haggui, M Dridi, M Plain, J Marguet, S Perez, H Schatz, GC Wiederrecht, GP Gray, SK Bachelot, R AF Haggui, Mohamed Dridi, Montacer Plain, Jerome Marguet, Sylvie Perez, Henri Schatz, George C. Wiederrecht, Gary P. Gray, Stephen K. Bachelot, Renaud TI Spatial Confinement of Electromagnetic Hot and Cold Spots in Gold Nanocubes SO ACS NANO LA English DT Article DE plasmon; gold; nanocubes; photoisomerization; near-field photochemical imaging; near-field depolarization; azobenzene; electromagnetic hot spot; electromagnetic cold spots ID NOBLE-METAL NANOPARTICLES; SELF-ASSEMBLED MONOLAYERS; SINGLE SILVER NANOCUBES; NEAR-FIELD; SURFACE-PLASMONS; MOLECULAR-MOTION; NANOSTRUCTURES; SPECTROSCOPY; PHOTOLUMINESCENCE; LITHOGRAPHY AB We report a near-field imaging study of colloidal gold nanocubes. This is accomplished through a photochemical imaging method in which molecular displacements are vectorial in nature, enabling sensitivity to the polarization of the optical near-field of the nanocubes. We analyze the confinement of both electromagnetic hot and "cold" spots with a resolution of lambda/35 and emphasize the particularly high spatial confinement of cold spots. The concept of a cold spot complements the well-known electromagnetic hot spot but can have significant advantages. The application of the ultraconfined cold spots to high resolution Imaging and spectroscopy is discussed. C1 [Haggui, Mohamed; Plain, Jerome; Bachelot, Renaud] Univ Technol Troyes, LNIO, CNRS, UMR 6279, Troyes, France. [Dridi, Montacer; Schatz, George C.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Marguet, Sylvie; Perez, Henri] CNRS CEA, IRAMIS, SPAM, Lab Francis Perrin,URA2453, F-91191 Gif Sur Yvette, France. [Wiederrecht, Gary P.; Gray, Stephen K.] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA. RP Bachelot, R (reprint author), Univ Technol Troyes, LNIO, CNRS, UMR 6279, Troyes, France. EM renaud.bachelot@utt.fr RI Plain, Jerome/A-2888-2009; MARGUET, Sylvie/K-2750-2012; Bachelot, Renaud/M-6888-2015 OI MARGUET, Sylvie/0000-0002-8670-1320; FU Partner University Funds [PUF2010]; NSF MRSEC [DMR-1121262]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357]; European community; HYN-NOV; NANO'MAT FX This work was supported by the Partner University Funds program (PUF2010). M.D. and G.C.S. were supported by the NSF MRSEC grant (DMR-1121262). Use of the Center for Nanoscale Materials (S.K.G., G.P.W.) was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. We thank the TEM team platform, DSV, CEA-Saclay. This work was also supported by the European community FEDER fund and the Region Champagne-Ardenne: Grants HYN-NOV and NANO'MAT (www.nanomat.eu). NR 52 TC 38 Z9 38 U1 10 U2 74 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 FEB PY 2012 VL 6 IS 2 BP 1299 EP 1307 DI 10.1021/nn2040389 PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 898QW UT WOS:000300757900037 PM 22280022 ER PT J AU Liu, XH Zhong, L Huang, S Mao, SX Zhu, T Huang, JY AF Liu, Xiao Hua Zhong, Li Huang, Shan Mao, Scott X. Zhu, Ting Huang, Jian Yu TI Size-Dependent Fracture of Silicon Nanoparticles During Lithiation SO ACS NANO LA English DT Article DE Si nanoparticle; lithium ion battery; fracture; surface crack; size dependence; in situ TEM ID TRANSMISSION ELECTRON-MICROSCOPY; LITHIUM-ION BATTERIES; LONG CYCLE LIFE; ELECTROCHEMICAL LITHIATION; THIN-FILMS; ANODES; NANOWIRES; DELITHIATION; EVOLUTION; DEFORMATION AB Lithiation of individual silicon nanopartides was studied in real time with in situ transmission electron microscopy. A strong size dependence of fracture was discovered; that Is, there exists a critical particle diameter of similar to 150 nm, below which the particles neither cracked nor fractured upon first lithiation, and above which the particles initially formed surface cracks and then fractured due to lithiation-induced swelling. The unexpected surface cracking arose owing to the buildup of large tensile hoop stress, which reversed the initial compression, in the surface layer. The stress reversal was attributed to the unique mechanism of lithiation in crystalline Si, taking place by movement of a two-phase boundary between the inner core of pristine Si and the outer shell of amorphous Li-Si alloy. While the resulting hoop tension tended to initiate surface cracks, the small-sized nanoparticles nevertheless averted fracture. This is because the stored strain energy from electrochemical reactions was insufficient to drive crack propagation, as dictated by the interplay between the two length scales, that is, particle diameter and crack size, that control the fracture. These results are diametrically opposite to those obtained previously from single-phase modeling, which predicted only compressive hoop stress In the surface layer and thus crack initiation from the center in lithiated Si particles and wires. Our work provides direct evidence of the mechanical robustness of small Si nanoparticles for applications in lithium ion batteries. C1 [Huang, Shan; Zhu, Ting] Georgia Inst Technol, Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. [Liu, Xiao Hua; Huang, Jian Yu] Sandia Natl Labs, Ctr Integrated Nanotechnol CINT, Albuquerque, NM 87185 USA. [Zhong, Li; Mao, Scott X.] Univ Pittsburgh, Dept Mech Engn & Mat Sci, Pittsburgh, PA 15261 USA. RP Zhu, T (reprint author), Georgia Inst Technol, Woodruff Sch Mech Engn, Atlanta, GA 30332 USA. EM ting.zhu@me.gatech.edu; jhuang@sandia.gov RI Liu, Xiaohua/A-8752-2011; Huang, Jianyu/C-5183-2008; Zhu, Ting/A-2206-2009; Zhong, Li/I-3714-2014 OI Liu, Xiaohua/0000-0002-7300-7145; FU Laboratory Directed Research and Development (LDRD); Sandia National Laboratories (SNL); Science of Precision Multifunctional Nanostructures for Electrical Energy Storage (NEES); Energy Frontier Research Center (EFRC); U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DESC0001160]; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000]; NSF [CMMI-0758554, 1100205] FX Portions of this work were supported by a Laboratory Directed Research and Development (LDRD) project at Sandia National Laboratories (SNL) and partly by the Science of Precision Multifunctional Nanostructures for Electrical Energy Storage (NEES), an Energy Frontier Research Center (EFRC) funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DESC0001160. The LDRD supported the development and fabrication of platforms. The NEES center supported the development of TEM techniques. CINT supported the TEM capability; in addition, this work represents the efforts of several CINT users, primarily those with affiliation external to Sandia National Laboratories. This work was performed, in part, at the Sandia-Los Alamos Center for Integrated Nanotechnologies (CINT), a U.S. Department of Energy, Office of Basic Energy Sciences user facility. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. T.Z. acknowledges the support by NSF Grants CMMI-0758554 and 1100205. NR 42 TC 466 Z9 474 U1 81 U2 578 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 FEB PY 2012 VL 6 IS 2 BP 1522 EP 1531 DI 10.1021/nn204476h PG 10 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 898QW UT WOS:000300757900062 PM 22217200 ER PT J AU Goertz, MP Marks, LE Montano, GA AF Goertz, Matthew P. Marks, Lauryn E. Montano, Gabriel A. TI Biomimetic Mono layer and Bilayer Membranes Made From Amphiphilic Block Copolymer Micelles SO ACS NANO LA English DT Article DE polymer adsorption; biomimetic membranes; self-assembly; block copolymers; micelles; surfactants ID QUARTZ-CRYSTAL MICROBALANCE; LIPID-BILAYERS; PHOSPHOLIPID-BILAYERS; SUPPORTED BILAYER; ADSORPTION; SURFACE; DIFFUSION; POLYMERSOMES; CHOLESTEROL; REFLECTION AB The deposition of amphiphilic poly(ethylene oxide)-block-poly(butadiene) (PEO-b-PBD) copolymer micelles is demonstrated on solid substrates. Depending upon surface chemistry, micelle adsorption creates either monolayer or bilayer films. Lateral diffusion measurements reveal that strong coupling between hydrophilic surfaces and PEO blocks creates immobile bilayers, while monolayers retain the fluidity previously observed in vesicular assemblies. C1 [Goertz, Matthew P.; Marks, Lauryn E.; Montano, Gabriel A.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. RP Goertz, MP (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, POB 1663, Los Alamos, NM 87545 USA. EM mgoertz@lanl.gov; gbmon@lanl.gov FU U.S. Department of Energy [DE-AC52-06NA25396] FX This work was performed, in part, at the Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility. Los Alamos National Laboratory, an affirmative action equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-06NA25396. NR 40 TC 13 Z9 13 U1 2 U2 36 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD FEB PY 2012 VL 6 IS 2 BP 1532 EP 1540 DI 10.1021/nn204491q PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 898QW UT WOS:000300757900063 PM 22251101 ER PT J AU Patel, SN Javier, AE Stone, GM Mullin, SA Balsara, NP AF Patel, Shrayesh N. Javier, Anna E. Stone, Greg M. Mullin, Scott A. Balsara, Nitash P. TI Simultaneous Conduction of Electronic Charge and Lithium Ions in Block Copolymers SO ACS NANO LA English DT Article DE block copolymers; conducting polymers; mixed conductors; ac impedance; electronic conductivity; ionic conductivity ID FIELD-EFFECT TRANSISTORS; REGIOREGULAR POLY(3-HEXYLTHIOPHENE); MIXED CONDUCTORS; MOLECULAR-WEIGHT; ELECTRICAL-CONDUCTIVITY; POLYMER ELECTROLYTES; OXYGEN ELECTRODES; TRANSPORT; POLYTHIOPHENE; MORPHOLOGY AB The main objective of this work is to study charge transport in mixtures of poly(3-hexylthiophene)-b-poly(ethylene oxide) (P3HT-PEO) block copolymers and lithium bis-(trifluoromethanesulfonyl) imide salt (LiTFSI). The P3HT-rich microphase conducts electronic charge, while the PEO-rich microphase conducts ionic charge. The nearly symmetric P3HT-PEO copolymer used in this study self-assembles into a lamellar phase. In contrast, the morphologies of asymmetric copolymers with P3HT as the major component are dominated by nanofibrils. A combination of ac and dc impedance measurements was used to determine the electronic and ionic conductivities of our samples. The ionic conductivities of P3HT-PEO/LiTFSI mixtures are lower than those of mixtures of PEO homopolymer and LITFSI, in agreement with published data obtained from other block copolymer/salt mixtures. In contrast, the electronic conductivities of the asymmetric P3HT PEO copolymers are significantly higher than those of the P3HT homopolymer. This is unexpected because of the presence of the nonelectronically conducting PEO microphase. This implies that the Intrinsic electronic conductivity of the P3HT microphase in P3HT PEO copolymers is significantly higher than that of P3HT homopolymers. C1 [Patel, Shrayesh N.; Javier, Anna E.; Mullin, Scott A.; Balsara, Nitash P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. [Patel, Shrayesh N.; Stone, Greg M.; Balsara, Nitash P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Patel, Shrayesh N.; Javier, Anna E.; Stone, Greg M.; Mullin, Scott A.; Balsara, Nitash P.] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. RP Balsara, NP (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Environm Energy Technol Div, Berkeley, CA 94720 USA. EM nbalsara@berkeley.edu FU National Science Foundation (CBET) [0966632]; BAIT program at Lawrence Berkeley National Laboratory; U.S. DOE [DE-AC02-05CH11231] FX The measurement of electronic and ionic conductivities of the samples, which is the major portion of this work, was supported by a grant from the National Science Foundation (CBET 0966632). The polymer synthesis was supported the BAIT program at Lawrence Berkeley National Laboratory, U.S. DOE Contract No. DE-AC02-05CH11231. SAXS experiments were performed at the Advanced Light Source, LBNL, a DOE national user facility supported by the DOE under the same contract. We gratefully acknowledge A. Teran for providing the PEO conductivity data, and R. Segalman and M. Jeffries-EL for helpful discussions. NR 59 TC 40 Z9 40 U1 5 U2 112 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1936-0851 EI 1936-086X J9 ACS NANO JI ACS Nano PD FEB PY 2012 VL 6 IS 2 BP 1589 EP 1600 DI 10.1021/nn2045664 PG 12 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 898QW UT WOS:000300757900069 PM 22324447 ER PT J AU Oh, JE Clark, SM Wenk, HR Monteiro, PJM AF Oh, Jae Eun Clark, Simon M. Wenk, Hans-Rudolf Monteiro, Paulo J. M. TI Experimental determination of bulk modulus of 14 angstrom tobermorite using high pressure synchrotron X-ray diffraction SO CEMENT AND CONCRETE RESEARCH LA English DT Article DE C-S-H; X-ray diffraction; Elastic moduli; Mechanical properties; 14 angstrom tobermorite ID C-S-H; CALCIUM-SILICATE-HYDRATE; CRYSTAL-STRUCTURE; CEMENT; EQUATION; STATE; GELS AB Using a diamond anvil cell, 14 angstrom tobermorite, a structural analogue of calcium silicate hydrates (C-S-H), was examined by high-pressure synchrotron X-ray diffraction up to 4.8 GPa under hydrostatic conditions. The bulk modulus of 14 angstrom tobermorite was calculated, K-o = 47 GPa. Comparison of the current results with previous high pressure studies on C-S-H(I) indicates that: (1) the compression behavior of the lattice parameters a and b of 14 angstrom tobermorite and C-S-H(I) are very similar, implying that both materials may have very similar Ca-O layers, and also implying that an introduction of structural defects into the Ca-O layers may not substantially change in-plane incompressibility of the ab) plane of 14 angstrom tobermorite: and (2) the bulk modulus values of 14 angstrom tobermorite and C-S-H(I) are dominated by the incompressibility of the lattice parameter c, which is directly related to the interlayer spacing composed of dreierketten silicate chains, interlayer Ca, and water molecules. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Oh, Jae Eun; Monteiro, Paulo J. M.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Oh, Jae Eun] Ulsan Natl Inst Sci & Technol, Sch Urban & Environm Engn, Ulsan Metropolitan City 689798, South Korea. [Clark, Simon M.; Wenk, Hans-Rudolf] Macquarie Univ, Dept Earth & Planetary Sci, Sydney, NSW 2109, Australia. [Clark, Simon M.] Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA USA. RP Monteiro, PJM (reprint author), Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. EM monteiro@berkeley.edu OI Oh, Jae Eun/0000-0002-2318-3001 FU King Abdullah University of Science and Technology (KAUST) [KUS-l1-004021]; NIST [60NANB10D014]; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [DE-AC02-05CH11231] FX This publication was based on the work supported in part by Award No. KUS-l1-004021, made by King Abdullah University of Science and Technology (KAUST) and by NIST grant 60NANB10D014. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. The authors thank Dr. Anthony R. Kampf for providing the tobermorite used in this work. NR 33 TC 19 Z9 19 U1 2 U2 23 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0008-8846 J9 CEMENT CONCRETE RES JI Cem. Concr. Res. PD FEB PY 2012 VL 42 IS 2 BP 397 EP 403 DI 10.1016/j.cemconres.2011.11.004 PG 7 WC Construction & Building Technology; Materials Science, Multidisciplinary SC Construction & Building Technology; Materials Science GA 899JK UT WOS:000300812000018 ER PT J AU Scholz, MB Lo, CC Chain, PSG AF Scholz, Matthew B. Lo, Chien-Chi Chain, Patrick S. G. TI Next generation sequencing and bioinformatic bottlenecks: the current state of metagenomic data analysis SO CURRENT OPINION IN BIOTECHNOLOGY LA English DT Review ID SHORT READ ALIGNMENT; ANNOTATION PIPELINE; RIBOSOMAL-RNA; GENOME; TOOL; COMMUNITY; MICROBIOTA; ALGORITHM; SYSTEM; DNA AB The recent technological advances in next generation sequencing have brought the field closer to the goal of reconstructing all genomes within a community by presenting high throughput sequencing at much lower costs. While these next-generation sequencing technologies have allowed a massive increase in available raw sequence data, there are a number of new informatics challenges and difficulties that must be addressed to improve the current state, and fulfill the promise of, metagenomics. C1 [Scholz, Matthew B.; Lo, Chien-Chi; Chain, Patrick S. G.] Los Alamos Natl Lab, Genome Sci Grp, Los Alamos, NM 87545 USA. [Scholz, Matthew B.; Lo, Chien-Chi; Chain, Patrick S. G.] Joint Genome Inst, Microbial & Metagenome Program, Walnut Creek, CA 94598 USA. RP Chain, PSG (reprint author), Los Alamos Natl Lab, Genome Sci Grp, POB 1663, Los Alamos, NM 87545 USA. EM pchain@lanl.gov RI chain, patrick/B-9777-2013; OI Chain, Patrick/0000-0003-3949-3634 FU Laboratory-Directed Research and Development of Los Alamos National Laboratory [20100034DR]; U.S. Department of Energy Joint Genome Institute through the Office of Science of the U.S. Department of Energy [DE-AC02-05CH11231]; U.S. Defense Threat Reduction Agency [B1041531, B0845311] FX This study was supported partly by Laboratory-Directed Research and Development of Los Alamos National Laboratory under grant number 20100034DR, by the U.S. Department of Energy Joint Genome Institute through the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231, and by grants from the U.S. Defense Threat Reduction Agency under contract numbers B1041531 and B0845311. NR 54 TC 101 Z9 106 U1 10 U2 280 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 0958-1669 EI 1879-0429 J9 CURR OPIN BIOTECH JI Curr. Opin. Biotechnol. PD FEB PY 2012 VL 23 IS 1 BP 9 EP 15 DI 10.1016/j.copbio.2011.11.013 PG 7 WC Biochemical Research Methods; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA 900DZ UT WOS:000300868100003 PM 22154470 ER PT J AU Borglin, S Joyner, D DeAngelis, KM Khudyakov, J D'haeseleer, P Joachimiak, MP Hazen, T AF Borglin, Sharon Joyner, Dominique DeAngelis, Kristen M. Khudyakov, Jane D'haeseleer, Patrik Joachimiak, Marcin P. Hazen, Terry TI Application of phenotypic microarrays to environmental microbiology SO CURRENT OPINION IN BIOTECHNOLOGY LA English DT Review ID DESULFOVIBRIO-VULGARIS HILDENBOROUGH; GROWTH CURVE; BACTERIA; PROFILES; STRESS; REDUCTION; MUTANTS; BIOLOGY; YEAST; TOOL AB Environmental organisms are extremely diverse and only a small fraction has been successfully cultured in the laboratory. Culture in micro wells provides a method for rapid screening of a wide variety of growth conditions and commercially available plates contain a large number of substrates, nutrient sources, and inhibitors, which can provide an assessment of the phenotype of an organism. This review describes applications of phenotype arrays to anaerobic and thermophilic microorganisms, use of the plates in stress response studies, in development of culture media for newly discovered strains, and for assessment of phenotype of environmental communities. Also discussed are considerations and challenges in data interpretation and visualization, including data normalization, statistics, and curve fitting. C1 [Borglin, Sharon; Joyner, Dominique; DeAngelis, Kristen M.; Hazen, Terry] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Dept Ecol, Berkeley, CA 94720 USA. [DeAngelis, Kristen M.] Univ Massachusetts, Dept Microbiol, Amherst, MA 01003 USA. [DeAngelis, Kristen M.; Khudyakov, Jane; D'haeseleer, Patrik; Hazen, Terry] Joint Bioenergy Inst, Microbial Communities Grp, Emeryville, CA USA. [D'haeseleer, Patrik] Lawrence Livermore Natl Lab, Biosci & Biotechnol Div, Livermore, CA USA. [Joachimiak, Marcin P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Joachimiak, Marcin P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Virtual Inst Microbial Stress & Survival, Berkeley, CA 94720 USA. [Hazen, Terry] Univ Tennessee, Dept Civil & Environm Engn, Knoxville, TN 37996 USA. [Hazen, Terry] Oak Ridge Natl Lab, Biosci Div, Oak Ridge, TN USA. RP Hazen, T (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Dept Ecol, 1 Cyclotron Rd,MS 70A-3317, Berkeley, CA 94720 USA. EM tchazen@utk.edu RI Khudyakov, Jane/C-1213-2014; Borglin, Sharon/I-1013-2016; Hazen, Terry/C-1076-2012; OI Hazen, Terry/0000-0002-2536-9993; D'haeseleer, Patrik/0000-0003-0007-8150; Khudyakov, Jane/0000-0001-7038-102X; DeAngelis, Kristen/0000-0002-5585-4551 NR 54 TC 18 Z9 18 U1 1 U2 30 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 0958-1669 J9 CURR OPIN BIOTECH JI Curr. Opin. Biotechnol. PD FEB PY 2012 VL 23 IS 1 BP 41 EP 48 DI 10.1016/j.copbio.2011.12.006 PG 8 WC Biochemical Research Methods; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA 900DZ UT WOS:000300868100008 PM 22217654 ER PT J AU Desai, N Antonopoulos, D Gilbert, JA Glass, EM Meyer, F AF Desai, Narayan Antonopoulos, Dion Gilbert, Jack A. Glass, Elizabeth M. Meyer, Folker TI From genomics to metagenomics SO CURRENT OPINION IN BIOTECHNOLOGY LA English DT Review ID OCEAN SAMPLING EXPEDITION; PHYLOGENETIC CLASSIFICATION; DNA FRAGMENTS; SEQUENCES; DATABASE; READS; ASSEMBLER; RESOURCE; SERVER; BLAST AB Next-generation sequencing has changed metagenomics. However, sequencing DNA is no longer the bottleneck, rather, the bottleneck is computational analysis and also interpretation. Computational cost is the obvious issue, as is tool limitations, considering most of the tools we routinely use have been built for clonal genomics or are being adapted to microbial communities. The current trend in metagenomics analysis is toward reducing computational costs through improved algorithms and through analysis strategies. Data sharing and interoperability between tools are critical, since computation for metagenomic datasets is very high. C1 [Desai, Narayan; Glass, Elizabeth M.; Meyer, Folker] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. [Antonopoulos, Dion; Gilbert, Jack A.; Meyer, Folker] Argonne Natl Lab, Inst Genom & Syst Biol, Argonne, IL 60439 USA. [Antonopoulos, Dion] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Gilbert, Jack A.] Univ Chicago, Dept Ecol & Evolut, Chicago, IL 60637 USA. RP Meyer, F (reprint author), Argonne Natl Lab, Math & Comp Sci Div, 9700 S Cass Ave, Argonne, IL 60439 USA. EM folker@anl.gov OI Meyer, Folker/0000-0003-1112-2284 FU U.S. Department of Energy [DE-AC02-06CH11357] FX This work was supported by the U.S. Department of Energy, under Contract DE-AC02-06CH11357. NR 38 TC 34 Z9 34 U1 4 U2 55 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 0958-1669 J9 CURR OPIN BIOTECH JI Curr. Opin. Biotechnol. PD FEB PY 2012 VL 23 IS 1 BP 72 EP 76 DI 10.1016/j.copbio.2011.12.017 PG 5 WC Biochemical Research Methods; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA 900DZ UT WOS:000300868100012 PM 22227326 ER PT J AU Wu, MY Singh, AK AF Wu, Meiye Singh, Anup K. TI Single-cell protein analysis SO CURRENT OPINION IN BIOTECHNOLOGY LA English DT Review ID FLOW-CYTOMETRY; MASS-SPECTROMETRY; T-CELLS; DYNAMICS; IDENTIFICATION; TRANSCRIPTOME; ENUMERATION; NETWORKS; PLATFORM; ELISPOT AB Heterogeneity of cellular systems has been widely recognized but only recently have tools become available that allow probing of genes and proteins in single cells to understand it. While the advancement in single cell genomic analysis has been greatly aided by the power of amplification techniques (e.g. PCR), analysis of proteins in single cells has proven to be more challenging. However, recent advances in multi-parameter flow cytometry, microscopy, microfluidics and other techniques have made it possible to measure wide variety of proteins in single cells. In this review, we highlight key recent developments in analysis of proteins in a single cell (excluding imaging-based methods), and discuss their significance in biological research. C1 [Wu, Meiye; Singh, Anup K.] Sandia Natl Labs, Dept Bioengn & Biotechnol, Livermore, CA 94550 USA. RP Singh, AK (reprint author), Sandia Natl Labs, Dept Bioengn & Biotechnol, Livermore, CA 94550 USA. EM aksingh@sandia.gov OI Wu, Meiye/0000-0003-3712-1554 FU NIDCR [R01 DE020891, P50GM085273]; NIGMS; ENIGMA, a Lawrence Berkeley National Laboratory; U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research; United States Department of Energy [DE-AC04-94AL85000] FX Financial support for preparation and some of the work included was provided by the grants: R01 DE020891, funded by the NIDCR; P50GM085273 (the New Mexico Spatiotemporal Modeling Center) funded by the NIGMS; and ENIGMA, a Lawrence Berkeley National Laboratory Scientific Focus Area Program supported by the U.S. Department of Energy, Office of Science, Office of Biological and Environmental Research. Sandia is a multi-program laboratory operated by Sandia Corp., a Lockheed Martin Co., for the United States Department of Energy under Contract DE-AC04-94AL85000. NR 36 TC 55 Z9 56 U1 6 U2 76 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 0958-1669 J9 CURR OPIN BIOTECH JI Curr. Opin. Biotechnol. PD FEB PY 2012 VL 23 IS 1 BP 83 EP 88 DI 10.1016/j.copbio.2011.11.023 PG 6 WC Biochemical Research Methods; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA 900DZ UT WOS:000300868100014 PM 22189001 ER PT J AU Yannone, SM Hartung, S Menon, AL Adams, MWW Tainer, JA AF Yannone, Steven M. Hartung, Sophia Menon, Angeli L. Adams, Michael W. W. Tainer, John A. TI Metals in biology: defining metalloproteomes SO CURRENT OPINION IN BIOTECHNOLOGY LA English DT Review ID PLASMA-MASS SPECTROMETRY; IRON-MOLYBDENUM COFACTOR; SUPEROXIDE-DISMUTASE; CRYSTAL-STRUCTURE; DNA RECOGNITION; PROTEIN; ZINC; MECHANISM; INSIGHTS; DATABASE AB The vital nature of metal uptake and balance in biology is evident in the highly evolved strategies to facilitate metal homeostasis in all three domains of life. Several decades of study on metals and metalloproteins have revealed numerous essential bio-metal functions. Recent advances in mass spectrometry, X-ray scattering/absorption, and proteomics have exposed a much broader usage of metals in biology than expected. Even elements such as uranium, arsenic, and lead are implicated in biological processes as part of an emerging and expansive view of bio-metals. Here we discuss opportunities and challenges for established and newer approaches to study metalloproteins with a focus on technologies that promise to rapidly expand our knowledge of metalloproteins and metal functions in biology. C1 [Yannone, Steven M.; Hartung, Sophia; Tainer, John A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Menon, Angeli L.; Adams, Michael W. W.] Univ Georgia, Dept Biochem & Mol Biol, Athens, GA 30602 USA. RP Yannone, SM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Mail Stop 84-171,1 Cyclotron Rd, Berkeley, CA 94720 USA. EM SMYannone@lbl.gov FU ENIGMA - Ecosystems and Networks Integrated with Genes and Molecular Assemblies; U.S. Department of Energy Office of Science and Office of Biological and Environmental Research [DE-AC02-05CH11231]; National Institutes of Health [AI22160] FX We thank Jill O. Fuss and Barbara K. Burgess for inspiring discussions and acknowledge support of ENIGMA - Ecosystems and Networks Integrated with Genes and Molecular Assemblies, a project supported by the U.S. Department of Energy Office of Science and Office of Biological and Environmental Research under Contract No. DE-AC02-05CH11231. John Tainer's efforts on microbial systems relating to pathogenesis were funded by National Institutes of Health Grant AI22160. NR 51 TC 27 Z9 27 U1 3 U2 70 PU CURRENT BIOLOGY LTD PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 0958-1669 J9 CURR OPIN BIOTECH JI Curr. Opin. Biotechnol. PD FEB PY 2012 VL 23 IS 1 BP 89 EP 95 DI 10.1016/j.copbio.2011.11.005 PG 7 WC Biochemical Research Methods; Biotechnology & Applied Microbiology SC Biochemistry & Molecular Biology; Biotechnology & Applied Microbiology GA 900DZ UT WOS:000300868100015 PM 22138493 ER PT J AU Yoon, WS Nam, KW Jang, D Chung, KY Cho, YH Choi, S Hanson, JC Yang, XQ AF Yoon, Won-Sub Nam, Kyung-Wan Jang, Donghyuk Chung, Kyung Yoon Cho, Yong-Hun Choi, Seungdon Hanson, Jonathan C. Yang, Xiao-Qing TI The kinetic effect on structural behavior of mixed LiMn2O4-LiNi1/3Co1/3Mn1/3O2 cathode materials studied by in situ time-resolved X-ray diffraction technique SO ELECTROCHEMISTRY COMMUNICATIONS LA English DT Article DE Lithium battery; Time-resolved XRD; Composite cathode; LiMn2O4; LiNi1/3Co1/3Mn1/3O2 ID LI-ION BATTERIES; ELECTROCHEMICAL EVALUATION; THERMAL-DECOMPOSITION; PHASE-TRANSITIONS; COMPOSITE CATHODE; LINI0.8CO0.2O2; LIMN2O4; SPINEL; OXIDE; XRD AB How the structural changes of each active material in mixed cathode systems take place at different charge-discharge rates is quite important in the application of the system in which the mixed cathode materials with different rate capabilities are formed into one composite electrode. Here we report the results of the real time structural change studies of mixed LiMn2O4-LiNi1/3Co1/3Mn1/3O2 composite cathode in a Li-ion cell by using in situ synchrotron-based time resolved x-ray diffraction (TR-XRD) technique. The layer structured component in the mixed composite cathode system shows less utilization at fast discharge rate (high power mode) whereas the spinel structured component is fully utilized. This clearly demonstrates that the reduced capacity at fast discharge rate for this system is caused by the less utilization of the layer structured component. The real time monitoring of the structural behavior at various discharge rates is a great tool to design the best ratios of active materials with different rate capabilities in the mixed cathode systems for different applications. (C) 2011 Elsevier B.V. All rights reserved. C1 [Yoon, Won-Sub; Jang, Donghyuk] Sungkyunkwan Univ, Dept Energy Sci, Suwon 440746, South Korea. [Nam, Kyung-Wan; Hanson, Jonathan C.; Yang, Xiao-Qing] Brookhaven Natl Lab, Dept Chem, Upton, NY 11973 USA. [Chung, Kyung Yoon] Korea Inst Sci & Technol, Energy Storage Res Ctr, Seoul 136791, South Korea. [Cho, Yong-Hun] Kookmin Univ, Sch Adv Mat Engn, Seoul, South Korea. [Choi, Seungdon] LG Chem Res Pk, Battery Res & Dev, Taejon 305380, South Korea. RP Yoon, WS (reprint author), Sungkyunkwan Univ, Dept Energy Sci, Suwon 440746, South Korea. EM wsyoon@skku.edu; knam@bnl.gov RI Nam, Kyung-Wan Nam/G-9271-2011; Yoon, Won-Sub/H-2343-2011; Nam, Kyung-Wan/B-9029-2013; Nam, Kyung-Wan/E-9063-2015; Chung, Kyung Yoon/E-4646-2011 OI Nam, Kyung-Wan/0000-0001-6278-6369; Nam, Kyung-Wan/0000-0001-6278-6369; Chung, Kyung Yoon/0000-0002-1273-746X FU U.S. Department of Energy, the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies [DEAC02-98CH10886]; Global Research Laboratory through the National Research Foundation of Korea (NRF); Ministry of Education, Science and Technology (MEST) [2011-00115]; National Research Foundation; Fundamental R&D Program for Technology of World Premier Materials; Korean Government [NRF-2010-C1AAA001-2010-0029065/2009-0067121/R31-2008-10029] FX The work done at Brookhaven National Lab. was supported by the U.S. Department of Energy, the Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies under Contract number DEAC02-98CH10886. The work done at KIST was supported by the Global Research Laboratory Program through the National Research Foundation of Korea (NRF), which is funded by the Ministry of Education, Science and Technology (MEST) (grant number: 2011-00115). The work at Sungkyunkwan University was supported by the National Research Foundation and the Fundamental R&D Program for Technology of World Premier Materials funded by the Korean Government (NRF-2010-C1AAA001-2010-0029065/2009-0067121/R31-2008-10029). NR 17 TC 9 Z9 11 U1 5 U2 67 PU ELSEVIER SCIENCE INC PI NEW YORK PA 360 PARK AVE SOUTH, NEW YORK, NY 10010-1710 USA SN 1388-2481 J9 ELECTROCHEM COMMUN JI Electrochem. Commun. PD FEB PY 2012 VL 15 IS 1 BP 74 EP 77 DI 10.1016/j.elecom.2011.11.027 PG 4 WC Electrochemistry SC Electrochemistry GA 900BA UT WOS:000300860400019 ER PT J AU Pereira, JH Ralston, CY Douglas, NR Kumar, R Lopez, T McAndrew, RP Knee, KM King, JA Frydman, J Adams, PD AF Pereira, Jose H. Ralston, Corie Y. Douglas, Nicholai R. Kumar, Ramya Lopez, Tom McAndrew, Ryan P. Knee, Kelly M. King, Jonathan A. Frydman, Judith Adams, Paul D. TI Mechanism of nucleotide sensing in group II chaperonins SO EMBO JOURNAL LA English DT Article DE ATPase activity; chaperonins; nucleotide-sensing; protein folding; structure ID EUKARYOTIC CHAPERONIN; ATP HYDROLYSIS; LID CLOSURE; FLUORIDE COMPLEXES; CRYSTAL-STRUCTURES; GAMMA-PHOSPHATE; FOLDING CHAMBER; GROEL-GROES; PROTEIN; TCP-1 AB Group II chaperonins mediate protein folding in an ATP-dependent manner in eukaryotes and archaea. The binding of ATP and subsequent hydrolysis promotes the closure of the multi-subunit rings where protein folding occurs. The mechanism by which local changes in the nucleotide-binding site are communicated between individual subunits is unknown. The crystal structure of the archaeal chaperonin from Methanococcus maripaludis in several nucleotides bound states reveals the local conformational changes associated with ATP hydrolysis. Residue Lys-161, which is extremely conserved among group II chaperonins, forms interactions with the gamma-phosphate of ATP but shows a different orientation in the presence of ADP. The loss of the ATP gamma-phosphate interaction with Lys-161 in the ADP state promotes a significant rearrangement of a loop consisting of residues 160-169. We propose that Lys-161 functions as an ATP sensor and that 160-169 constitutes a nucleotide-sensing loop (NSL) that monitors the presence of the gamma-phosphate. Functional analysis using NSL mutants shows a significant decrease in ATPase activity, suggesting that the NSL is involved in timing of the protein folding cycle. The EMBO Journal (2012) 31, 731-740. doi: 10.1038/emboj.2011.468; Published online 23 December 2011 C1 [Pereira, Jose H.; Ralston, Corie Y.; McAndrew, Ryan P.; Adams, Paul D.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Douglas, Nicholai R.; Kumar, Ramya; Lopez, Tom; Frydman, Judith] Stanford Univ, Dept Biol, Stanford, CA 94305 USA. [Douglas, Nicholai R.; Kumar, Ramya; Lopez, Tom; Frydman, Judith] Stanford Univ, BioX Program, Stanford, CA 94305 USA. [Knee, Kelly M.; King, Jonathan A.] MIT, Dept Biol, Cambridge, MA USA. [Adams, Paul D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. RP Adams, PD (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM pdadams@lbl.gov RI Adams, Paul/A-1977-2013 OI Adams, Paul/0000-0001-9333-8219 FU National Institutes of Health; National Institute of General Medical Sciences; Howard Hughes Medical Institute; Office of Science, Office of Basic Energy Sciences, of the US Department of Energy [DE-AC02-05CH11231]; NIH Roadmap [2PN2EY016525] FX We are grateful to the staff of the Berkeley Center for Structural Biology at the Advanced Light Source of Lawrence Berkeley National Laboratory. The Berkeley Center for Structural Biology was supported in part by the National Institutes of Health and National Institute of General Medical Sciences, and the Howard Hughes Medical Institute. The Advanced Light Source was supported by the Director, Office of Science, Office of Basic Energy Sciences, of the US Department of Energy under Contract No. DE-AC02-05CH11231. This work was performed as part of the Center for Protein Folding Machinery; a NIH Roadmap-supported Nanomedicine Development Center, through Grant 2PN2EY016525. NR 33 TC 10 Z9 10 U1 1 U2 11 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 0261-4189 J9 EMBO J JI Embo J. PD FEB 1 PY 2012 VL 31 IS 3 BP 731 EP 740 DI 10.1038/emboj.2011.468 PG 10 WC Biochemistry & Molecular Biology; Cell Biology SC Biochemistry & Molecular Biology; Cell Biology GA 900FJ UT WOS:000300871700020 PM 22193720 ER PT J AU Brown, DW Butchko, RAE Baker, SE Proctor, RH AF Brown, Daren W. Butchko, Robert A. E. Baker, Scott E. Proctor, Robert H. TI Phylogenomic and functional domain analysis of polyketide synthases in Fusarium SO FUNGAL BIOLOGY LA English DT Article DE Fusarium; Microarray; Phylogenomic analysis; Polyketide; Secondary metabolites ID BIOSYNTHESIS; GENES; GRAMINEARUM; MYCOTOXINS; FUMONISINS; GENOMICS; TOXINS; VERTICILLIOIDES; IDENTIFICATION; NORMALIZATION AB Fusarium species are ubiquitous in nature, cause a range of plant diseases, and produce a variety of chemicals often referred to as secondary metabolites. Although some fungal secondary metabolites affect plant growth or protect plants from other fungi and bacteria, their presence in grain-based food and feed is more often associated with a variety of diseases in plants and in animals. Many of these structurally diverse metabolites are derived from a family of related enzymes called polyketide synthases (PKSs). A search of genomic sequence of Fusarium verticillioides, Fusarium graminearum, Fusarium oxysporum, and Fusarium solani identified a total of 58 PKS genes. To gain insight into how this gene family evolved and to guide future studies, we conducted phylogenomic and functional domain analyses. The resulting geneaology suggested that Fusarium PKSs represent 34 different groups responsible for synthesis of different core metabolites. The analyses indicate that variation in the Fusarium PKS gene family is due to gene duplication and loss events as well as enzyme gain-of-function due to the acquisition of new domains or of loss-of-function due to nucleotide mutations. Transcriptional analysis indicates that the 16 F. verticillioides PKS genes are expressed under a range of conditions, further evidence that they are functional genes that confer the ability to produce secondary metabolites. Published by Elsevier Ltd on behalf of The British Mycological Society. C1 [Brown, Daren W.; Butchko, Robert A. E.; Proctor, Robert H.] ARS, USDA, NCAUR, Peoria, IL 61604 USA. [Baker, Scott E.] Pacific NW Natl Lab, Chem & Biol Proc Dev Grp, Richland, WA 99352 USA. RP Brown, DW (reprint author), ARS, USDA, NCAUR, 1815 N Univ St, Peoria, IL 61604 USA. EM daren.brown@ars.usda.gov NR 55 TC 28 Z9 28 U1 3 U2 21 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 1878-6146 J9 FUNGAL BIOL-UK JI Fungal Biol. PD FEB PY 2012 VL 116 IS 2 BP 318 EP 331 DI 10.1016/j.funbio.2011.12.005 PG 14 WC Mycology SC Mycology GA 900UV UT WOS:000300917700015 PM 22289777 ER PT J AU Lee, J Hwang, T Song, D Kim, JT AF Lee, Joonghoon Hwang, Taeyon Song, Doosam Kim, Jeong Tai TI Quantitative Reduction Method of Draft in High-Rise Buildings, Using Revolving Doors SO INDOOR AND BUILT ENVIRONMENT LA English DT Article DE Stack effect; Revolving doors; Drafts; Simulations ID VENTILATION; STRATEGIES AB Drafts in high-rise buildings caused by the stack effect can cause noise and reduce the performances of ventilation, cooling and heating systems as well as the building's energy efficiency. Revolving doors are generally used as a method to reduce drafts; however, the effect would only be limited to the main entrance on the lobby floor. Revolving doors have two main advantages; that their opening areas are seldom changed by people passing through the doors, and the doors do not have the pressure-related functional problems. Considering these advantages, this study examined a quantitative draft reduction method using revolving doors in high-rise buildings. This method would contribute to the design process to install revolving doors to buildings and consists of 10 steps with two key steps of selecting the installation locations of revolving doors and to calculate the air leakage area of revolving doors. Verification through simulations showed that, based on this process, the use of revolving doors could reduce the drafts in buildings by a quantified target value. Furthermore, the possibility of problems due to the stack effect in the other walls of buildings would decrease due to the pressure sharing of the additional walls fitted to revolving doors. C1 [Hwang, Taeyon] Kyung Hee Univ, Dept Architectural Engn, Yongin 446701, South Korea. [Lee, Joonghoon] Samsung C&T Corp, Technol Res Ctr, Seoul 137857, South Korea. [Hwang, Taeyon; Kim, Jeong Tai] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Bldg Technol Dept, Berkeley, CA 94720 USA. [Song, Doosam] Sungkyunkwan Univ, Dept Architectural Engn, Suwon 440746, South Korea. RP Hwang, T (reprint author), Kyung Hee Univ, Dept Architectural Engn, Yongin 446701, South Korea. EM hwang@khu.ac.kr FU National Research Foundation of Korea (NRF); Korea government (MEST) [2011-0001031] FX This work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MEST), (No. 2011-0001031). NR 18 TC 3 Z9 3 U1 3 U2 16 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1420-326X J9 INDOOR BUILT ENVIRON JI Indoor Built Environ. PD FEB PY 2012 VL 21 IS 1 SI SI BP 79 EP 91 DI 10.1177/1420326X11420014 PG 13 WC Construction & Building Technology; Engineering, Environmental; Public, Environmental & Occupational Health SC Construction & Building Technology; Engineering; Public, Environmental & Occupational Health GA 890ZH UT WOS:000300185200009 ER PT J AU Hwang, T Lee, DG Kim, JT AF Hwang, Taeyon Lee, Dong Gi Kim, Jeong Tai TI Optimal Illuminance of Seven Major Lighting Colours in LED: Focus on Occupant Comfort and Communication in an Indoor Environment SO INDOOR AND BUILT ENVIRONMENT LA English DT Article DE LED; Lighting colours; Reasonable range of illuminance; Permissible range of illuminance; Occupants' comfort and communication; Purity of colours AB This study aims to evaluate the optimal illuminance for each lighting colour of light-emitting diode (LED) light sources among the seven major lighting colours (red, green, blue, cyan, magenta, yellow and white); the focus was on the optimal combination of these colours for enhancement of occupant comfort and communication indoors. The evaluation of optimal illuminance for LED lighting colours found that the occupants felt the cyan LED light source was similar to a white light source, and that the relative brightness of the green lighting colour was higher than that for other colours. The evaluation of the permissible range of illuminance for LED lighting colours found that occupants believed the red lighting colours to be relatively darker; again, the relative brightness of green lighting was considered to be higher. An experiment with subjects for LED lighting colours (consisting of 19 patterns of 7 colours in the living room of a house) found that the optimal illuminance for occupants' comfort was 32[lx]-119[lx], and for occupants' communication was 107[lx]-584[lx]. These results satisfied the illuminance criteria of Korean Standards as the optimal illuminance for occupants' comfort and communication in the living room. C1 [Lee, Dong Gi] Univ Tokyo, Grad Sch Engn, Dept Architecture, Tokyo 1138656, Japan. [Hwang, Taeyon; Kim, Jeong Tai] Kyung Hee Univ, Dept Architectural Engn, Yongin 446701, South Korea. [Hwang, Taeyon] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Bldg Technol Dept, Berkeley, CA 94720 USA. RP Lee, DG (reprint author), Univ Tokyo, Grad Sch Engn, Dept Architecture, Tokyo 1138656, Japan. EM hwang@khu.ac.kr FU National Research Foundation of Korea (NRF); Korea government (MEST) [2011-0001031] FX This Work was supported by the National Research Foundation of Korea (NRF) grant funded by the Korea government (MEST) (No. 2011-0001031). NR 19 TC 6 Z9 6 U1 0 U2 8 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1420-326X J9 INDOOR BUILT ENVIRON JI Indoor Built Environ. PD FEB PY 2012 VL 21 IS 1 SI SI BP 122 EP 128 DI 10.1177/1420326X11420013 PG 7 WC Construction & Building Technology; Engineering, Environmental; Public, Environmental & Occupational Health SC Construction & Building Technology; Engineering; Public, Environmental & Occupational Health GA 890ZH UT WOS:000300185200013 ER PT J AU Dennis, JM Vertenstein, M Worley, PH Mirin, AA Craig, AP Jacob, R Mickelson, S AF Dennis, John M. Vertenstein, Mariana Worley, Patrick H. Mirin, Arthur A. Craig, Anthony P. Jacob, Robert Mickelson, Sheri TI Computational performance of ultra-high-resolution capability in the Community Earth System Model SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE Performance engineering; climate modeling; high-resolution; application optimization; Earth system modeling AB With the fourth release of the Community Climate System Model, the ability to perform ultra-high-resolution climate simulations is now possible, enabling eddy-resolving ocean and sea-ice models to be coupled to a finite-volume atmosphere model for a range of atmospheric resolutions. This capability was made possible by enabling the model to use large scale parallelism, which required a significant refactoring of the software infrastructure. We describe the scalability of two ultra-high-resolution coupled configurations on leadership class computing platforms. We demonstrate the ability to utilize over 30,000 processor cores on a Cray XT5 system and over 60,000 cores on an IBM Blue Gene/P system to obtain climatologically relevant simulation rates for these configurations. C1 [Dennis, John M.] Natl Ctr Atmospher Res, Comp & Informat Syst Lab, Boulder, CO 80305 USA. [Vertenstein, Mariana; Craig, Anthony P.] Natl Ctr Atmospher Res, Earth Syst Lab, Boulder, CO 80305 USA. [Worley, Patrick H.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN USA. [Mirin, Arthur A.] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Sci Comp Grp, Livermore, CA USA. [Jacob, Robert; Mickelson, Sheri] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. RP Dennis, JM (reprint author), Natl Ctr Atmospher Res, Comp & Informat Syst Lab, 1850 Table Mesa Dr, Boulder, CO 80305 USA. EM dennis@ucar.edu OI Jacob, Robert/0000-0002-9444-6593 FU National Science Foundation [NSF01]; Department of Energy, Office of Biological and Environmental Research [DE-FC02-97ER62402, DE-FC02-07ER64340]; Climate Change Prediction Program [DE-PS02-07ER07-06]; DOE [DE-FG02-06ER06-04]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Climate and Environmental Sciences Division of the Office of Biological and Environmental Research; Office of Advanced Scientific Computing Research; Office of Science, U.S. Department of Energy [DE-AC05-00OR22725, DE-AC02-06CH11357]; UT-Battelle, LLC; Office of Science of the Department of Energy [DE-AC05-00OR22725]; [OCI-0749206]; [CCF-0937939]; [AGS-0856145] FX This work was financially supported through National Science Foundation Cooperative Grant NSF01 which funds the National Center for Atmospheric Research (NCAR), and through the grants #OCI-0749206, #CCF-0937939, and #AGS-0856145. Additional funding is provided through the Department of Energy, Office of Biological and Environmental Research under grants #DE-FC02-97ER62402, and #DE-FC02-07ER64340 and Climate Change Prediction Program Grant #DE-PS02-07ER07-06 and the DOE Scientific Discovery through Advanced Computing Program grant #DE-FG02-06ER06-04. Work on the part of A. A. Mirin was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract #DE-AC52-07NA27344. The work of P. H. Worley was sponsored in part by the Climate and Environmental Sciences Division of the Office of Biological and Environmental Research and by the Office of Advanced Scientific Computing Research, both in the Office of Science, U.S. Department of Energy, under contract #DE-AC05-00OR22725 with UT-Battelle, LLC.; This work used resources of the Oak Ridge Leadership Computing Facility, located in the National Center for Computational Sciences at Oak Ridge National Laboratory, which is supported by the Office of Science of the Department of Energy under Contract #DE-AC05-00OR22725. It also used resources of the Argonne Leadership Computing Facility at Argonne National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under contract DE-AC02-06CH11357. NR 32 TC 28 Z9 29 U1 0 U2 11 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 EI 1741-2846 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD FEB PY 2012 VL 26 IS 1 BP 5 EP 16 DI 10.1177/1094342012436965 PG 12 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 899TP UT WOS:000300839500002 ER PT J AU Mirin, AA Worley, PH AF Mirin, Arthur A. Worley, Patrick H. TI Improving the performance scalability of the community atmosphere model SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE atmospheric modeling; CAM; massively parallel computing; performance; scalability ID VOLUME DYNAMICAL CORE AB The Community Atmosphere Model (CAM), which serves as the atmosphere component of the Community Climate System Model (CCSM), is the most computationally expensive CCSM component in typical configurations. On current and next-generation leadership class computing systems, the performance of CAM is tied to its parallel scalability. Improving performance scalability in CAM has been a challenge, due largely to algorithmic restrictions necessitated by the polar singularities in its latitude-longitude computational grid. Nevertheless, through a combination of exploiting additional parallelism, implementing improved communication protocols, and eliminating scalability bottlenecks, we have been able to more than double the maximum throughput rate of CAM on production platforms. We describe these improvements and present results on the Cray XT5 and IBM BG/P. The approaches taken are not specific to CAM and may inform similar scalability enhancement activities for other codes. C1 [Mirin, Arthur A.] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Sci Comp Grp, Livermore, CA 94551 USA. [Worley, Patrick H.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN USA. RP Mirin, AA (reprint author), Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Sci Comp Grp, POB 808, Livermore, CA 94551 USA. EM mirin@llnl.gov FU US Government [DE-AC05-00OR22725, DE-AC52-07NA27344]; Climate and Environmental Sciences Division of the Office of Biological and Environmental Research in the Office of Science, US Department of Energy [DE-AC05-00OR22725]; Office of Advanced Scientific Computing Research, in the Office of Science, US Department of Energy [DE-AC05-00OR22725]; UT-Battelle, LLC; Lawrence Livermore National Security, LLC [DE-AC52-07NA27344]; Office of Science of the Department of Energy [DE-AC05-00OR22725, DE-AC02-06CH11357] FX This work has been authored by contractors of the US Government (contract numbers DE-AC05-00OR22725 and DE-AC52-07NA27344), and is released as LLNL Report LLNL-JRNL-436196. Accordingly, the US Government retains a non-exclusive, royalty-free license to publish or reproduce the published form of this contribution, or allow others to do so, for US Government purposes.; This research was sponsored by the Climate and Environmental Sciences Division of the Office of Biological and Environmental Research and by the Office of Advanced Scientific Computing Research, both in the Office of Science, US Department of Energy (contract number DE-AC05-00OR22725) with UT-Battelle, LLC and also at Lawrence Livermore National Security, LLC (contract number DE-AC52-07NA27344). This work used resources of the Oak Ridge Leadership Computing Facility, located in the National Center for Computational Sciences at Oak Ridge National Laboratory, which is supported by the Office of Science of the Department of Energy (contract number DE-AC05-00OR22725). It also used resources of the Argonne Leadership Computing Facility at Argonne National Laboratory, which is supported by the Office of Science of the US Department of Energy under contract DE-AC02-06CH11357. NR 19 TC 8 Z9 9 U1 0 U2 5 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD FEB PY 2012 VL 26 IS 1 BP 17 EP 30 DI 10.1177/1094342011412630 PG 14 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 899TP UT WOS:000300839500003 ER PT J AU Craig, AP Vertenstein, M Jacob, R AF Craig, Anthony P. Vertenstein, Mariana Jacob, Robert TI A new flexible coupler for earth system modeling developed for CCSM4 and CESM1 SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE climate; Community Climate System Model; coupler; coupling; CPL7; model; performance; scaling ID CLIMATE MODEL; COMMUNITY; TOOLKIT AB The Community Climate System Model (CCSM) has been developed over the last decade, and it is used to understand past, present, and future climates. The latest versions of the model, CCSM4 and CESM1, contain totally new coupling capabilities in the CPL7 coupler that permit additional flexibility and extensibility to address the challenges involved in earth system modeling. The CPL7 coupling architecture takes a completely new approach with respect to the high-level design of the system. CCSM4 now contains a top-level driver that calls model component initialize, run, and finalize methods through specified interfaces. The top-level driver allows the model components to be placed on relatively arbitrary hardware processor layouts and run sequentially, concurrently, or mixed. Improvements have been made to the memory and performance scaling of the coupler to support much higher resolution configurations. CCSM4 scales better to higher processor counts, and has the ability to handle global resolutions up to one-tenth of a degree. C1 [Craig, Anthony P.; Vertenstein, Mariana] Natl Ctr Atmospher Res, Climate & Global Dynam Div, Boulder, CO 80307 USA. [Jacob, Robert] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. RP Vertenstein, M (reprint author), Natl Ctr Atmospher Res, Climate & Global Dynam Div, POB 3000, Boulder, CO 80307 USA. EM tcraig@ucar.edu OI Jacob, Robert/0000-0002-9444-6593 FU National Science Foundation [AGS-0856145]; Office of Science (BER) of the US Department of Energy [DE-FC02-97ER62402, DE-FC02-07ER64340, DE-AC02-06CH11357, DE-AC05-00OR22725]; Office of Science of the US Department of Energy [DE-AC02-06CH11357] FX The CESM project is supported by the National Science Foundation and the Office of Science (BER) of the US Department of Energy. The NCAR is sponsored by the National Science Foundation. This work has been supported by the Office of Science (BER) US Department of Energy under contracts DE-FC02-97ER62402, DE-FC02-07ER64340 and DE-AC02-06CH11357. Additional support has been provided by the National Science Foundation grant AGS-0856145. This research used resources at the Climate Simulation Laboratory at NCAR's Computation and Information Systems Laboratory (CISL), sponsored by the National Science Foundation; the Oak Ridge Leadership Computing Facility located in the NCCS at ORNL, which is supported by the Office of Science (BER) of the Department of Energy under Contract DE-AC05-00OR22725; and the Argonne Leadership Computing Facility at ANL, which is supported by the Office of Science of the US Department of Energy under contract DE-AC02-06CH11357 NR 17 TC 41 Z9 45 U1 0 U2 18 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD FEB PY 2012 VL 26 IS 1 BP 31 EP 42 DI 10.1177/1094342011428141 PG 12 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 899TP UT WOS:000300839500004 ER PT J AU Dennis, JM Edwards, J Loy, R Jacob, R Mirin, AA Craig, AP Vertenstein, M AF Dennis, John M. Edwards, Jim Loy, Ray Jacob, Robert Mirin, Arthur A. Craig, Anthony P. Vertenstein, Mariana TI An application-level parallel I/O library for Earth system models SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE Parallel I/O; Earth System Modeling; parallel computing; memory efficient; netCDF ID COUPLING TOOLKIT AB We describe the design and implementation of an application-level parallel I/O (PIO) library for the reading and writing of distributed arrays to several common scientific data formats. PIO provides the flexibility to control the number of I/O tasks through data rearrangement to an I/O friendly decomposition. This flexibility enables reductions in per task memory usage and improvements in disk I/O performance versus a serial I/O approach. We illustrate the impact various features within PIO have on memory usage and disk I/O bandwidth on a Cray XT5 system. C1 [Dennis, John M.] Natl Ctr Atmospher Res, Comp & Informat Syst Lab, Boulder, CO 80305 USA. [Edwards, Jim; Craig, Anthony P.; Vertenstein, Mariana] Natl Ctr Atmospher Res, Earth Syst Lab, Boulder, CO 80305 USA. [Loy, Ray; Jacob, Robert] Argonne Natl Lab, Math & Comp Sci Div, Argonne, IL 60439 USA. [Mirin, Arthur A.] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Sci Comp Grp, Livermore, CA USA. RP Dennis, JM (reprint author), Natl Ctr Atmospher Res, Comp & Informat Syst Lab, 1850 Table Mesa Dr, Boulder, CO 80305 USA. EM dennis@ucar.edu OI Jacob, Robert/0000-0002-9444-6593 FU National Science Foundation [NSF01, OCI-0749206, CCF-0937939, OCE-0825754, AGS-0856145]; Department of Energy, Office of Biological and Environmental Research [DE-FC02-97ER62402, DE-FC02-07ER64340]; Climate Change Prediction Program [DE-PS02-07ER07-06]; DOE [DE-FG02-06ER06-04]; US Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Office of Science of the US Department of Energy [DE-AC02-06CH11357] FX This work was financially supported by the National Science Foundation (Cooperative Grant NSF01 that funds the National Center for Atmospheric Research [NCAR], and grant numbers OCI-0749206, CCF-0937939, OCE-0825754, and AGS-0856145). Additional funding is provided through the Department of Energy, Office of Biological and Environmental Research (grant numbers DE-FC02-97ER62402 and DE-FC02-07ER64340) and Climate Change Prediction Program (Program Grant DE-PS02-07ER07-06) and the DOE Scientific Discovery through Advanced Computing Program (grant number DE-FG02-06ER06-04). Work on the part of AA Mirin was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory (contract number DE-AC52-07NA27344). This manuscript has been created in part by Argonne National Laboratory and the Argonne Leadership Computing Facility, which are supported by the Office of Science of the US Department of Energy (contract number DE-AC02-06CH11357). NR 22 TC 10 Z9 11 U1 0 U2 10 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD FEB PY 2012 VL 26 IS 1 BP 43 EP 53 DI 10.1177/1094342011428143 PG 11 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 899TP UT WOS:000300839500005 ER PT J AU Evans, KJ Salinger, AG Worley, PH Price, SF Lipscomb, WH Nichols, JA White, JB Perego, M Vertenstein, M Edwards, J Lemieux, JF AF Evans, Katherine J. Salinger, Andrew G. Worley, Patrick H. Price, Stephen F. Lipscomb, William H. Nichols, Jeffrey A. White, James B., III Perego, Mauro Vertenstein, Mariana Edwards, James Lemieux, Jean-Francois TI A modern solver interface to manage solution algorithms in the Community Earth System Model SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE ice-sheet applications; Earth System Model applications; iterative solution techniques; reusable libraries AB Global Earth System Models (ESMs) can now produce simulations that resolve similar to 50 km features and include finer scale, interacting physical processes. However, the current explicit algorithms that dominate production ESMs require ever-decreasing time steps in order to achieve these fine-resolution solutions, which limits time to solution even when efficiently exploiting the spatial parallelism. Solution methods that overcome these bottlenecks can be quite intricate, and there is no single set of algorithms that perform well across the range of problems of interest. This creates significant implementation challenges, which is further compounded by the complexity of ESMs. Therefore, prototyping and evaluating new algorithms in these models requires a software interface that is flexible, extensible, and easily introduced into the existing software. We describe our efforts to create a parallel solver interface that links the Trilinos collection of solver libraries to the Glimmer Community Ice Sheet Model (Glimmer-CISM), a continental ice-sheet model used in the Community Earth System Model (CESM). We demonstrate this interface within both current and developmental versions of Glimmer-CISM and provide strategies for its integration into the rest of the CESM. C1 [Evans, Katherine J.] Oak Ridge Natl Lab, Computat Earth Sci Grp, Oak Ridge, TN 37831 USA. [Worley, Patrick H.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA. [Nichols, Jeffrey A.] Oak Ridge Natl Lab, Ecosyst Sci Grp, Oak Ridge, TN 37831 USA. [Salinger, Andrew G.] Sandia Natl Labs, Ctr Res Comp, Livermore, CA 94550 USA. [Price, Stephen F.] Los Alamos Natl Lab, Climate Ocean & Sea Ice Modeling COSIM Grp, Los Alamos, NM 87545 USA. [Lipscomb, William H.] Los Alamos Natl Lab, COSIM Grp, Los Alamos, NM 87545 USA. [White, James B., III] Natl Ctr Atmospher Res, Climate Change Predict Grp, Boulder, CO USA. [Edwards, James] Natl Ctr Atmospher Res, Climate & Global Dynam Div, Boulder, CO USA. [Perego, Mauro] Florida State Univ, Dept Comp Sci, Tallahassee, FL 32306 USA. [Lemieux, Jean-Francois] NYU, New York, NY 10003 USA. RP Evans, KJ (reprint author), Oak Ridge Natl Lab, Computat Earth Sci Grp, 1 Bethel Valley Rd,POB 2008,MS 6301, Oak Ridge, TN 37831 USA. EM evanskj@ornl.gov RI Price, Stephen /E-1568-2013; OI Price, Stephen /0000-0001-6878-2553; Evans, Katherine/0000-0001-8174-6450 FU US DOE Office of Science Advanced Scientific Computing Research through the SEACISM; Los Alamos National Laboratory (LANL); National Science Foundation (NSF) [AGS-0856145]; National Nuclear Security Administration (NNSA) of the DOE [DE-AC52-06NA25396]; Office of Science of the DOE [DE-AC05-00OR22725]; US Department of Energy's NNSA [DE-AC04-94AL85000] FX This work was supported by Scientific Discovery for Advanced Computing (SciDAC) grants from the US DOE Office of Science Advanced Scientific Computing Research through the SEACISM project within the Ice Sheet Initiative for Climate Extremes and Biological and Environmental Research through the SEESM project, and by a Los Alamos National Laboratory (LANL) Director's Fellowship. Support has also been provided by the National Science Foundation (NSF) (grant AGS-0856145). The LANL is operated under the auspices of the National Nuclear Security Administration (NNSA) of the DOE under Contract No. DE-AC52-06NA25396. This research used resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the DOE under Contract No. DE-AC05-00OR22725. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the US Department of Energy's NNSA under contract DE-AC04-94AL85000. NR 17 TC 6 Z9 6 U1 0 U2 15 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 EI 1741-2846 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD FEB PY 2012 VL 26 IS 1 BP 54 EP 62 DI 10.1177/1094342011435159 PG 9 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 899TP UT WOS:000300839500006 ER PT J AU Lauritzen, PH Mirin, AA Truesdale, J Raeder, K Anderson, JL Bacmeister, J Neale, RB AF Lauritzen, Peter H. Mirin, Arthur A. Truesdale, John Raeder, Kevin Anderson, Jeffrey L. Bacmeister, Julio Neale, Richard B. TI Implementation of new diffusion/filtering operators in the CAM-FV dynamical core SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE data assimilation; divergence damping; finite volume; high-resolution climate simulation; Laplacian damping ID DATA ASSIMILATION; KALMAN FILTER; SCHEMES; MODEL AB Two new filtering/diffusion operators have been implemented in the Community Atmosphere Model finite-volume dynamical core (CAM-FV). First, a fourth-order divergence damping operator has been added to optionally replace the second-order version that has traditionally been used. This provides more scale selective dissipation of divergent modes that can generate grid-scale noise in CAM-FV if not damped properly. For example, data assimilation runs using CAM-FV DART (Data Assimilation Research Testbed) have revealed potential noise problems at the grid scale that can be alleviated significantly using higher-order divergence damping. Second, a 'Laplacian'-type damping operator has been implemented to increase the explicit momentum dissipation in the top-of-atmosphere sponge layers. This helps control the excessive polar night jets that have been observed in ultra-high-resolution CAM-FV simulations. Results from stand-alone CAM-FV and CAM-FV DART are presented in this paper along with details on the implementation of the new operators. C1 [Lauritzen, Peter H.; Neale, Richard B.] Natl Ctr Atmospher Res, Climate & Global Dynam Div, Atmospher Modeling & Predictabil Sect, Boulder, CO 80305 USA. [Mirin, Arthur A.] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Sci Comp Grp, Livermore, CA USA. [Raeder, Kevin; Anderson, Jeffrey L.] Natl Ctr Atmospher Res, Inst Math Appl Geosci, Boulder, CO 80305 USA. RP Lauritzen, PH (reprint author), Natl Ctr Atmospher Res, Climate & Global Dynam Div, Atmospher Modeling & Predictabil Sect, 1850 Table Mesa Dr, Boulder, CO 80305 USA. EM pel@ucar.edu FU National Science Foundation; U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) [DE-AC52-07NA27344] FX The National Center for Atmospheric Research is sponsored by the National Science Foundation. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory (LLNL) under Contract DE-AC52-07NA27344. Computer time on Livermore Computing's Atlas machine was provided under LLNL's Multiprogrammatic and Institutional Computing Initiative. Computing for DART experiments was provided by NSF's Climate Simulation Laboratory. NR 15 TC 12 Z9 13 U1 0 U2 6 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD FEB PY 2012 VL 26 IS 1 BP 63 EP 73 DI 10.1177/1094342011410088 PG 11 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 899TP UT WOS:000300839500007 ER PT J AU Dennis, JM Edwards, J Evans, KJ Guba, O Lauritzen, PH Mirin, AA St-Cyr, A Taylor, MA Worley, PH AF Dennis, John M. Edwards, Jim Evans, Katherine J. Guba, Oksana Lauritzen, Peter H. Mirin, Arthur A. St-Cyr, Amik Taylor, Mark A. Worley, Patrick H. TI CAM-SE: A scalable spectral element dynamical core for the Community Atmosphere Model SO INTERNATIONAL JOURNAL OF HIGH PERFORMANCE COMPUTING APPLICATIONS LA English DT Article DE atmospheric modeling; dynamical core; global circulation model; parallel scalability; spectral elements ID SHALLOW-WATER MODEL; PRIMITIVE EQUATIONS; STANDARD TEST; PERFORMANCE; GRIDS; PARAMETERIZATIONS; RESOLUTION; PLATFORM; VERSION; SCHEME AB The Community Atmosphere Model (CAM) version 5 includes a spectral element dynamical core option from NCAR's High-Order Method Modeling Environment. It is a continuous Galerkin spectral finite-element method designed for fully unstructured quadrilateral meshes. The current configurations in CAM are based on the cubed-sphere grid. The main motivation for including a spectral element dynamical core is to improve the scalability of CAM by allowing quasi-uniform grids for the sphere that do not require polar filters. In addition, the approach provides other state-of-the-art capabilities such as improved conservation properties. Spectral elements are used for the horizontal discretization, while most other aspects of the dynamical core are a hybrid of well-tested techniques from CAM's finite volume and global spectral dynamical core options. Here we first give an overview of the spectral element dynamical core as used in CAM. We then give scalability and performance results from CAM running with three different dynamical core options within the Community Earth System Model, using a pre-industrial time-slice configuration. We focus on high-resolution simulations, using 1/4 degree, 1/8 degree, and T341 spectral truncation horizontal grids. C1 [Taylor, Mark A.] Sandia Natl Labs, Computat Comp Informat & Math Ctr, Albuquerque, NM 87185 USA. [Lauritzen, Peter H.] Natl Ctr Atmospher Res, Atmospher Modeling & Predictabil Grp, Boulder, CO 80307 USA. [Evans, Katherine J.] Oak Ridge Natl Lab, Computat Earth Sci Grp, Oak Ridge, TN USA. [Worley, Patrick H.] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN USA. [Mirin, Arthur A.] Lawrence Livermore Natl Lab, Ctr Appl Sci Comp, Sci Comp Grp, Livermore, CA USA. [St-Cyr, Amik] Royal Dutch Shell, Houston, TX USA. RP Taylor, MA (reprint author), Sandia Natl Labs, Computat Comp Informat & Math Ctr, POB 5800, Albuquerque, NM 87185 USA. EM mataylo@sandia.gov OI Evans, Katherine/0000-0001-8174-6450 FU U.S. Government [DE-AC05-00OR22725, DE-AC52-07NA27344]; National Science Foundation; DOE BER SciDAC [06-13194]; U.S. Department of Energy by Lawrence Livermore National Laboratory [DE-AC52-07NA27344]; Climate and Environmental Sciences Division of the Office of Biological and Environmental Research in the Office of Science, U.S. Department of Energy [DE-AC05-00OR22725]; Office of Advanced Scientific Computing Research, in the Office of Science, U.S. Department of Energy [DE-AC05-00OR22725]; UT-Battelle, LLC; Office of Science of the U.S. Department of Energy [DE-AC05-00OR22725, DE-AC02-06CH11357] FX We thank Jamison Daniel at Oak Ridge National Laboratory for producing Figure 8. As this work has been co-authored by contractors of the U.S. Government under contracts No. DE-AC05-00OR22725 and No. DE-AC52-07NA27344, the U. S. Government retains a nonexclusive, royalty free license to publish or reproduce the published form of this contribution, or allow others to do so, for U. S. Government purposes. The National Center for Atmospheric Research is sponsored by the National Science Foundation.; This work was supported by the DOE BER SciDAC 06-13194, A Scalable and Extensible Earth System Model. Work by AAM was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344. Work by PHW and KJE was sponsored by the Climate and Environmental Sciences Division of the Office of Biological and Environmental Research and by the Office of Advanced Scientific Computing Research, both in the Office of Science, U.S. Department of Energy, under Contract No. DE-AC05-00OR22725 with UT-Battelle, LLC. This research used resources of the Argonne Leadership Computing Facility at Argonne National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under contract DE-AC02-06CH11357 and the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. NR 59 TC 86 Z9 88 U1 3 U2 21 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 1094-3420 J9 INT J HIGH PERFORM C JI Int. J. High Perform. Comput. Appl. PD FEB PY 2012 VL 26 IS 1 BP 74 EP 89 DI 10.1177/1094342011428142 PG 16 WC Computer Science, Hardware & Architecture; Computer Science, Interdisciplinary Applications; Computer Science, Theory & Methods SC Computer Science GA 899TP UT WOS:000300839500008 ER PT J AU He, ZL Piceno, Y Deng, Y Xu, MY Lu, ZM DeSantis, T Andersen, G Hobbie, SE Reich, PB Zhou, JZ AF He, Zhili Piceno, Yvette Deng, Ye Xu, Meiying Lu, Zhenmei DeSantis, Todd Andersen, Gary Hobbie, Sarah E. Reich, Peter B. Zhou, Jizhong TI The phylogenetic composition and structure of soil microbial communities shifts in response to elevated carbon dioxide SO ISME JOURNAL LA English DT Article DE soil microbial community; PhyloChip; elevated CO2; microbial composition; microbial community structure ID 16S RIBOSOMAL-RNA; RISING ATMOSPHERIC CO2; BACTERIAL DIVERSITY; NITROGEN LIMITATION; PLANT DIVERSITY; CLIMATE-CHANGE; CLONE LIBRARY; ECOSYSTEM RESPONSES; FOREST ECOSYSTEM; ANALYSIS REVEALS AB One of the major factors associated with global change is the ever-increasing concentration of atmospheric CO2. Although the stimulating effects of elevated CO2 (eCO(2)) on plant growth and primary productivity have been established, its impacts on the diversity and function of soil microbial communities are poorly understood. In this study, phylogenetic microarrays (PhyloChip) were used to comprehensively survey the richness, composition and structure of soil microbial communities in a grassland experiment subjected to two CO2 conditions (ambient, 368 p. p. m., versus elevated, 560 p. p. m.) for 10 years. The richness based on the detected number of operational taxonomic units (OTUs) significantly decreased under eCO(2). PhyloChip detected 2269 OTUs derived from 45 phyla (including two from Archaea), 55 classes, 99 orders, 164 families and 190 subfamilies. Also, the signal intensity of five phyla (Crenarchaeota, Chloroflexi, OP10, OP9/JS1, Verrucomicrobia) significantly decreased at eCO(2), and such significant effects of eCO(2) on microbial composition were also observed at the class or lower taxonomic levels for most abundant phyla, such as Proteobacteria, Firmicutes, Actinobacteria, Bacteroidetes and Acidobacteria, suggesting a shift in microbial community composition at eCO(2). Additionally, statistical analyses showed that the overall taxonomic structure of soil microbial communities was altered at eCO(2). Mantel tests indicated that such changes in species richness, composition and structure of soil microbial communities were closely correlated with soil and plant properties. This study provides insights into our understanding of shifts in the richness, composition and structure of soil microbial communities under eCO(2) and environmental factors shaping the microbial community structure. The ISME Journal (2012) 6, 259-272; doi: 10.1038/ismej.2011.99; published online 28 July 2011 C1 [He, Zhili; Deng, Ye; Xu, Meiying; Lu, Zhenmei; Zhou, Jizhong] Univ Oklahoma, Dept Bot & Microbiol, Inst Environm Genom, Norman, OK 73019 USA. [Piceno, Yvette; DeSantis, Todd; Andersen, Gary; Zhou, Jizhong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Dept Ecol, Berkeley, CA 94720 USA. [Xu, Meiying] Guangdong Inst Microbiol, Guangdong Prov Key Lab Microbial Culture Collect, Guangzhou, Guangdong, Peoples R China. [Lu, Zhenmei] Zhejiang Univ, Coll Life Sci, Hangzhou 310003, Zhejiang, Peoples R China. [Hobbie, Sarah E.] Dept Ecol Evolut & Behav, St Paul, MN USA. [Reich, Peter B.] Univ Minnesota, Dept Forest Resources, St Paul, MN USA. RP Zhou, JZ (reprint author), Univ Oklahoma, Dept Bot & Microbiol, Inst Environm Genom, Norman, OK 73019 USA. EM jzhou@ou.edu RI Deng, Ye/A-2571-2013; He, Zhili/C-2879-2012; Piceno, Yvette/I-6738-2016; Andersen, Gary/G-2792-2015; OI Piceno, Yvette/0000-0002-7915-4699; Andersen, Gary/0000-0002-1618-9827; ?, ?/0000-0002-7584-0632; Hobbie, Sarah/0000-0001-5159-031X FU United States Department of Agriculture through the NSF-USDA [2007-35319-18305]; National Science Foundation [DEB-0716587, DEB-0620652, DEB-0322057, DEB-0080382, DEB-0218039, DEB-0219104, DEB-0217631, LTREB DEB-0716587, LTER DEB-9411972]; DOE; Minnesota Environment and Natural Resources Trust [DE-FG96ER2291]; DOE through the University of California [DE-AC02-05CH11231]; DOE through Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; NIH [U01-HG004866] FX This work was supported by the United States Department of Agriculture (Project 2007-35319-18305) through the NSF-USDA Microbial Observatories Program; the National Science Foundation under DEB-0716587, DEB-0620652, DEB-0322057, DEB-0080382, DEB-0218039, DEB-0219104, DEB-0217631, DEB-0716587, LTREB DEB-0716587 and LTER DEB-9411972 projects; the DOE Program for Ecosystem Research; the Minnesota Environment and Natural Resources Trust Fund (DE-FG96ER2291) and the DOE under contract DE-AC02-05CH11231 through the University of California and Lawrence Berkeley National Laboratory; and by NIH Grant U01-HG004866. NR 91 TC 37 Z9 44 U1 4 U2 81 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1751-7362 J9 ISME J JI ISME J. PD FEB PY 2012 VL 6 IS 2 BP 259 EP 272 DI 10.1038/ismej.2011.99 PG 14 WC Ecology; Microbiology SC Environmental Sciences & Ecology; Microbiology GA 901RJ UT WOS:000300984200005 PM 21796217 ER PT J AU Gilbert, JA Steele, JA Caporaso, JG Steinbrueck, L Reeder, J Temperton, B Huse, S McHardy, AC Knight, R Joint, I Somerfield, P Fuhrman, JA Field, D AF Gilbert, Jack A. Steele, Joshua A. Caporaso, J. Gregory Steinbrueck, Lars Reeder, Jens Temperton, Ben Huse, Susan McHardy, Alice C. Knight, Rob Joint, Ian Somerfield, Paul Fuhrman, Jed A. Field, Dawn TI Defining seasonal marine microbial community dynamics SO ISME JOURNAL LA English DT Article DE 16S rRNA; microbial; bacteria; community; diversity; model ID RIBOSOMAL-RNA SEQUENCES; WESTERN ENGLISH-CHANNEL; BACTERIAL COMMUNITIES; RARE BIOSPHERE; DIVERSITY; TEMPERATURE; ATLANTIC; TAXONOMY; DATABASE; PACIFIC AB Here we describe, the longest microbial time-series analyzed to date using high-resolution 16S rRNA tag pyrosequencing of samples taken monthly over 6 years at a temperate marine coastal site off Plymouth, UK. Data treatment effected the estimation of community richness over a 6-year period, whereby 8794 operational taxonomic units (OTUs) were identified using single-linkage preclustering and 21 130 OTUs were identified by denoising the data. The Alphaproteobacteria were the most abundant Class, and the most frequently recorded OTUs were members of the Rickettsiales (SAR 11) and Rhodobacteriales. This near-surface ocean bacterial community showed strong repeatable seasonal patterns, which were defined by winter peaks in diversity across all years. Environmental variables explained far more variation in seasonally predictable bacteria than did data on protists or metazoan biomass. Change in day length alone explains >65% of the variance in community diversity. The results suggested that seasonal changes in environmental variables are more important than trophic interactions. Interestingly, microbial association network analysis showed that correlations in abundance were stronger within bacterial taxa rather than between bacteria and eukaryotes, or between bacteria and environmental variables. The ISME Journal (2012) 6, 298-308; doi: 10.1038/ismej.2011.107; published online 18 August 2011 C1 [Gilbert, Jack A.] Argonne Natl Lab, Inst Genom & Syst Biol, Argonne, IL 60439 USA. [Gilbert, Jack A.; Temperton, Ben; Joint, Ian; Somerfield, Paul] Plymouth Marine Lab, Plymouth, Devon, England. [Gilbert, Jack A.] Univ Chicago, Dept Ecol & Evolut, Chicago, IL 60637 USA. [Steele, Joshua A.; Fuhrman, Jed A.] Univ So Calif, Dept Biol Sci, Los Angeles, CA 90089 USA. [Caporaso, J. Gregory; Reeder, Jens; Knight, Rob] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. [Steinbrueck, Lars; McHardy, Alice C.] Univ Dusseldorf, Dept Algorithm Bioinformat, D-40225 Dusseldorf, Germany. [Huse, Susan] Marine Biol Lab, Josephine Bay Paul Ctr Comparat Mol Biol & Evolut, Woods Hole, MA USA. [McHardy, Alice C.] Max Planck Res Grp Computat Genom & Epidemiol, Max Planck Inst Informat, Saarbrucken, Germany. [Knight, Rob] Univ Colorado, Howard Hughes Med Inst, Boulder, CO 80309 USA. [Field, Dawn] NERC Ctr Ecol & Hydrol, Wallingford, Oxon, England. RP Gilbert, JA (reprint author), Argonne Natl Lab, Inst Genom & Syst Biol, 9700 S Cass Ave, Argonne, IL 60439 USA. EM gilbertjack@anl.gov RI Fuhrman, Jed/C-6461-2013; Somerfield, Paul/J-9189-2014; Knight, Rob/D-1299-2010; OI Somerfield, Paul/0000-0002-7581-5621; Steele, Joshua/0000-0001-8023-8956 FU US Deptartment of Energy [DE-AC02-06CH11357]; NSF [0703159]; Sloan Foundation (ICoMM) FX We would like to thank Dr KR Clarke for providing extensive expertize in statistical modelling, and Margaret Hughes for providing the pyrosequencing technical support. All sequencing data and environmental metadata can be found in the INSDC SRA under ERP000118 (http://www.ebi.ac.uk/ena/data/view/ERP000118). This work was supported in part by the US Deptartment of Energy under Contract DE-AC02-06CH11357. JAF and JAS were supported by NSF Grant 0703159 and JAS and SH by the Sloan Foundation (ICoMM). NR 27 TC 251 Z9 259 U1 11 U2 216 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1751-7362 EI 1751-7370 J9 ISME J JI ISME J. PD FEB PY 2012 VL 6 IS 2 BP 298 EP 308 DI 10.1038/ismej.2011.107 PG 11 WC Ecology; Microbiology SC Environmental Sciences & Ecology; Microbiology GA 901RJ UT WOS:000300984200008 PM 21850055 ER PT J AU Trivedi, P He, ZL Van Nostrand, JD Albrigo, G Zhou, JZ Wang, N AF Trivedi, Pankaj He, Zhili Van Nostrand, Joy D. Albrigo, Gene Zhou, Jizhong Wang, Nian TI Huanglongbing alters the structure and functional diversity of microbial communities associated with citrus rhizosphere SO ISME JOURNAL LA English DT Article DE Candidatus Liberibacter asiaticus; ecosystem functioning; GeoChip 3.0; huanglongbing; microbial diversity; nutrient cycling ID BACTERIAL COMMUNITIES; DIAZOTROPH COMMUNITY; MICROARRAY ANALYSES; FUNGAL DIVERSITY; ANALYSIS REVEALS; SOIL; DISEASE; PLANTS; ROOTS; RHIZODEPOSITS AB The diversity and stability of bacterial communities present in the rhizosphere heavily influence soil and plant quality and ecosystem sustainability. The goal of this study is to understand how 'Candidatus Liberibacter asiaticus' (known to cause Huanglongbing, HLB) influences the structure and functional potential of microbial communities associated with the citrus rhizosphere. Clone library sequencing and taxon/group-specific quantitative real-time PCR results showed that 'Ca. L. asiaticus' infection restructured the native microbial community associated with citrus rhizosphere. Within the bacterial community, phylum Proteobacteria with various genera typically known as successful rhizosphere colonizers were significantly greater in clone libraries from healthy samples, whereas phylum Acidobacteria, Actinobacteria and Firmicutes, typically more dominant in the bulk soil were higher in 'Ca. L. asiaticus'-infected samples. A comprehensive functional microarray GeoChip 3.0 was used to determine the effects of 'Ca. L. asiaticus' infection on the functional diversity of rhizosphere microbial communities. GeoChip analysis showed that HLB disease has significant effects on various functional guilds of bacteria. Many genes involved in key ecological processes such as nitrogen cycling, carbon fixation, phosphorus utilization, metal homeostasis and resistance were significantly greater in healthy than in the 'Ca. L. asiaticus'-infected citrus rhizosphere. Our results showed that the microbial community of the 'Ca. L. asiaticus'-infected citrus rhizosphere has shifted away from using more easily degraded sources of carbon to the more recalcitrant forms. Overall, our study provides evidence that the change in plant physiology mediated by 'Ca. L. asiaticus' infection could elicit shifts in the composition and functional potential of rhizosphere microbial communities. In the long term, these fluctuations might have important implications for the productivity and sustainability of citrus-producing agro-ecosystems. The ISME Journal (2012) 6, 363-383; doi: 10.1038/ismej.2011.100; published online 28 July 2011 C1 [Trivedi, Pankaj; Wang, Nian] Univ Florida, Ctr Citrus Res & Educ, Dept Microbiol & Cell Sci, Lake Alfred, FL 33850 USA. [He, Zhili; Van Nostrand, Joy D.; Zhou, Jizhong] Univ Oklahoma, Dept Bot & Microbiol, Inst Environm Genom, Norman, OK 73019 USA. [He, Zhili; Van Nostrand, Joy D.; Zhou, Jizhong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Albrigo, Gene] Univ Florida, Ctr Citrus Res & Educ, Dept Hort Sci, Lake Alfred, FL USA. RP Wang, N (reprint author), Univ Florida, Ctr Citrus Res & Educ, Dept Microbiol & Cell Sci, 700 Expt Stn Rd, Lake Alfred, FL 33850 USA. EM nianwang@crec.ifas.ufl.edu RI Jia, Li/F-6928-2012; He, Zhili/C-2879-2012; Van Nostrand, Joy/F-1740-2016 OI Van Nostrand, Joy/0000-0001-9548-6450 FU United States Department of Agriculture through NSF-USDA [2007-35319-18305] FX This study was partially supported by the United States Department of Agriculture (Project 2007-35319-18305) through NSF-USDA Microbial Observatories Program. NR 82 TC 36 Z9 41 U1 11 U2 75 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1751-7362 J9 ISME J JI ISME J. PD FEB PY 2012 VL 6 IS 2 BP 363 EP 383 DI 10.1038/ismej.2011.100 PG 21 WC Ecology; Microbiology SC Environmental Sciences & Ecology; Microbiology GA 901RJ UT WOS:000300984200014 PM 21796220 ER PT J AU Men, YJ Feil, H VerBerkmoes, NC Shah, MB Johnson, DR Lee, PKH West, KA Zinder, SH Andersen, GL Alvarez-Cohen, L AF Men, Yujie Feil, Helene VerBerkmoes, Nathan C. Shah, Manesh B. Johnson, David R. Lee, Patrick K. H. West, Kimberlee A. Zinder, Stephen H. Andersen, Gary L. Alvarez-Cohen, Lisa TI Sustainable syntrophic growth of Dehalococcoides ethenogenes strain 195 with Desulfovibrio vulgaris Hildenborough and Methanobacterium congolense: global transcriptomic and proteomic analyses SO ISME JOURNAL LA English DT Article DE Dehalococcoides; syntrophy; chlorinated ethenes; microarray; proteomics; bioremediation ID ANAEROBIC ENRICHMENT CULTURE; REDUCTIVE DECHLORINATION; VINYL-CHLORIDE; METHANOGENIC CONDITIONS; METHANOSARCINA-BARKERI; MICROARRAY ANALYSIS; FRAPPIERI TCE1; MIXED CULTURE; TETRACHLOROETHENE; HYDROGEN AB Dehalococcoides ethenogenes strain 195 (DE195) was grown in a sustainable syntrophic association with Desulfovibrio vulgaris Hildenborough (DVH) as a co-culture, as well as with DVH and the hydrogenotrophic methanogen Methanobacterium congolense (MC) as a tri-culture using lactate as the sole energy and carbon source. In the co- and tri-cultures, maximum dechlorination rates of DE195 were enhanced by approximately three times (11.0 +/- 0.01 mu mol per day for the co-culture and 10.1 +/- 0.3 mu mol per day for the tri-culture) compared with DE195 grown alone (3.8 +/- 0.1 mu mol per day). Cell yield of DE195 was enhanced in the co-culture (9.0 +/- 0.5 x 10(7) cells per mu mol Cl- released, compared with 6.8 +/- 0.9 x 10(7) cells per mu mol Cl- released for the pure culture), whereas no further enhancement was observed in the tri-culture (7.3 +/- 1.8 x 10(7) cells per mu mol Cl- released). The transcriptome of DE195 grown in the co-culture was analyzed using a whole-genome microarray targeting DE195, which detected 102 significantly up-or down-regulated genes compared with DE195 grown in isolation, whereas no significant transcriptomic difference was observed between co-and tri-cultures. Proteomic analysis showed that 120 proteins were differentially expressed in the co-culture compared with DE195 grown in isolation. Physiological, transcriptomic and proteomic results indicate that the robust growth of DE195 in co-and tri-cultures is because of the advantages associated with the capabilities of DVH to ferment lactate to provide H-2 and acetate for growth, along with potential benefits from proton translocation, cobalamin-salvaging and amino acid biosynthesis, whereas MC in the tri-culture provided no significant additional benefits beyond those of DVH. The ISME Journal (2012) 6, 410-421; doi: 10.1038/ismej. 2011.111; published online 1 September 2011 C1 [Men, Yujie; Feil, Helene; Johnson, David R.; Lee, Patrick K. H.; West, Kimberlee A.; Alvarez-Cohen, Lisa] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [VerBerkmoes, Nathan C.; Shah, Manesh B.] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN USA. [Zinder, Stephen H.] Cornell Univ, Dept Microbiol, Ithaca, NY USA. [Andersen, Gary L.; Alvarez-Cohen, Lisa] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Johnson, David R.] Swiss Fed Inst Aquat Sci & Technol Eawag, Dept Environm Microbiol, CH-8600 Dubendorf, Switzerland. RP Alvarez-Cohen, L (reprint author), Univ Calif Berkeley, Dept Civil & Environm Engn, 760 Davis Hall, Berkeley, CA 94720 USA. EM alvarez@ce.berkeley.edu RI Andersen, Gary/G-2792-2015; Lee, Patrick K H/L-1844-2016 OI Andersen, Gary/0000-0002-1618-9827; Lee, Patrick K H/0000-0003-0911-5317 NR 49 TC 27 Z9 27 U1 8 U2 53 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1751-7362 EI 1751-7370 J9 ISME J JI ISME J. PD FEB PY 2012 VL 6 IS 2 BP 410 EP 421 DI 10.1038/ismej.2011.111 PG 12 WC Ecology; Microbiology SC Environmental Sciences & Ecology; Microbiology GA 901RJ UT WOS:000300984200017 PM 21881617 ER PT J AU Lu, ZM Deng, Y Van Nostrand, JD He, ZL Voordeckers, J Zhou, AF Lee, YJ Mason, OU Dubinsky, EA Chavarria, KL Tom, LM Fortney, JL Lamendella, R Jansson, JK D'haeseleer, P Hazen, TC Zhou, JZ AF Lu, Zhenmei Deng, Ye Van Nostrand, Joy D. He, Zhili Voordeckers, James Zhou, Aifen Lee, Yong-Jin Mason, Olivia U. Dubinsky, Eric A. Chavarria, Krystle L. Tom, Lauren M. Fortney, Julian L. Lamendella, Regina Jansson, Janet K. D'haeseleer, Patrik Hazen, Terry C. Zhou, Jizhong TI Microbial gene functions enriched in the Deepwater Horizon deep-sea oil plume SO ISME JOURNAL LA English DT Article DE oil spill; deep-sea plume; microbial community; metagenomics; functional gene arrays; GeoChip ID PETROLEUM RESERVOIRS; BIODEGRADATION; SUBSURFACE; BACTERIA; DEGRADATION; SPILL; MICROORGANISMS; HYDROCARBONS; POLLUTANTS; IRON AB The Deepwater Horizon oil spill in the Gulf of Mexico is the deepest and largest offshore spill in the United State history and its impacts on marine ecosystems are largely unknown. Here, we showed that the microbial community functional composition and structure were dramatically altered in a deep-sea oil plume resulting from the spill. A variety of metabolic genes involved in both aerobic and anaerobic hydrocarbon degradation were highly enriched in the plume compared with outside the plume, indicating a great potential for intrinsic bioremediation or natural attenuation in the deep sea. Various other microbial functional genes that are relevant to carbon, nitrogen, phosphorus, sulfur and iron cycling, metal resistance and bacteriophage replication were also enriched in the plume. Together, these results suggest that the indigenous marine microbial communities could have a significant role in biodegradation of oil spills in deep-sea environments. The ISME Journal (2012) 6, 451-460; doi: 10.1038/ismej.2011.91; published online 4 August 2011 C1 [Lu, Zhenmei; Deng, Ye; Van Nostrand, Joy D.; He, Zhili; Voordeckers, James; Zhou, Aifen; Lee, Yong-Jin; Zhou, Jizhong] Univ Oklahoma, Dept Bot & Microbiol, Inst Environm Genom, Norman, OK 73019 USA. [Lu, Zhenmei] Zhejiang Univ, Coll Life Sci, Hangzhou 310003, Zhejiang, Peoples R China. [Mason, Olivia U.; Dubinsky, Eric A.; Chavarria, Krystle L.; Tom, Lauren M.; Fortney, Julian L.; Lamendella, Regina; Jansson, Janet K.; D'haeseleer, Patrik; Hazen, Terry C.; Zhou, Jizhong] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94720 USA. [Zhou, Jizhong] Tsinghua Univ, Dept Environm Sci & Engn, Beijing 100084, Peoples R China. RP Zhou, JZ (reprint author), Univ Oklahoma, Dept Bot & Microbiol, Inst Environm Genom, Norman, OK 73019 USA. EM jzhou@ou.edu RI Deng, Ye/A-2571-2013; He, Zhili/C-2879-2012; Dubinsky, Eric/D-3787-2015; Tom, Lauren/E-9739-2015; Van Nostrand, Joy/F-1740-2016; Hazen, Terry/C-1076-2012; OI Dubinsky, Eric/0000-0002-9420-6661; Van Nostrand, Joy/0000-0001-9548-6450; Hazen, Terry/0000-0002-2536-9993; D'haeseleer, Patrik/0000-0003-0007-8150; ?, ?/0000-0002-7584-0632 FU US Department of Energy, Office of Science, Office of Biological and Environmental Research, Genomics [DE-AC02-05CH11231]; Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; US Department of Energy [DE-AC02-05CH11231]; University of Oklahoma Research Foundation; National Key Science and Technology Project of China: Water Pollution Control and Treatment [2008ZX07101-006]; Natural Science Foundation of Zhejiang Province [R5080124]; National Key Technologies Research and Development Program of China [2006BAJ08B01] FX We thank the Captain, crew and science teams aboard the R/V Ocean Veritas and R/V Brooks McCall. This work was part of ENIGMA, a Scientific Focus Area Program supported by the US Department of Energy, Office of Science, Office of Biological and Environmental Research, Genomics: GTL Foundational Science through Contract DE-AC02-05CH11231 between Lawrence Berkeley National Laboratory and the US Department of Energy. This study was also supported by University of Oklahoma Research Foundation, the National Key Science and Technology Project of China: Water Pollution Control and Treatment (No. 2008ZX07101-006), the Natural Science Foundation of Zhejiang Province (No. R5080124) and the National Key Technologies Research and Development Program of China during the 11th Five-Year Plan Period (No. 2006BAJ08B01). NR 36 TC 109 Z9 114 U1 20 U2 197 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 1751-7362 J9 ISME J JI ISME J. PD FEB PY 2012 VL 6 IS 2 BP 451 EP 460 DI 10.1038/ismej.2011.91 PG 10 WC Ecology; Microbiology SC Environmental Sciences & Ecology; Microbiology GA 901RJ UT WOS:000300984200021 PM 21814288 ER PT J AU Musaev, OR Sutter, EA Wrobel, JM Kruger, MB AF Musaev, Omar R. Sutter, Eli A. Wrobel, Jerzy M. Kruger, Michael B. TI Au, Ge, and AuGe nanoparticles fabricated by laser ablation SO JOURNAL OF NANOPARTICLE RESEARCH LA English DT Article DE Laser ablation; Nanoparticles; AuGe alloy; Phase explosion; Electron microscopy ID GOLD NANOPARTICLES; AQUEOUS-SOLUTION; PULSED-LASER; WATER; SPECTROSCOPY; SURFACTANT; LIQUIDS; CLUSTER AB A eutectic AuGe target immersed in distilled water was ablated by pulsed ultraviolet laser light. The structure of the ablated material was investigated by high-resolution transmission electron microscopy (HRTEM). The images show formation of nanowire structures of AuGe up to 100 nm in length, with widths of 5-10 nm. These nanostructures have Ge content significantly lower than the target material. Electron diffraction demonstrates that they crystallize in the alpha-AuGe structure. For comparison, laser ablation of pure Au and pure Ge targets was also performed under the same conditions. HRTEM shows that Ge forms spherical nanoparticles with a characteristic size of similar to 30 nm. Au forms spherical nanoparticles with diameters of similar to 10 nm. Similar to AuGe, it also forms chainlike structures with substantially lower aspect ratio. C1 [Musaev, Omar R.; Wrobel, Jerzy M.; Kruger, Michael B.] Univ Missouri, Dept Phys, Kansas City, MO 64110 USA. [Sutter, Eli A.] Brookhaven Natl Lab, Ctr Funct Nanomat, Upton, NY 11973 USA. RP Musaev, OR (reprint author), Univ Missouri, Dept Phys, 5100 Rockhill Rd, Kansas City, MO 64110 USA. EM musaevo@umkc.edu; esutter@bnl.gov; wrobelj@umkc.edu; krugerm@umkc.edu FU NSF [DMR-0605493, DMR-0923166]; U.S. Department of Energy, Office of Basic Energy Sciences [DE-AC02-98CH10886] FX This study was partially supported by NSF Contract Nos. DMR-0605493 and DMR-0923166. Research carried out in part at the Center for Functional Nanomaterials, Brookhaven National Laboratory, which is supported by the U.S. Department of Energy, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. NR 33 TC 8 Z9 8 U1 0 U2 22 PU SPRINGER PI DORDRECHT PA VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS SN 1388-0764 J9 J NANOPART RES JI J. Nanopart. Res. PD FEB PY 2012 VL 14 IS 2 AR 654 DI 10.1007/s11051-011-0654-y PG 6 WC Chemistry, Multidisciplinary; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Chemistry; Science & Technology - Other Topics; Materials Science GA 895RY UT WOS:000300515200003 ER PT J AU Carrascosa, JL Glaeser, RM AF Carrascosa, Jose L. Glaeser, Robert M. TI Focused issue on X-ray microscopy of biological materials SO JOURNAL OF STRUCTURAL BIOLOGY LA English DT Editorial Material C1 [Carrascosa, Jose L.] CSIC, Ctr Nacl Biotecnol, Dept Struct Macromol, Madrid 28049, Spain. [Glaeser, Robert M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Carrascosa, JL (reprint author), CSIC, Ctr Nacl Biotecnol, Dept Struct Macromol, Campus Cantoblanco,C Darwin 3, Madrid 28049, Spain. EM jlcarras@cnb.csic.es NR 0 TC 0 Z9 0 U1 1 U2 6 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1047-8477 J9 J STRUCT BIOL JI J. Struct. Biol. PD FEB PY 2012 VL 177 IS 2 BP 177 EP 178 DI 10.1016/j.jsb.2012.01.007 PG 2 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA 898PX UT WOS:000300755400001 PM 22270178 ER PT J AU Hanssen, E Knoechel, C Dearnley, M Dixon, MWA Le Gros, M Larabell, C Tilley, L AF Hanssen, Eric Knoechel, Christian Dearnley, Megan Dixon, Matthew W. A. Le Gros, Mark Larabell, Carolyn Tilley, Leann TI Soft X-ray microscopy analysis of cell volume and hemoglobin content in erythrocytes infected with asexual and sexual stages of Plasmodium falciparum SO JOURNAL OF STRUCTURAL BIOLOGY LA English DT Article DE Plasmodium; Tomography; X-ray; Hemoglobin; Gametocyte ID RED-BLOOD-CELLS; MALARIA PARASITE; TOMOGRAPHY; GAMETOCYTES; HOST; GAMETOCYTOGENESIS; RESOLUTION; DIGESTION; MEMBRANE; SYNCHRONIZATION AB Plasmodium falciparum, the most virulent agent of human malaria, undergoes both asexual cycling and sexual differentiation inside erythrocytes. As the intraerythrocytic parasite develops it increases in size and alters the permeability of the host cell plasma membrane. An intriguing question is: how is the integrity of the host erythrocyte maintained during the intraerythrocytic cycle? We have used water window cryo X-ray tomography to determine cell morphology and hemoglobin content at different stages of asexual and sexual differentiation. The cryo stabilization preserves native structure permitting accurate analyses of parasite and host cell volumes. Absorption of soft X-rays by protein adheres to Beer-Lambert's law permitting quantitation of the concentration of hemoglobin in the host cell compartment. During asexual development the volume of the parasite reaches about 50% of the uninfected erythrocyte volume but the infected erythrocyte volume remains relatively constant. The total hemoglobin content gradually decreases during the 48 h cycle but its concentration remains constant until early trophozoite stage, decreases by 25%, then remains constant again until just prior to rupture. During early sexual development the gametocyte has a similar morphology to a trophozoite but then undergoes a dramatic shape change. Our cryo X-ray tomography analysis reveals that about 70% of the host cell hemoglobin is taken up and digested during gametocyte development and the parasite eventually occupies about 50% of the uninfected erythrocyte volume. The total volume of the infected erythrocyte remains constant, apart from some reversible shrinkage at stage IV, while the concentration of hemoglobin decreases to about 70% of that in an uninfected erythrocyte. (C) 2011 Elsevier Inc. All rights reserved. C1 [Hanssen, Eric] Univ Melbourne, Electron Microscopy Unit, Mol Sci & Biotechnol Inst Bio21, Melbourne, Vic 3010, Australia. [Hanssen, Eric] Univ Melbourne, Electron Microscopy Unit, Inst Bio21, ARC Ctr Excellence Coherent Xray Sci, Melbourne, Vic 3010, Australia. [Knoechel, Christian; Le Gros, Mark; Larabell, Carolyn] Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA USA. [Dearnley, Megan; Dixon, Matthew W. A.; Tilley, Leann] La Trobe Univ, Dept Biochem, Bundoora, Vic 3086, Australia. [Dearnley, Megan; Dixon, Matthew W. A.; Tilley, Leann] ARC Ctr Excellence Coherent Xray Sci, Bundoora, Vic 3086, Australia. [Dearnley, Megan; Dixon, Matthew W. A.; Tilley, Leann] Univ Melbourne, Dept Biochem & Mol Biol, Mol Sci & Biotechnol Inst Bio21, Melbourne, Vic 3010, Australia. [Larabell, Carolyn] Univ Calif San Francisco, Dept Anat, San Francisco, CA 94143 USA. RP Hanssen, E (reprint author), Univ Melbourne, Electron Microscopy Unit, Inst Bio21, ARC Ctr Excellence Coherent Xray Sci, 30 Flemington Rd, Melbourne, Vic 3010, Australia. EM ehanssen@unimelb.edu.au RI Dixon, Matthew/A-2412-2009; Hanssen, Eric/A-7217-2013 OI Hanssen, Eric/0000-0002-4064-1844 FU Australian Academy of Science; Australian Synchrotron; Australian Research Council; Australian National Health and Medical Research Council; US Department of Energy, Office of Biological and Environmental Research [DE-AC02-05CH11231]; National Center for Research Resources of the National Institutes of Health [RR019664]; US Department of Energy, Office of Science FX The authors acknowledge support from the Australian Academy of Science, the Australian Synchrotron, the Australian Research Council and the Australian National Health and Medical Research Council, the US Department of Energy, Office of Biological and Environmental Research (DE-AC02-05CH11231), the National Center for Research Resources of the National Institutes of Health (RR019664). Use of the Advanced Light Source was supported by the US Department of Energy, Office of Science. We thank Sam Deed and Rosanne Boudreau for technical support and Dr Richard Allen, Australian National University, for useful discussions. NR 57 TC 49 Z9 49 U1 2 U2 24 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1047-8477 J9 J STRUCT BIOL JI J. Struct. Biol. PD FEB PY 2012 VL 177 IS 2 BP 224 EP 232 DI 10.1016/j.jsb.2011.09.003 PG 9 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA 898PX UT WOS:000300755400006 PM 21945653 ER PT J AU Parkinson, DY Knoechel, C Yang, C Larabell, CA Le Gros, MA AF Parkinson, Dilworth Y. Knoechel, Christian Yang, Chao Larabell, Carolyn A. Le Gros, Mark A. TI Automatic alignment and reconstruction of images for soft X-ray tomography SO JOURNAL OF STRUCTURAL BIOLOGY LA English DT Article DE 3D imaging; Image processing ID FIDUCIAL-LESS ALIGNMENT; MARKER-FREE ALIGNMENT; ELECTRON TOMOGRAPHY; ORIENTATION REFINEMENT; TILT-SERIES; MICROSCOPY; RESOLUTION; PACKAGE; VISUALIZATION; PROTEIN AB Soft X-ray tomography (SXT) is a powerful imaging technique that generates quantitative, 3D images of the structural organization of whole cells in a near-native state. SXT is also a high-throughput imaging technique. At the National Center for X-ray Tomography (NCXT), specimen preparation and image collection for tomographic reconstruction of a whole cell require only minutes. Aligning and reconstructing the data, however, take significantly longer. Here we describe a new component of the high throughput computational pipeline used for processing data at the NCXT. We have developed a new method for automatic alignment of projection images that does not require fiducial markers or manual interaction with the software. This method has been optimized for SXT data sets, which routinely involve full rotation of the specimen. This software gives users of the NCXT SXT instrument a new capability - virtually real-time initial 3D results during an imaging experiment, which can later be further refined. The new code, Automatic Reconstruction 3D (AREC3D), is also fast, reliable, and robust. The fundamental architecture of the code is also adaptable to high performance GPU processing, which enables significant improvements in speed and fidelity. (C) 2011 Elsevier Inc. All rights reserved. C1 [Knoechel, Christian; Larabell, Carolyn A.] Univ Calif San Francisco, Dept Anat, San Francisco, CA 94143 USA. [Parkinson, Dilworth Y.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. [Yang, Chao] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Computat Res Div, Berkeley, CA 94720 USA. [Larabell, Carolyn A.; Le Gros, Mark A.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. RP Larabell, CA (reprint author), Univ Calif San Francisco, Dept Anat, 1550 4th St,Box 2722, San Francisco, CA 94143 USA. EM carolyn.larabell@ucsf.edu RI Parkinson, Dilworth/A-2974-2015 OI Parkinson, Dilworth/0000-0002-1817-0716 FU Department of Energy Office of Biological and Environmental Research [DE-AC02-05CH11231]; NIH National Center for Research Resources [RR019664] FX This work was funded by the Department of Energy Office of Biological and Environmental Research Grant DE-AC02-05CH11231 and the NIH National Center for Research Resources Grant RR019664. NR 41 TC 18 Z9 18 U1 1 U2 24 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1047-8477 J9 J STRUCT BIOL JI J. Struct. Biol. PD FEB PY 2012 VL 177 IS 2 BP 259 EP 266 DI 10.1016/j.jsb.2011.11.027 PG 8 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA 898PX UT WOS:000300755400010 PM 22155289 ER PT J AU Ahmed, A Whitford, PC Sanbonmatsu, KY Tama, F AF Ahmed, Aqeel Whitford, Paul C. Sanbonmatsu, Karissa Y. Tama, Florence TI Consensus among flexible fitting approaches improves the interpretation of cryo-EM data SO JOURNAL OF STRUCTURAL BIOLOGY LA English DT Article DE Flexible fitting; Rigid fitting; X-ray structure; Electron microscopy; Protein Data Bank ID ELECTRON-DENSITY MAPS; NORMAL-MODE CALCULATIONS; REAL-SPACE REFINEMENT; X-RAY CRYSTALLOGRAPHY; CRYOELECTRON MICROSCOPY; LOW-RESOLUTION; MOLECULAR-DYNAMICS; ATOMIC STRUCTURES; ESCHERICHIA-COLI; TRANSFER-RNA AB Cryo-elecron microscopy (cryo-EM) can provide important structural information of large macromolecular assemblies in different conformational states. Recent years have seen an increase in structures deposited in the Protein Data Bank (PDB) by fitting a high-resolution structure into its low-resolution cryo-EM map. A commonly used protocol for accommodating the conformational changes between the X-ray structure and the cryo-EM map is rigid body fitting of individual domains. With the emergence of different flexible fitting approaches, there is a need to compare and revise these different protocols for the fitting. We have applied three diverse automated flexible fitting approaches on a protein dataset for which rigid domain fitting (RDF) models have been deposited in the PDB. In general, a consensus is observed in the conformations, which indicates a convergence from these theoretically different approaches to the most probable solution corresponding to the cryo-EM map. However, the result shows that the convergence might not be observed for proteins with complex conformational changes or with missing densities in cryo-EM map. In contrast, RDF structures deposited in the PDB can represent conformations that not only differ from the consensus obtained by flexible fitting but also from X-ray crystallography. Thus, this study emphasizes that a "consensus" achieved by the use of several automated flexible fitting approaches can provide a higher level of confidence in the modeled configurations. Following this protocol not only increases the confidence level of fitting, but also highlights protein regions with uncertain fitting. Hence, this protocol can lead to better interpretation of cryo-EM data. (C) 2011 Elsevier Inc. All rights reserved. C1 [Ahmed, Aqeel; Tama, Florence] Univ Arizona, Dept Chem & Biochem, Tucson, AZ 85721 USA. [Whitford, Paul C.; Sanbonmatsu, Karissa Y.] Los Alamos Natl Lab, Theoret Biol & Biophys Grp, Div Theoret, Los Alamos, NM 87545 USA. RP Tama, F (reprint author), Univ Arizona, Dept Chem & Biochem, 1041 E Lowell St, Tucson, AZ 85721 USA. EM aqeel@email.arizona.edu; whitford@lanl.gov; kys@lanl.gov; ftama@u.arizona.edu RI Tama, Florence/A-7077-2016 OI Tama, Florence/0000-0003-2021-5618 FU National Science Foundation [0744732]; LANL LDRD; NIH [R01GM072686]; LANL FX We thank Dr. Steve Harvey for making the YUP.SCX Program available to us. Financial support from National Science Foundation Grant 0744732 (Molecular Cellular and Biosciences) to F. Tama is greatly appreciated. This work was also supported by the LANL LDRD Program and NIH Grant R01GM072686. P.C. Whitford is funded by a LANL Director's Postdoctoral Fellowship. NR 72 TC 14 Z9 14 U1 0 U2 9 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 1047-8477 J9 J STRUCT BIOL JI J. Struct. Biol. PD FEB PY 2012 VL 177 IS 2 BP 561 EP 570 DI 10.1016/j.jsb.2011.10.002 PG 10 WC Biochemistry & Molecular Biology; Biophysics; Cell Biology SC Biochemistry & Molecular Biology; Biophysics; Cell Biology GA 898PX UT WOS:000300755400043 PM 22019767 ER PT J AU Wolf, SA Kresin, VZ AF Wolf, S. A. Kresin, V. Z. TI Ordering of Dopants and Potential Increase in T-c to Near-room Temperature SO JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM LA English DT Article DE Cuprate superconductors; Dopants; Near-room temperature Tc ID SUPERCONDUCTIVITY; PRESSURE; STATE AB This paper describes a novel method to increase the resistive T (c) of cuprate superconductors to values approaching room temperature. The method is based on our analysis of the inhomogeneous superconducting state for the "pseudogap" region and on the interplay of doping and pair-breaking phenomena. What we propose involves specific ordering of the dopants that leads to the formation of regions that can carry a supercurrent at high temperatures. C1 [Wolf, S. A.] Univ Virginia, Dept Phys, Charlottesville, VA 22904 USA. [Wolf, S. A.] Univ Virginia, Dept Mat Sci & Engn, Charlottesville, VA 22904 USA. [Wolf, S. A.] Off Assistant Secretary Def Res & Engn, Arlington, VA 22203 USA. [Kresin, V. Z.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Wolf, SA (reprint author), Univ Virginia, Dept Phys, Charlottesville, VA 22904 USA. EM saw6b@virginia.edu FU Office of the Assistant Secretary of Defense for Research and Engineering (ASDRE); AFOSR FX The work of SAW is supported by The Office of the Assistant Secretary of Defense for Research and Engineering (ASDRE). The work of VZK is supported by AFOSR. NR 27 TC 3 Z9 3 U1 1 U2 10 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1557-1939 J9 J SUPERCOND NOV MAGN JI J. Supercond. Nov. Magn PD FEB PY 2012 VL 25 IS 2 BP 165 EP 167 DI 10.1007/s10948-011-1363-6 PG 3 WC Physics, Applied; Physics, Condensed Matter SC Physics GA 899BF UT WOS:000300786300005 ER PT J AU Kresin, VZ Wolf, SA AF Kresin, Vladimir Z. Wolf, Stuart A. TI Inhomogeneous Superconducting State and Intrinsic T-c: Near Room Temperature Superconductivity in the Cuprates SO JOURNAL OF SUPERCONDUCTIVITY AND NOVEL MAGNETISM LA English DT Review DE Pseudogap: Intrinsic critical temperature; Inhomogeneity; Diamagnetism; Percolation ID PSEUDOGAP; BI2SR2CACU2O8+DELTA; PRECURSOR; LOCKING; ARRAYS AB Doped cuprates are inhomogeneous superconductors. The concept of an intrinsic critical temperature, T-intr.(c) equivalent to T-c*, whose value greatly exceeds that for the resistive T-res.(c) equivalent to Tc, is supported by a number of experimental studies, including those performed recently. These data are discussed in this review. The anomalous diamagnetism observed at T-res.(c) < T < T-c* is a manifestation of the presence of superconducting clusters embedded into a normal metallic matrix. The value of intrinsic critical temperature in some cuprates reaches a value which is close to room temperature. The a.c. properties of such inhomogeneous systems are discussed. C1 [Kresin, Vladimir Z.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Wolf, Stuart A.] Univ Virginia, Dept Phys, Charlottesville, VA 22904 USA. [Wolf, Stuart A.] Univ Virginia, Dept Mat Sci, Charlottesville, VA 22904 USA. RP Kresin, VZ (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM vzkresin@lbl.gov NR 36 TC 8 Z9 8 U1 2 U2 12 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 1557-1939 J9 J SUPERCOND NOV MAGN JI J. Supercond. Nov. Magn PD FEB PY 2012 VL 25 IS 2 BP 175 EP 180 DI 10.1007/s10948-011-1308-0 PG 6 WC Physics, Applied; Physics, Condensed Matter SC Physics GA 899BF UT WOS:000300786300007 ER PT J AU Maity, TS Close, DW Valdez, YE Nowak-Lovato, K Marti-Arbona, R Nguyen, TT Unkefer, PJ Hong-Geller, E Bradbury, ARM Dunbar, J AF Maity, Tuhin Subhra Close, Devin W. Valdez, Yolanda E. Nowak-Lovato, Kristy Marti-Arbona, Ricardo Nguyen, Tinh T. Unkefer, Pat J. Hong-Geller, Elizabeth Bradbury, Andrew R. M. Dunbar, John TI Discovery of DNA operators for TetR and MarR family transcription factors from Burkholderia xenovorans SO MICROBIOLOGY-SGM LA English DT Article ID QUORUM-SENSING REGULATOR; BINDING-SPECIFICITY; TARGET PROMOTERS; IN-VITRO; SEQUENCE; RECOGNITION; MICROARRAYS; EVOLUTION; PROTEIN; IDENTIFICATION AB Determining transcription factor (TF) recognition motifs or operator sites is central to understanding gene regulation, yet few operators have been characterized. In this study, we used a protein-binding microarray (PBM) to discover the DNA recognition sites and putative regulons for three TetR and one MarR family TFs derived from Burkholderia xenovorans, which are common to the genus Burkholderia. We also describe the development and application of a more streamlined version of the PBM technology that significantly reduced the experimental time. Despite the genus containing many pathogenically important species, only a handful of TF operator sites have been experimentally characterized for Burkholderia to date. Our study provides a significant addition to this knowledge base and illustrates some general challenges of discovering operators on a large scale for prokaryotes. C1 [Maity, Tuhin Subhra; Close, Devin W.; Valdez, Yolanda E.; Nowak-Lovato, Kristy; Marti-Arbona, Ricardo; Nguyen, Tinh T.; Unkefer, Pat J.; Hong-Geller, Elizabeth; Bradbury, Andrew R. M.; Dunbar, John] Los Alamos Natl Lab, Biosci Div, Los Alamos, NM 87545 USA. RP Maity, TS (reprint author), Los Alamos Natl Lab, Biosci Div, POB 1663, Los Alamos, NM 87545 USA. EM tuhin@lanl.gov OI Bradbury, Andrew/0000-0002-5567-8172 FU Los Alamos National Laboratory [DR20090117] FX We sincerely thank Dr Martha Bulyk (Harvard Medical School) for several discussions about the PBM. This work was supported by a grant from the Los Alamos National Laboratory Directed Research program (grant no. DR20090117). NR 31 TC 3 Z9 3 U1 0 U2 7 PU SOC GENERAL MICROBIOLOGY PI READING PA MARLBOROUGH HOUSE, BASINGSTOKE RD, SPENCERS WOODS, READING RG7 1AG, BERKS, ENGLAND SN 1350-0872 EI 1465-2080 J9 MICROBIOL-SGM JI Microbiology-(UK) PD FEB PY 2012 VL 158 BP 571 EP 582 DI 10.1099/mic.0.055129-0 PN 2 PG 12 WC Microbiology SC Microbiology GA 900CP UT WOS:000300864500026 PM 22117006 ER PT J AU Yoo, J Dang, LS Chon, B Joo, T Yi, GC AF Yoo, Jinkyoung Dang, Le Si Chon, Bonghwan Joo, Taiha Yi, Gyu-Chul TI Exciton Scattering Mechanism in a Single Semiconducting MgZnO Nanorod SO NANO LETTERS LA English DT Article DE Exciton scattering; exciton diffusion; MgZnO; nanorod; quantum structure; cathodoluminescence; time-resolved photoluminescence ID TIME-RESOLVED PHOTOLUMINESCENCE; MOLECULAR-BEAM EPITAXY; QUANTUM-WELLS; DIFFUSION; CDSE; CATHODOLUMINESCENCE; HETEROSTRUCTURES; EMISSION; GAIN AB Excitonic phenomena, such as excitonic absorption and emission, have been used in many photonic and optoelectronic semiconductor device applications. As the sizes of these nanoscale materials have approached to exciton diffusion lengths in semiconductors, a fundamental understanding of exciton transport in semiconductors has become imperative. We present exciton transport in a single MgZnO nanorod in the spatiotemporal regime with several nanometer-scale spatial resolution and several tens of picosecond temporal resolution. This study was performed using temperature-dependent cathodoluminescence and time-resolved photoluminescence spectroscopies. The exciton diffusion length in the MgZnO nanorod decreased from 100 to 70 nm with increasing temperature in the range of S and 80 K The results obtained for the temperature dependence of exciton diffusion length and luminescence lifetime revealed that the dominant exciton scattering mechanism in MgZnO nanorod is exciton-phonon assisted piezoelectric field scattering. C1 [Yoo, Jinkyoung; Yi, Gyu-Chul] Seoul Natl Univ, Ctr Semicond Nanorods, Natl Creat Res Initiat, Seoul 151747, South Korea. [Yoo, Jinkyoung; Yi, Gyu-Chul] Seoul Natl Univ, Dept Phys & Astron, Seoul 151747, South Korea. [Yoo, Jinkyoung] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Dang, Le Si] CNRS, Inst Neel, F-38042 Grenoble, France. [Dang, Le Si] Univ Grenoble 1, F-38042 Grenoble, France. [Chon, Bonghwan; Joo, Taiha] POSTECH, Dept Chem, Pohang 790784, Gyeongbuk, South Korea. RP Yoo, J (reprint author), Seoul Natl Univ, Ctr Semicond Nanorods, Natl Creat Res Initiat, Seoul 151747, South Korea. EM jyoo@lanl.gov; gcyi@snu.ac.kr RI Yi, Gyu-Chul/F-1326-2011; Yoo, Jinkyoung/B-5291-2008; Joo, Taiha/C-4495-2008 OI Yoo, Jinkyoung/0000-0002-9578-6979; FU National Research Foundations (NRF) of Korea [R16-2004-004-01001-0]; Korea Foundation for International Cooperation of Science and Technology; LIA CNRS-KIST Center for Photonics and Nanostructures; National Research Foundation of Korea (NRF); Korean government (MEST) [2011-0001215] FX This work was financially supported by the National Creative Research Initiative Project (R16-2004-004-01001-0) of the National Research Foundations (NRF) of Korea. G.Y. and L.D. also acknowledge partial support by the Korea Foundation for International Cooperation of Science and Technology and the LIA CNRS-KIST Center for Photonics and Nanostructures. T.J. acknowledges the support of the National Research Foundation of Korea (NRF) grant funded by the Korean government (MEST) (2011-0001215). NR 28 TC 7 Z9 7 U1 4 U2 41 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD FEB PY 2012 VL 12 IS 2 BP 556 EP 561 DI 10.1021/nl202626y 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 887XW UT WOS:000299967800006 PM 22214177 ER PT J AU Teprovich, JA Wellons, MS Lascola, R Hwang, SJ Ward, PA Compton, RN Zidan, R AF Teprovich, Joseph A., Jr. Wellons, Matthew S. Lascola, Robert Hwang, Son-Jong Ward, Patrick A. Compton, Robert N. Zidan, Ragaiy TI Synthesis and Characterization of a Lithium-Doped Fullerane (Li-x-C-60-H-y) for Reversible Hydrogen Storage SO NANO LETTERS LA English DT Article DE Hydrogen storage; metal hydride; fullerene; fullerane; metal-doped C-60 ID INTERCALATION COMPOUNDS; THERMAL-DECOMPOSITION; C-60; FULLERENES; C60H36; PRESSURE; HYDRIDE; RAMAN; GAS; FRAGMENTATION AB Herein, we present a lithium-doped fullerane (Li-x-C-60-H-y) that is capable of reversibly storing hydrogen through chemisorption at elevated temperatures and pressures. This system is unique in that hydrogen is closely associated with lithium and carbon upon rehydrogenation of the material and that the weight percent of H-2 stored in the material is intimately linked to the stoichiometric ratio of Li:C-60 in the material. Characterization of the material (IR, Raman, UV-vis, XRD, LDI-TOF-MS, and NMR) indicates that a lithium-doped fullerane is formed upon rehydrogenation in which the active hydrogen storage material is similar to a hydrogenated fullerene. Under optimized conditions, a lithium-doped fullerane with a Li:C-60 mole ratio of 6:1 can reversibly desorb up to 5 wt % H-2 with an onset temperature of similar to 270 degrees C, which is significantly less than the desorption temperature of hydrogenated fullerenes (C60Hx) and pure lithium hydride (decomposition temperature 500-600 and 670 degrees C respectively). However, our Li-x-C-60-H-y system does not suffer from the same drawbacks as typical hydrogenated fullerenes (high desorption T and release of hydrocarbons) because the fullerene cage remains mostly intact and is only slightly modified during multiple hydrogen desorption/absorption cycles. We also observed a reversible phase transition of C-60 in the material from face-centered cubic to body-centered cubic at high levels of hydrogenation. C1 [Teprovich, Joseph A., Jr.; Wellons, Matthew S.; Lascola, Robert; Zidan, Ragaiy] Savannah River Natl Lab, Clean Energy Directorate, Aiken, SC 29808 USA. [Hwang, Son-Jong] CALTECH, Div Chem & Chem Engn, Pasadena, CA 91125 USA. [Ward, Patrick A.; Compton, Robert N.] Univ Tennessee, Dept Chem, Knoxville, TN 37996 USA. RP Zidan, R (reprint author), Savannah River Natl Lab, Clean Energy Directorate, POB A, Aiken, SC 29808 USA. EM Ragaiy.Zidan@srnl.doe.gov OI Lascola, Robert/0000-0002-6784-5644 FU U.S. DOE, Office of Basic Energy Science; National Science Foundation (NSF) [9724240, DMR-520565, DGE0801470] FX J.A.T., M.S.W, and R.Z. would like to thank the U.S. DOE, Office of Basic Energy Science for funding as well as Mr. David Missimer (SRNL) for his help with the XRD measurements, Mr. Joseph Wheeler (SRNL) for his assistance with the laboratory operations, and Dr. Gregg Morgan (SRNL) for the use of his PCT instrument. The NMR facility at Caltech was supported by the National Science Foundation (NSF) under grant number 9724240 and partially supported by the MRSEC Program of the NSF under award number DMR-520565. Mass spectrometry measurements were supported by the National Science Foundation grant number DGE0801470, "Sustainable Technology through Advanced Interdisciplinary Research" (STAIR), awarded to the University of Tennessee Knoxville. NR 56 TC 48 Z9 48 U1 5 U2 77 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD FEB PY 2012 VL 12 IS 2 BP 582 EP 589 DI 10.1021/nl203045v PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 887XW UT WOS:000299967800010 PM 22206302 ER PT J AU Hopkins, PE Baraket, M Barnat, EV Beechem, TE Kearney, SP Duda, JC Robinson, JT Walton, SG AF Hopkins, Patrick E. Baraket, Mira Barnat, Edward V. Beechem, Thomas E. Kearney, Sean P. Duda, John C. Robinson, Jeremy T. Walton, Scott G. TI Manipulating Thermal Conductance at Metal-Graphene Contacts via Chemical Functionalization SO NANO LETTERS LA English DT Article DE Graphene; thermal boundary conductance; chemical functionalization; adsorbates; bond strength; Raman spectroscopy; X-ray photoelectron spectroscopy; time domain thermoreflectance; sp(3) bonding ID LAYER GRAPHENE; TRANSPORT; CONDUCTIVITY; GRAPHITE; DIAMOND; FILMS AB Graphene-based devices have garnered tremendous attention due to the unique physical properties arising from this purely two-dimensional carbon sheet leading to tremendous efficiency in the transport of thermal carriers (i.e., phonons). However, it is necessary for this two-dimensional material to be able to efficiently transport heat into the surrounding 3D device architecture in order to fully capitalize on its intrinsic transport capabilities. Therefore, the thermal boundary conductance at graphene interfaces is a critical parameter in the realization of graphene electronics and thermal solutions. In this work, we examine the role of chemical functionalization on the thermal boundary conductance across metal/graphene interfaces. Specifically, we metalize graphene that has been plasma functionalized and then measure the thermal boundary conductance at Al/graphene/SiO2 contacts with time domain thermoreflectance. The addition of adsorbates to the graphene surfaces are shown to influence the cross plane thermal conductance; this behavior is attributed to changes in the bonding between the metal and the graphene, as both the phonon flux and the vibrational mismatch between the materials are each subject to the interfacial bond strength. These results demonstrate plasma-based functionalization of graphene surfaces is a viable approach to manipulate the thermal boundary conductance. C1 [Hopkins, Patrick E.; Duda, John C.] Univ Virginia, Dept Mech & Aerosp Engn, Charlottesville, VA 22904 USA. [Barnat, Edward V.; Beechem, Thomas E.; Kearney, Sean P.; Duda, John C.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Baraket, Mira; Walton, Scott G.] USN, Res Lab, Div Plasma Phys, Washington, DC 20375 USA. [Robinson, Jeremy T.] USN, Res Lab, Elect Sci & Technol Div, Washington, DC 20375 USA. RP Hopkins, PE (reprint author), Univ Virginia, Dept Mech & Aerosp Engn, Charlottesville, VA 22904 USA. EM phopkins@virginia.edu; scott.walton@nrl.navy.mil RI Robinson, Jeremy/F-2748-2010; Duda, John/A-7214-2011 FU National Science Foundation [CBET-1134311]; Sandia National Laboratories; National Research Council; Office of Naval Research; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX P.E.H. is grateful for funding from the National Science Foundation (CBET-1134311). P.E.H., T.E.B., and J.C.D. gratefully acknowledge support from the LDRD Program through Sandia National Laboratories. M.B. appreciates the support of the National Research Council. This work was partially supported by the Office of Naval Research. J.C.D. gratefully acknowledges support from the National Science Foundation through the Graduate Research Fellowship Program. This work was performed, in part, at the Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 46 TC 91 Z9 91 U1 5 U2 120 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD FEB PY 2012 VL 12 IS 2 BP 590 EP 595 DI 10.1021/nl203060j 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 887XW UT WOS:000299967800011 PM 22214512 ER PT J AU Stewart, JT Padilha, LA Qazilbash, MM Pietryga, JM Midgett, AG Luther, JM Beard, MC Nozik, AJ Klimov, VI AF Stewart, John T. Padilha, Lazaro A. Qazilbash, M. Mumtaz Pietryga, Jeffrey M. Midgett, Aaron G. Luther, Joseph M. Beard, Matthew C. Nozik, Arthur J. Klimov, Victor I. TI Comparison of Carrier Multiplication Yields in PbS and PbSe Nanocrystals: The Role of Competing Energy-Loss Processes SO NANO LETTERS LA English DT Article DE Carrier multiplication; multiple exciton generation; Auger recombination; hot exciton cooling ID MULTIPLE EXCITON GENERATION; QUANTUM DOTS; SEMICONDUCTOR NANOCRYSTALS; MULTIEXCITON GENERATION; IMPACT IONIZATION; SOLAR-CELLS; EFFICIENCY; EMISSION AB Infrared band gap semiconductor nanocrystals are promising materials for exploring generation III photovoltaic concepts that rely on carrier multiplication or multiple exciton generation, the process in which a single high-energy photon generates more than one electron-hole pair. In this work, we present measurements of carrier multiplication yields and biexciton lifetimes for a large selection of PbS nanocrystals and compare these results to the well-studied PbSe nanocrystals. The similar bulk properties of PbS and PbSe make this an important comparison for discerning the pertinent properties that determine efficient carrier multiplication. We observe that PbS and PbSe have very similar biexciton lifetimes as a function of confinement energy. Together with the similar bulk properties, this suggests that the rates of multiexciton generation, which is the inverse of Auger recombination, are also similar. The carrier multiplication yields in PbS nanocrystals, however, are strikingly lower than those observed for PbSe nanocrystals. We suggest that this implies the rate of competing processes, such as phonon emission, is higher in PbS nanocrystals than in PbSe nanocrystals. Indeed, our estimations for phonon emission mediated by the polar Frohlich-type interaction indicate that the corresponding energy-loss rate is approximately twice as large in PbS than in PbSe. C1 [Stewart, John T.; Padilha, Lazaro A.; Qazilbash, M. Mumtaz; Pietryga, Jeffrey M.; Klimov, Victor I.] Los Alamos Natl Lab, Ctr Adv Solar Photophys, C PCS, Div Chem, Los Alamos, NM 87545 USA. [Midgett, Aaron G.; Luther, Joseph M.; Beard, Matthew C.; Nozik, Arthur J.] Natl Renewable Energy Lab, Chem & Mat Sci Ctr, Golden, CO 80401 USA. [Midgett, Aaron G.; Nozik, Arthur J.] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA. RP Stewart, JT (reprint author), Los Alamos Natl Lab, Ctr Adv Solar Photophys, C PCS, Div Chem, POB 1663, Los Alamos, NM 87545 USA. EM jstewart@lanl.gov; klimov@lanl.gov RI Padilha, Lazaro/G-1523-2013; Nozik, Arthur/A-1481-2012; Nozik, Arthur/P-2641-2016; OI BEARD, MATTHEW/0000-0002-2711-1355; Klimov, Victor/0000-0003-1158-3179 FU Center for Advanced Solar Photophysics (CASP); U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences (BES); Los Alamos National Laboratory (LANL); Division of Chemical Sciences, Geosciences, and Biosciences, BES, DOE FX J.T.S., J.M.P., J.M.L., A.J.N., and V.I.K. acknowledge support of the Center for Advanced Solar Photophysics (CASP), an Energy Frontier Research Center (EFRC) funded by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences (BES). L.A.P. is supported by the Los Alamos National Laboratory LDRD program. J.T.S and M.M.Q. are supported by LANL Director's Postdoctoral Fellowships. M.C.B. and A.G.M. were supported by the Solar Photochemistry program within the Division of Chemical Sciences, Geosciences, and Biosciences, BES, DOE. We would like to thank CASP EFRC members for useful discussions and Wan Ki Bae for TEM characterization. NR 52 TC 55 Z9 56 U1 2 U2 99 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD FEB PY 2012 VL 12 IS 2 BP 622 EP 628 DI 10.1021/nl203367m 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 887XW UT WOS:000299967800016 PM 22148950 ER PT J AU Appavoo, K Lei, DY Sonnefraud, Y Wang, B Pantelides, ST Maier, SA Haglund, RF AF Appavoo, Kannatassen Lei, Dang Yuan Sonnefraud, Yannick Wang, Bin Pantelides, Sokrates T. Maier, Stefan A. Haglund, Richard F., Jr. TI Role of Defects in the Phase Transition of VO2 Nanoparticles Probed by Plasmon Resonance Spectroscopy SO NANO LETTERS LA English DT Article DE Vanadium dioxide; VO2; phase transition; interface; defect; size effect; localized surface plasmon resonance; density functional theory; domain boundary engineering ID METAL-INSULATOR-TRANSITION; GRAIN-BOUNDARIES; VANADIUM DIOXIDE; OPTICAL-PROPERTIES; THIN-FILMS; STRAIN; NUCLEATION; OXIDES AB Defects are known to affect nanoscale phase transitions, but their specific role in the metal-to-insulator transition in VO2 has remained elusive. By combining plasmon resonance nanospectroscopy with density functional calculations, we correlate decreased phase-transition energy with oxygen vacancies created by strain at grain boundaries. By measuring the degree of metallization in the lithographically defined VO2 nanoparticles, we find that hysteresis width narrows with increasing size, thus illustrating the potential for domain boundary engineering in phase-changing nanostructures. C1 [Appavoo, Kannatassen; Haglund, Richard F., Jr.] Vanderbilt Univ, Interdisciplinary Program Mat Sci, Nashville, TN 37235 USA. [Appavoo, Kannatassen; Haglund, Richard F., Jr.] Vanderbilt Univ, Inst Nanoscale Sci & Engn, Nashville, TN 37235 USA. [Lei, Dang Yuan; Sonnefraud, Yannick; Maier, Stefan A.] Univ London Imperial Coll Sci Technol & Med, Dept Phys, London SW7 2AZ, England. [Wang, Bin; Pantelides, Sokrates T.; Haglund, Richard F., Jr.] Vanderbilt Univ, Dept Phys & Astron, Nashville, TN 37235 USA. [Pantelides, Sokrates T.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. RP Appavoo, K (reprint author), Vanderbilt Univ, Interdisciplinary Program Mat Sci, 221 Kirkland Hall, Nashville, TN 37235 USA. EM krishenappavoo@gmail.com RI Wang, Bin/E-8301-2011; Lei, Dangyuan/B-9812-2011; OI Wang, Bin/0000-0001-8246-1422; Lei, Dangyuan/0000-0002-8963-0193; Sonnefraud, Yannick/0000-0002-5508-1958 FU National Science Foundation [ECE-0801980]; Engineering and Physical Sciences Research Council (EPSRC); Leverhulme Trust; DTRA [HDTRA1-10-1-0016]; Department of Energy Basic Energy Sciences; McMinn Endowment FX The authors thank J. Nag for helpful discussions regarding VO2. K.A. was supported by a research assistantship provided by the National Science Foundation (ECE-0801980). Portions of this work were performed at the Vanderbilt Institute of Nanoscale Science and Engineering, using facilities renovated under NSF ARI-R2 DMR-0963361. Research at Imperial College London was sponsored by the Engineering and Physical Sciences Research Council (EPSRC). Y.S. and D.Y.L. acknowledge funding from the Leverhulme Trust. Research at Vanderbilt was supported by DTRA grant HDTRA1-10-1-0016 and computations were performed at the AFRL. Theoretical work was supported in part by the Department of Energy Basic Energy Sciences and the McMinn Endowment. NR 48 TC 86 Z9 86 U1 17 U2 167 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD FEB PY 2012 VL 12 IS 2 BP 780 EP 786 DI 10.1021/nl203782y 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 887XW UT WOS:000299967800042 PM 22273268 ER PT J AU Graham, MW Calhoun, TR Green, AA Hersam, MC Fleming, GR AF Graham, Matt W. Calhoun, Tessa R. Green, Alexander A. Hersam, Mark C. Fleming, Graham R. TI Two-Dimensional Electronic Spectroscopy Reveals the Dynamics of Phonon-Mediated Excitation Pathways in Semiconducting Single-Walled Carbon Nanotubes SO NANO LETTERS LA English DT Article DE ultrafast; carbon nanotubes; multidimensional spectroscopy; multiphonon assisted transition; phonon side-band; femtosecond dynamics ID SPECTRA; EXCITONS AB Electronic two-dimensional Fourier transform (2D-FT) spectroscopy is applied to semiconducting single-walled carbon nanotubes and provides a spectral and time-domain map of exciton-phonon assisted excitations. Using 12 fs long pulses, we resolve side-bands above the E-22 transition that correspond with the RBM, G, G', 2G and other multiphonon modes. The appearance of 2D-FT spectral cross-peaks explicitly resolves discrete phonon assisted population transfer that scatters excitations to the E-22 (Gamma-pt) state, often through a second-order exciton-phonon coupling process. All 2D-FT peaks exhibit a strong peak amplitude modulation at the G-band period (21 fs) which we show originates from an impulsive stimulated Raman process that populates a ground-state G-band vibrational coherence over a 1.3 Ps phonon lifetime. C1 [Graham, Matt W.; Calhoun, Tessa R.; Fleming, Graham R.] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. [Graham, Matt W.; Calhoun, Tessa R.; Fleming, Graham R.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Green, Alexander A.; Hersam, Mark C.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Green, Alexander A.; Hersam, Mark C.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. RP Fleming, GR (reprint author), Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. EM grfleming@lbl.gov RI Hersam, Mark/B-6739-2009; OI Green, Alexander/0000-0003-2058-1204 FU NSF [CHE-1012168, DMR-1006391, DMR-1121262]; Natural Sciences and Engineering Research Council of Canada; Nanoelectronics Research Initiative FX This work is supported by NSF Grant CHE-1012168 to G.R.F. M.W.G. and A.A.G. thank Natural Sciences and Engineering Research Council of Canada for postgraduate scholarships. Density gradient processing was supported by the NSF (DMR-1006391 and DMR-1121262) and the Nanoelectronics Research Initiative. We thank Y.-Z. Ma, G. S. Schlau-Cohen, and L. V. Valkunas for their helpful contributions. NR 34 TC 18 Z9 19 U1 2 U2 42 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD FEB PY 2012 VL 12 IS 2 BP 813 EP 819 DI 10.1021/nl2038503 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 887XW UT WOS:000299967800048 PM 22214398 ER PT J AU Yu, Q Qi, L Chen, K Mishra, RK Li, J Minor, AM AF Yu, Qian Qi, Liang Chen, Kai Mishra, Raja K. Li, Ju Minor, Andrew M. TI The Nanostructured Origin of Deformation Twinning SO NANO LETTERS LA English DT Article DE In situ TEM tensile/bending/compression tests; high-strength Mg; nanotwin; TWIP; nucleation ID MAGNESIUM ALLOYS; PLASTICITY; BOUNDARIES; MECHANISMS; DUCTILITY; PHYSICS; METALS; STEELS; GRAIN; SIZE AB We have revealed the fundamental embryonic structure of deformation twins using in situ mechanical testing of magnesium single crystals in a transmission electron microscope. This structure consists of an array of twin-related laths on the scale of several nanometers. A computational model demonstrates that this structure should be a generic feature at the incipient stage of deformation twinning when there are correlated nucleation events. Our results shed light on the origin of twinning-induced plasticity and transformation toughening, critical to the development of advanced structural alloys with high strength, ductility, and toughness. C1 [Yu, Qian; Minor, Andrew M.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. [Yu, Qian; Minor, Andrew M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [Qi, Liang; Li, Ju] MIT, Dept Nucl Sci & Engn, Cambridge, MA 02139 USA. [Li, Ju] MIT, Dept Mat Sci & Engn, Cambridge, MA 02139 USA. [Chen, Kai] Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China. [Chen, Kai] Xi An Jiao Tong Univ, Frontier Inst Sci & Technol, Xian 710049, Peoples R China. [Mishra, Raja K.] Gen Motors Res & Dev Ctr, Warren, MI 48090 USA. RP Minor, AM (reprint author), Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. EM aminor@berkeley.edu RI Li, Ju/A-2993-2008; Qi, Liang/A-3851-2010; Yu, Qian/C-5949-2013; Chen, Kai/O-5662-2014; xjtu, campnano/Q-1904-2015 OI Li, Ju/0000-0002-7841-8058; Qi, Liang/0000-0002-0201-9333; Chen, Kai/0000-0002-4917-4445; FU General Motors Research and Development Center; U.S. Department of Energy [DE-AC02-05CH11231]; NSF [CMMI-0728069, DMR-1008104]; AFOSR [FA9550-08-1-0325] FX This research was supported by the General Motors Research and Development Center and performed at the National Center for Electron Microscopy and the Advanced Light Source at Lawrence Berkeley National Laboratory, which is supported by the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. L.Q, and J.L. acknowledge support by NSF Grants CMMI-0728069 and DMR-1008104, and AFOSR Grant FA9550-08-1-0325. The authors thank U. Dahmen for thoughtful discussions. NR 31 TC 87 Z9 89 U1 14 U2 210 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD FEB PY 2012 VL 12 IS 2 BP 887 EP 892 DI 10.1021/nl203937t 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 887XW UT WOS:000299967800060 PM 22239446 ER PT J AU Ahmed, T Kilina, S Das, T Haraldsen, JT Rehr, JJ Balatsky, AV AF Ahmed, Towfiq Kilina, Svetlana Das, Tanmoy Haraldsen, Jason T. Rehr, John J. Balatsky, Alexander V. TI Electronic Fingerprints of DNA Bases on Graphene SO NANO LETTERS LA English DT Article DE STM; electronic DNA sequencing; graphene; tunneling conductance; DNA base fingerprints ID SCANNING TUNNELING MICROSCOPE; BASIS-SET; MOLECULES; TRANSPORT; SURFACE AB We calculate the electronic local density of states (LDOS) of DNA nucleotide bases (A,C,G,T), deposited on graphene. We observe significant base-dependent features in the LDOS in an energy range within a few electronvolts of the Fermi level. These features can serve as electronic fingerprints for the identification of individual bases in scanning tunneling spectroscopy (STS) experiments that perform image and site dependent spectroscopy on biomolecules. Thus the fingerprints of DNA-graphene hybrid structures may provide an alternative route to DNA sequencing using STS. C1 [Ahmed, Towfiq; Rehr, John J.] Univ Washington, Dept Phys, Seattle, WA 98195 USA. [Kilina, Svetlana] N Dakota State Univ, Dept Chem & Biochem, Fargo, ND 58108 USA. [Das, Tanmoy; Haraldsen, Jason T.; Balatsky, Alexander V.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Haraldsen, Jason T.; Balatsky, Alexander V.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. RP Ahmed, T (reprint author), Univ Washington, Dept Phys, Seattle, WA 98195 USA. EM atowfiq@u.washington.edu; avb@lanl.gov RI Haraldsen, Jason/B-9809-2012 OI Haraldsen, Jason/0000-0002-8641-5412 FU U.S. Department of Energy [DE-AC52-06NA25396] FX We are grateful to M. DiVentra, T. Kawai, J. T. Vinson, Y. Liu, J. Martinez, I. Schuller, H. Tanaka, A. Taylor, S. Tretiak, F. D. Vila, Y. Baba, and D. Yarotski for useful discussions. This work was performed in part at the Center for Integrated Nanotechnologies, a U.S. Department of Energy, Office of Basic Energy Sciences user facility. Los Alamos National Laboratory, an affirmative action equal opportunity employer, is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the U.S. Department of Energy under contract DE-AC52-06NA25396. NR 27 TC 31 Z9 31 U1 1 U2 63 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD FEB PY 2012 VL 12 IS 2 BP 927 EP 931 DI 10.1021/nl2039315 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 887XW UT WOS:000299967800067 PM 22257137 ER PT J AU Qin, SY Kim, TH Zhang, YN Ouyang, WJ Weitering, HH Shih, CK Baddorf, AP Wu, RQ Li, AP AF Qin, Shengyong Kim, Tae-Hwan Zhang, Yanning Ouyang, Wenjie Weitering, Hanno H. Shih, Chih-Kang Baddorf, Arthur P. Wu, Ruqian Li, An-Ping TI Correlating Electronic Transport to Atomic Structures in Self-Assembled Quantum Wires SO NANO LETTERS LA English DT Article DE Electronic transport; nanowire; defects; electronic coupling; localization; electronic density of states; scanning tunneling microscopy ID NANOWIRES; SILICIDES; SURFACES; SILICON AB Quantum wires, as a smallest electronic conductor, are expected to be a fundamental component in all quantum architectures. The electronic conductance in quantum wires, however, is often dictated by structural instabilities and electron localization at the atomic scale. Here we report on the evolutions of electronic transport as a function of temperature and interwire coupling as the quantum wires of GdSi2 are self-assembled on Si(100) wire-by-wire. The correlation between structure, electronic properties, and electronic transport are examined by combining nanotransport measurements, scanning tunneling microscopy, and density functional theory calculations. A metal-insulator transition is revealed in isolated nanowires, while a robust metallic state is obtained in wire bundles at low temperature. The atomic defects lead to electron localizations in isolated nanowire, and interwire coupling stabilizes the structure and promotes the metallic states in wire bundles. This illustrates how the conductance nature of a one-dimensional system can be dramatically modified by the environmental change on the atomic scale. C1 [Qin, Shengyong; Kim, Tae-Hwan; Baddorf, Arthur P.; Li, An-Ping] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. [Zhang, Yanning; Ouyang, Wenjie; Wu, Ruqian] Univ Calif Irvine, Dept Phys & Astron, Irvine, CA 92697 USA. [Weitering, Hanno H.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Shih, Chih-Kang] Univ Texas Austin, Dept Phys, Austin, TX 78712 USA. RP Li, AP (reprint author), Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA. EM apli@ornl.gov RI Kim, Tae-Hwan/A-5636-2010; ZHANG, YANNING/A-3316-2013; Wu, Ruqian/C-1395-2013; Li, An-Ping/B-3191-2012; Qin, Shengyong/A-7348-2012; Baddorf, Arthur/I-1308-2016 OI Kim, Tae-Hwan/0000-0001-5328-0913; Wu, Ruqian/0000-0002-6156-7874; Li, An-Ping/0000-0003-4400-7493; Baddorf, Arthur/0000-0001-7023-2382 FU Office of Basic Energy Sciences, U.S. Department of Energy at Oak Ridge National Laboratory; DOE [DE-FG02-05ER46237] FX This research was conducted at the Center for Nanophase Materials Sciences, which is sponsored at Oak Ridge National Laboratory by the Office of Basic Energy Sciences, U.S. Department of Energy. Work at UCI was supported by DOE grant DE-FG02-05ER46237. Calculations were performed on parallel computers at NERSC. NR 32 TC 17 Z9 17 U1 0 U2 38 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD FEB PY 2012 VL 12 IS 2 BP 938 EP 942 DI 10.1021/nl204003s 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 887XW UT WOS:000299967800069 PM 22268695 ER PT J AU Senyuk, B Evans, JS Ackerman, PJ Lee, T Manna, P Vigderman, L Zubarev, ER van de Lagemaat, J Smalyukh, II AF Senyuk, Bohdan Evans, Julian S. Ackerman, Paul J. Lee, Taewoo Manna, Pramit Vigderman, Leonid Zubarev, Eugene R. van de Lagemaat, Jao Smalyukh, Ivan I. TI Shape-Dependent Oriented Trapping and Scaffolding of Plasmonic Nanoparticles by Topological Defects for Self-Assembly of Colloidal Dimers in Liquid Crystals SO NANO LETTERS LA English DT Article DE Plasmonic nanoparticles; nanoscale self-assembly; liquid crystal elasticity; colloids; topological defects; optical trapping ID SINGLE GOLD NANORODS; ANISOTROPIC FLUIDS; OPTICAL-PROPERTIES; PARTICLE; SPECTROSCOPY; ORIENTATION; COMPOSITES; RESONANCES; ALIGNMENT AB We demonstrate scaffolding of plasmonic nanoparticles by topological defects induced by colloidal microspheres to match their surface boundary conditions with a uniform far-field alignment in a liquid crystal host. Displacing energetically costly liquid crystal regions of reduced order, anisotropic nanoparticles with concave or convex shapes not only stably localize in defects but also self-orient with respect to the microsphere surface. Using laser tweezers, we manipulate the ensuing nanoparticle-microsphere colloidal dimers, probing the strength of elastic binding and demonstrating self-assembly of hierarchical colloidal superstructures such as chains and arrays. C1 [Senyuk, Bohdan; Evans, Julian S.; Ackerman, Paul J.; Lee, Taewoo; Smalyukh, Ivan I.] Univ Colorado, Dept Elect Comp & Energy Engn, Mat Sci & Engn Program, Dept Phys, Boulder, CO 80309 USA. [Senyuk, Bohdan; Evans, Julian S.; Ackerman, Paul J.; Lee, Taewoo; Smalyukh, Ivan I.] Univ Colorado, Liquid Crystals Mat Res Ctr, Boulder, CO 80309 USA. [Evans, Julian S.; van de Lagemaat, Jao] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Manna, Pramit; Vigderman, Leonid; Zubarev, Eugene R.] Rice Univ, Dept Chem, Houston, TX 77005 USA. [van de Lagemaat, Jao; Smalyukh, Ivan I.] Natl Renewable Energy Lab, Renewable & Sustainable Energy Inst, Boulder, CO 80309 USA. RP Smalyukh, II (reprint author), Univ Colorado, Dept Elect Comp & Energy Engn, Mat Sci & Engn Program, Dept Phys, Boulder, CO 80309 USA. EM ivan.smalyukh@colorado.edu RI Zubarev, Eugene/C-9288-2011; van de Lagemaat, Jao/J-9431-2012; Smalyukh, Ivan/C-2955-2011; Manna, Pramit/F-5752-2014; Senyuk, Bohdan/M-3185-2014 OI Smalyukh, Ivan/0000-0003-3444-1966; Senyuk, Bohdan/0000-0002-0004-3161 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the U.S. Department of Energy with the National Renewable Energy Laboratory [DE-AC36-08GO28308]; International Institute for Complex Adaptive Matter; NSF [DMR-0847782, DMR-0820579, DMR-0844115, DMR-0547399, DMR-1105878] FX This work was supported by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences of the U.S. Department of Energy under Contract No. DE-AC36-08GO28308 with the National Renewable Energy Laboratory (J.vdL and J.S.E.), by the International Institute for Complex Adaptive Matter (B.S.), and by NSF Grants DMR-0847782, DMR-0820579, and DMR-0844115 (I.I.S., B.S., P.J.A., and T.L.). E.R.Z. acknowledges financial support by NSF (DMR- 0547399, DMR-1105878). We thank Christian Schoen and Shelley Coldiron from Nanopartz, Inc. for providing gold nanoparticles along with the corresponding TEM images (Figure la,c,d). We acknowledge discussions with Nick Abbott, Noel Clark, and Victor Pergamenshchik. NR 45 TC 77 Z9 77 U1 6 U2 124 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD FEB PY 2012 VL 12 IS 2 BP 955 EP 963 DI 10.1021/nl204030t PG 9 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 887XW UT WOS:000299967800072 PM 22233163 ER PT J AU Zhang, LJ d'Avezac, M Luo, JW Zunger, A AF Zhang, Lijun d'Avezac, Mayeul Luo, Jun-Wei Zunger, Alex TI Genomic Design of Strong Direct-Gap Optical Transition in Si/Ge Core/Multishell Nanowires SO NANO LETTERS LA English DT Article DE Silicon; light-emitting/absorbing; core/shell nanowire; genetic algorithm ID STRAINED-LAYER SUPERLATTICES; LIGHT-EMITTING-DIODES; SILICON NANOWIRES; SEMICONDUCTOR NANOWIRES; ROOM-TEMPERATURE; CORE-SHELL; PHOTOLUMINESCENCE; HETEROSTRUCTURES; LUMINESCENCE; EMISSION AB Finding a Si-based material with strong optical activity at the band-edge remains a challenge despite decades of research. The interest lies in combining optical and electronic functions on the same wafer, while retaining the extraordinary know-how developed for Si. However, Si is an indirect-gap material. The conservation of crystal momentum mandates that optical activity at the band-edge includes a phonon, on top of an electron-hole pair, and hence photon absorption and emission remain fairly unlikely events requiring optically rather thick samples. A promising avenue to convert Si-based materials to a strong light-absorber/emitter is to combine the effects on the band-structure of both nanostructuring and alloying. The number of possible configurations, however, shows a combinatorial explosion. Furthermore, whereas it is possible to readily identify the configurations that are formally direct in the momentum space (due to band-folding) yet do not have a dipole-allowed transition at threshold, the problem becomes not just calculation of band structure but also calculation of absorption strength. Using a combination of a genetic algorithm and a semiempirical pseudopotential Hamiltonian for describing the electronic structures, we have explored hundreds of thousands of possible coaxial core/multishell Si/Ge nanowires with the orientation of [001], [110], and [111], discovering some "magic sequences" of core followed by specific Si/Ge multishells, which can offer both a direct bandgap and a strong oscillator strength. The search has revealed a few simple design principles: (i) the Ge core is superior to the Si core in producing strong bandgap transition; (ii) [001] and [110] orientations have direct bandgap, whereas the [111] orientation does not; (iii) multishell nanowires can allow for greater optical activity by as much as an order of magnitude over plain nanowires; (iv) the main motif of the winning configurations giving direct allowed transitions involves rather thin Si shell embedded within wide Ge shells. We discuss the physical origin of the enhanced optical activity, as well as the effect of possible experimental structural imperfections on optical activity in our candidate core/multishell nanowires. C1 [Zhang, Lijun; d'Avezac, Mayeul; Luo, Jun-Wei] Natl Renewable Energy Lab, Golden, CO 80401 USA. [Zunger, Alex] Univ Colorado, Boulder, CO 80302 USA. RP Zhang, LJ (reprint author), Natl Renewable Energy Lab, Golden, CO 80401 USA. EM lijun_physics@yahoo.com.cn; alex.zunger@gmail.com RI Zhang, Lijun/F-7710-2011; Zunger, Alex/A-6733-2013; LUO, JUNWEI/B-6545-2013; LUO, JUN-WEI/A-8491-2010; OI d'Avezac, Mayeul/0000-0002-2615-8397 FU U.S. Department of Energy, Office of Science, Basic Energy Sciences [DE-AC36-08GO28308] FX A.Z. thanks Fernando Patolsky and Ori Cheshnovsky of Tel Aviv University for important discussions on core/multishell Si-Ge nanowires. This work is supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, under Contract No. DE-AC36-08GO28308 to NREL. The "Center for Inverse Design" is a DOE Energy Frontier Research Center. The use of MPP capabilities at the National Energy Research Scientific Computing Center is gratefully acknowledged. NR 59 TC 26 Z9 27 U1 1 U2 64 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 EI 1530-6992 J9 NANO LETT JI Nano Lett. PD FEB PY 2012 VL 12 IS 2 BP 984 EP 991 DI 10.1021/nl2040892 PG 8 WC Chemistry, Multidisciplinary; Chemistry, Physical; Nanoscience & Nanotechnology; Materials Science, Multidisciplinary; Physics, Applied; Physics, Condensed Matter SC Chemistry; Science & Technology - Other Topics; Materials Science; Physics GA 887XW UT WOS:000299967800076 PM 22216831 ER PT J AU Mazumder, V Chi, MF Mankin, MN Liu, Y Metin, O Sun, DH More, KL Sun, SH AF Mazumder, Vismadeb Chi, Miaofang Mankin, Max N. Liu, Yi Metin, Onder Sun, Daohua More, Karren L. Sun, Shouheng TI A Facile Synthesis of MPd (M = Co, Cu) Nanoparticles and Their Catalysis for Formic Acid Oxidation SO NANO LETTERS LA English DT Article DE Bimetallic nanoparticles; Pd-based nanoparticles; size and composition control; formic acid oxidation; catalysis ID PALLADIUM NANOPARTICLES; AMBIENT CONDITIONS; COUPLING REACTIONS; PD NANOPARTICLES; HYDROGENATION; NANOCRYSTALS AB Monodisperse CoPd nanoparticles (NPs) were synthesized and studied for catalytic formic acid (HCOOH) oxidation (FAO). The NPs were prepared by coreduction of Co(acac)(2) (acac = acetylacetonate) and PdBr2 at 260 degrees C in oleylamine and trioctylphosphine, and their sizes (5-12 nm) and compositions (Co10Pd90 to Co60Pd40) were controlled by heating ramp rate, metal salt concentration, or metal molar ratios. The 8 nm CoPd NPs were activated for HCOOH oxidation by a simple ethanol wash. In 0.1 M HClO4 and 2 M HCOOH solution, their catalytic activities followed the trend of Co50Pd50 > Co60Pd40 > Co10Pd90 > Pd. The Co50Pd50 NPs had an oxidation peak at 0.4 V with a peak current density of 774 A/g(Pd). As a comparison, commercial Pd catalysts showed an oxidation peak at 0.75 V with peak current density of only 254 A/g(Pd). The synthesis procedure could also be extended to prepare CuPd NPs when Co(acac)(2) was replaced by Cu(ac)(2) (ac = acetate) in an otherwise identical condition. The CuPd NPs were less active catalysts than CoPd or even Pd for FAO in HClO4 solution. The synthesis provides a general approach to Pd-based bimetallic NPs and will enable further investigation of Pd-based alloy NPs for electro-oxidation and other catalytic reactions. C1 [Mazumder, Vismadeb; Mankin, Max N.; Liu, Yi; Sun, Shouheng] Brown Univ, Dept Chem, Providence, RI 02912 USA. [Chi, Miaofang; More, Karren L.] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Metin, Onder] Ataturk Univ, Dept Chem, Fac Sci, TR-25240 Erzurum, Turkey. [Sun, Daohua] Xiamen Univ, Coll Chem & Chem Engn, Xiamen 361005, Peoples R China. RP Sun, SH (reprint author), Brown Univ, Dept Chem, Providence, RI 02912 USA. EM ssun@brown.edu RI Chi, Miaofang/Q-2489-2015; More, Karren/A-8097-2016 OI Chi, Miaofang/0000-0003-0764-1567; More, Karren/0000-0001-5223-9097 FU U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy; "The Scientific and Technological Research Council of Turkey" (TUBITAK) [2214]; ORNL; Office of Basic Energy Sciences, U.S. Department of Energy FX This work was supported in part by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Fuel Cell Technologies Program. O.M. thanks "The Scientific and Technological Research Council of Turkey" (TUBITAK) for 2214-Research fellowship program. Microscopy research was supported in part by ORNL's Shared Research Equipment (ShaRE) User Facility, which is sponsored by the Office of Basic Energy Sciences, U.S. Department of Energy. NR 20 TC 116 Z9 121 U1 37 U2 280 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1530-6984 J9 NANO LETT JI Nano Lett. PD FEB PY 2012 VL 12 IS 2 BP 1102 EP 1106 DI 10.1021/nl2045588 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 887XW UT WOS:000299967800097 PM 22276672 ER PT J AU Ghosh, S Das, D Kao, SC Ganguly, AR AF Ghosh, Subimal Das, Debasish Kao, Shih-Chieh Ganguly, Auroop R. TI Lack of uniform trends but increasing spatial variability in observed Indian rainfall extremes SO NATURE CLIMATE CHANGE LA English DT Article ID PRECIPITATION EXTREMES; CLIMATE-CHANGE; MODEL SIMULATIONS; FREQUENCY; INTENSITY AB Recent studies disagree on how rainfall extremes over India have changed in space and time over the past half century'', as well as on whether the changes observed are due to global warming(5,6) or regional urbanization(7). Although a uniform and consistent decrease in moderate rainfall has been reported, a lack of agreement about trends in heavy rainfall may be due in part to differences in the characterization and spatial averaging of extremes. Here we use extreme value theory(8-15) to examine trends in Indian rainfall over the past half century in the context of long-term, low-frequency variability. We show that when generalized extreme value theory(8,16-18) is applied to annual maximum rainfall over India, no statistically significant spatially uniform trends are observed, in agreement with previous studies using different approaches(2-4). Furthermore, our space-time regression analysis of the return levels points to increasing spatial variability of rainfall extremes over India. Our findings highlight the need for systematic examination of global versus regional drivers of trends in Indian rainfall extremes, and may help to inform flood hazard preparedness and water resource management in the region. C1 [Ganguly, Auroop R.] Northeastern Univ, Boston, MA 02115 USA. [Das, Debasish] Temple Univ, Philadelphia, PA 19122 USA. [Kao, Shih-Chieh] Oak Ridge Natl Lab, Oak Ridge, TN 37831 USA. [Ghosh, Subimal] Indian Inst Technol, Bombay 400076, Maharashtra, India. RP Ganguly, AR (reprint author), Northeastern Univ, SN400,360 Huntington Ave, Boston, MA 02115 USA. EM a.ganguly@neu.edu RI Kao, Shih-Chieh/B-9428-2012; OI Kao, Shih-Chieh/0000-0002-3207-5328; Ghosh, Subimal/0000-0002-5722-1440 FU ORNL; National Science Foundation [1029166]; DST-India FX The research was mostly completed when all authors were at Oak Ridge National Laboratory (ORNL) and financially supported by the ORNL (managed by UT-Battelle for US Department of Energy) Laboratory Directed Research and Development programme, National Science Foundation award 1029166, and BOYCAST fellowship of DST-India. E. Kodra and J. Tolen provided helpful comments. NR 30 TC 59 Z9 61 U1 2 U2 26 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1758-678X J9 NAT CLIM CHANGE JI Nat. Clim. Chang. PD FEB PY 2012 VL 2 IS 2 BP 86 EP 91 DI 10.1038/NCLIMATE1327 PG 6 WC Environmental Sciences; Environmental Studies; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 895TU UT WOS:000300520100018 ER PT J AU Zhou, JZ Xue, K Xie, JP Deng, Y Wu, LY Cheng, XH Fei, SF Deng, SP He, ZL Van Nostrand, JD Luo, YQ AF Zhou, Jizhong Xue, Kai Xie, Jianping Deng, Ye Wu, Liyou Cheng, Xiaoli Fei, Shenfeng Deng, Shiping He, Zhili Van Nostrand, Joy D. Luo, Yiqi TI Microbial mediation of carbon-cycle feedbacks to climate warming SO NATURE CLIMATE CHANGE LA English DT Article ID SOIL RESPIRATION; ELEVATED CO2; ECOSYSTEM; DIVERSITY; RESPONSES; ACCLIMATION; COMMUNITIES; IMPACTS; PRAIRIE; GEOCHIP AB Understanding the mechanisms of biospheric feedbacks to climate change is critical to project future climate warming(1-3). Although microorganisms catalyse most biosphere processes related to fluxes of greenhouse gases, little is known about the microbial role in regulating future climate change(4). Integrated metagenomic and functional analyses of a long-term warming experiment in a grassland ecosystem showed that microorganisms play crucial roles in regulating soil carbon dynamics through three primary feedback mechanisms: shifting microbial community composition, which most likely led to the reduced temperature sensitivity of heterotrophic soil respiration; differentially stimulating genes for degrading labile but not recalcitrant carbon so as to maintain long-term soil carbon stability and storage; and enhancing nutrient-cycling processes to promote plant nutrient-use efficiency and hence plant growth. Elucidating microbially mediated feedbacks is fundamental to understanding ecosystem responses to climate warming and provides a mechanistic basis for carbon-climate modelling. C1 [Zhou, Jizhong; Xue, Kai; Xie, Jianping; Deng, Ye; Wu, Liyou; He, Zhili; Van Nostrand, Joy D.] Univ Oklahoma, Inst Environm Genom, Norman, OK 73019 USA. [Zhou, Jizhong; Xue, Kai; Xie, Jianping; Deng, Ye; Wu, Liyou; Cheng, Xiaoli; Fei, Shenfeng; He, Zhili; Van Nostrand, Joy D.; Luo, Yiqi] Univ Oklahoma, Dept Bot & Microbiol, Norman, OK 73019 USA. [Zhou, Jizhong] Lawrence Berkeley Natl Lab, Div Earth Sci, Berkeley, CA 94270 USA. [Zhou, Jizhong] Tsinghua Univ, Sch Environm, State Key Joint Lab Environm Simulat & Pollut Con, Beijing 100084, Peoples R China. [Xie, Jianping] Cent S Univ, Sch Mineral Proc & Bioengn, Changsha 410083, Hunan, Peoples R China. [Cheng, Xiaoli] Chinese Acad Sci, Wuhan Bot Garden, Key Lab Aquat Bot & Watershed Ecol, Wuhan 430074, Peoples R China. [Deng, Shiping] Oklahoma State Univ, Dept Plant & Soil Sci, Stillwater, OK 74078 USA. RP Zhou, JZ (reprint author), Univ Oklahoma, Inst Environm Genom, Norman, OK 73019 USA. EM jzhou@ou.edu RI Deng, Ye/A-2571-2013; He, Zhili/C-2879-2012; Van Nostrand, Joy/F-1740-2016; OI Van Nostrand, Joy/0000-0001-9548-6450; ?, ?/0000-0002-7584-0632 FU US Department of Energy, Biological Systems Research [DE-SC0004601]; Oklahoma Bioenergy Center (OBC); ENIGMA-Ecosystems and Networks Integrated with Genes and Molecular Assemblies through the Office of Science, Office of Biological and Environmental Research; US Department of Energy [DE-AC02-05CH11231]; US Department of Agriculture through the NSF-USDA [2007-35319-18305] FX This work is supported by the US Department of Energy, Biological Systems Research on the Role of Microbial Communities in Carbon Cycling Program (DE-SC0004601), and Oklahoma Bioenergy Center (OBC). The GeoChips and associated computational pipelines used in this study were supported by ENIGMA-Ecosystems and Networks Integrated with Genes and Molecular Assemblies through the Office of Science, Office of Biological and Environmental Research, the US Department of Energy under Contract No. DE-AC02-05CH11231 and by the US Department of Agriculture (Project 2007-35319-18305) through the NSF-USDA Microbial Observatories Program. NR 30 TC 127 Z9 148 U1 36 U2 283 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1758-678X J9 NAT CLIM CHANGE JI Nat. Clim. Chang. PD FEB PY 2012 VL 2 IS 2 BP 106 EP 110 DI 10.1038/NCLIMATE1331 PG 5 WC Environmental Sciences; Environmental Studies; Meteorology & Atmospheric Sciences SC Environmental Sciences & Ecology; Meteorology & Atmospheric Sciences GA 895TU UT WOS:000300520100022 ER PT J AU Kurien, S Smith, LM AF Kurien, S. Smith, L. M. TI Asymptotics of unit Burger number rotating and stratified flows for small aspect ratio SO PHYSICA D-NONLINEAR PHENOMENA LA English DT Article DE Rotating flows; Stratified flows; Burger number 1 flows; Small-aspect-ratio flows ID INTERMEDIATE MODELS; TURBULENCE; DYNAMICS; SIMULATION; ATMOSPHERE; FLUID AB Rotating and stably stratified Boussinesq flow is investigated for Burger number unity in domain aspect ratio (height/horizontal length) delta < 1 and delta = 1. To achieve Burger number unity, the non-dimensional rotation and stratification frequencies (Rossby and Froude numbers, respectively) are both set equal to a second small parameter epsilon < 1. Non-dimensionalization of potential vorticity distinguishes contributions proportional to (epsilon delta)(-1), delta(-1) and O(1). The (epsilon delta)(-1) terms are the linear terms associated with the pseudopotential vorticity of the quasi-geostrophic limit. For fixed delta = 1/4 and a series of decreasing a, numerical simulations are used to assess the importance of the delta(-1) contribution of potential vorticity to the potential enstrophy. The change in the energy spectral scalings is studied as epsilon is decreased. For intermediate values of epsilon, as the flow transitions to the (delta epsilon)(-1) regime in potential vorticity, both the wave and vortical components of the energy spectrum undergo changes in their scaling behavior. For sufficiently small epsilon, the (delta epsilon)(-1) contributions dominate the potential vorticity, and the vortical mode spectrum recovers k(-3) quasi-geostrophic scaling. However, the wave mode spectrum shows scaling that is very different from the well-known k(-1) scaling observed for the same asymptotics at delta = 1. Visualization of the wave component of the horizontal velocity at delta = 1/4 reveals a tendency toward a layered structure while there is no evidence of layering in the delta = 1 case. The investigation makes progress toward quantifying the effects of aspect ratio delta on the epsilon -> 0 asymptotics for the wave component of unit Burger number flows. At the lowest value of epsilon = 0.002, it is shown that the horizontal kinetic energy spectral scalings are consistent with phenomenology that explains how linear potential vorticity constrains energy in the limit E epsilon -> 0 for fixed delta. Published by Elsevier B.V. C1 [Kurien, S.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87501 USA. [Smith, L. M.] Univ Wisconsin, Dept Math & Engn Phys, Madison, WI USA. RP Kurien, S (reprint author), Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87501 USA. EM skurien@lanl.gov; lsmith@math.wisc.edu NR 45 TC 5 Z9 5 U1 0 U2 2 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-2789 J9 PHYSICA D JI Physica D PD FEB 1 PY 2012 VL 241 IS 3 SI SI BP 149 EP 163 DI 10.1016/j.physd.2011.06.008 PG 15 WC Mathematics, Applied; Physics, Multidisciplinary; Physics, Mathematical SC Mathematics; Physics GA 899LA UT WOS:000300816200004 ER PT J AU Odier, P Chen, J Ecke, RE AF Odier, P. Chen, J. Ecke, R. E. TI Understanding and modeling turbulent fluxes and entrainment in a gravity current SO PHYSICA D-NONLINEAR PHENOMENA LA English DT Article DE Mixing; Gravity current; Mixing length; Entrainment; Oceanic circulation ID STRATIFIED ENVIRONMENTS; SHEAR FLOWS; EVOLUTION; SLOPES; NUMBER; LAYERS; FLUID AB We present an experimental study of the mixing processes in a gravity current flowing on an inclined plane. The turbulent transport of momentum and density can be described in a very direct and compact form by a Prandtl mixing length model: the turbulent vertical fluxes of momentum and density are found to scale quadratically with the vertical mean gradients of velocity and density. The scaling coefficient, the square of the mixing length, is approximately constant over the mixing zone of the stratified shear layer. We show how, in different flow configurations, this length can be related to the shear length of the flow (epsilon/partial derivative(z)u(3))(1/2). We also study the fluctuations of the momentum and density turbulent fluxes, showing how they relate to mixing and to the entrainment/detrainment balance. We suggest a quantitative measure of local entrainment and detrainment derived from observed conditional correlations of density flux and density or vertical velocity fluctuations. (C) 2011 Elsevier B.V. All rights reserved. C1 [Odier, P.] Ecole Normale Super Lyon, Phys Lab, F-69364 Lyon 07, France. [Chen, J.; Ecke, R. E.] Los Alamos Natl Lab, Condensed Matter & Thermal Phys Grp, Los Alamos, NM 87545 USA. [Chen, J.; Ecke, R. E.] Los Alamos Natl Lab, Ctr Nonlinear Studies, Los Alamos, NM 87545 USA. [Chen, J.] Purdue Univ, Sch Mech Engn, W Lafayette, IN 47907 USA. RP Odier, P (reprint author), Ecole Normale Super Lyon, Phys Lab, 46 Allee Italie, F-69364 Lyon 07, France. EM podier@ens-lyon.fr OI Ecke, Robert/0000-0001-7772-5876 FU US Department of Energy [DE-AC52-06NA25396] FX We acknowledge useful discussions with H. Aluie, J.-F. Pinton and M. Rivera. Work performed at Los Alamos National Laboratory was funded by the US Department of Energy under Contract No. DE-AC52-06NA25396. NR 28 TC 7 Z9 7 U1 2 U2 21 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0167-2789 EI 1872-8022 J9 PHYSICA D JI Physica D PD FEB 1 PY 2012 VL 241 IS 3 SI SI BP 260 EP 268 DI 10.1016/j.physd.2011.07.010 PG 9 WC Mathematics, Applied; Physics, Multidisciplinary; Physics, Mathematical SC Mathematics; Physics GA 899LA UT WOS:000300816200017 ER PT J AU D'Souza, SW Nayak, J Maniraj, M Rai, A Dhaka, RS Barman, SR Schlagel, DL Lograsso, TA Chakrabarti, A AF D'Souza, S. W. Nayak, J. Maniraj, M. Rai, Abhishek Dhaka, R. S. Barman, S. R. Schlagel, D. L. Lograsso, T. A. Chakrabarti, Aparna TI Ni2MnGa(100) ferromagnetic shape memory alloy: A surface study SO SURFACE SCIENCE LA English DT Article DE Photoemission spectroscopy; Low energy electron diffraction; Ferromagnetic shape memory alloy; Density functional theory; Martensite transition ID NI-MN-GA; FIELD-INDUCED STRAIN; CRYSTAL-STRUCTURE; PHASE-TRANSITIONS; MARTENSITIC-TRANSFORMATION; PREMARTENSITIC TRANSITION; COMPOUND NI2MNGA; SINGLE-CRYSTALS; NI2+XMN1-XGA; MN2NIGA AB Ni2MnGa(100) single crystal studied using low energy electron diffraction (LEED) and ultraviolet photoemission spectroscopy (UPS) exhibits interesting modification of the surface properties that are mainly influenced by surface composition as well as intrinsic effects. In the martensite phase, the LEED spot profiles show presence of an incommensurate modulation for the stoichiometric surface. In contrast, a commensurate modulation is observed for Mn-excess Ni-Mn-Ga surface. A pre-martensite phase is identified at the surface. Both the surface martensitic and pre-martensitic transition temperatures decrease as the Mn content increases. The UPS spectra in the austenite phase exhibit systematic change in shape as a function of surface composition that can be related to changes in the hybridization between Ni and Mn 3d states. The spectra in the martensite phase exhibit interesting modifications near the Fermi level, which has been compared to density of states calculated for a modulated structure by ab-initio density functional theory. Intrinsic surface properties dissimilar from the bulk are enhanced hysteresis width of the martensite transition and increased pre-martensitic transition temperature. (C) 2011 Elsevier B.V. All rights reserved. C1 [D'Souza, S. W.; Nayak, J.; Maniraj, M.; Rai, Abhishek; Dhaka, R. S.; Barman, S. R.] UGC DAE Consortium Sci Res, Indore 452001, Madhya Pradesh, India. [Schlagel, D. L.; Lograsso, T. A.] Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. [Chakrabarti, Aparna] Raja Ramanna Ctr Adv Technol, Indore 452013, Madhya Pradesh, India. RP Barman, SR (reprint author), UGC DAE Consortium Sci Res, Khandwa Rd, Indore 452001, Madhya Pradesh, India. EM barmansr@gmail.com RI Dhaka, Rajendra/F-9018-2011; Chakrabarti, Aparna/B-2227-2010; Dhaka, Rajendra/C-2486-2013; M, MANIRAJ/C-2684-2011; Roy Barman, Sudipta/B-2026-2010 FU Max Planck Institute, Germany; Department of 20 Science and Technology, Government of India FX K. Horn, M. Schonberg, S. Singh, A. M. Awasthi, and C. Kamal are thanked for support and useful discussions. Fundings from Max Planck Institute, Germany and Department of 20 Science and Technology, Government of India are thankfully acknowledged. S.W.D. and J. N. thank C.S.I.R. for research fellowship. NR 48 TC 10 Z9 10 U1 2 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 EI 1879-2758 J9 SURF SCI JI Surf. Sci. PD FEB PY 2012 VL 606 IS 3-4 BP 130 EP 136 DI 10.1016/j.susc.2011.07.023 PG 7 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 894WQ UT WOS:000300458600006 ER PT J AU Michalak, WD Miller, JB Alfonso, DR Gellman, AJ AF Michalak, W. D. Miller, J. B. Alfonso, D. R. Gellman, A. J. TI Uptake, transport, and release of hydrogen from Pd(100) SO SURFACE SCIENCE LA English DT Article DE Hydrogen transport kinetics; Palladium; Temperature programmed desorption; Hydrogen storage; Hydrogen separation membranes ID DIRECT SUBSURFACE ABSORPTION; PROGRAMMED DESORPTION SPECTRA; METAL-SURFACES; CHEMISORBED HYDROGEN; QUANTUM DYNAMICS; PD(111) SURFACE; SINGLE-CRYSTAL; ADSORPTION; PALLADIUM; TRANSITION AB Understanding the interactions of hydrogen atoms with the surface and the subsurface regions of Pd is critical to the development of advanced energy technologies for hydrogen storage, hydrogen separations, and catalytic conversion processes. While many of the physical and chemical characteristics of the H-2-Pd system are known, the kinetics and thermodynamics of H atom absorption into the bulk, transport from the bulk back to the surface, and desorption from the surface remain unclear. In this work, the kinetics of D-2 release from Pd following exposure to D-2 over a range of pressures and temperatures were measured using temperature programmed desorption. To accurately simulate the kinetics of D-2 release, the continuum-based model of Mavrikakis, et al. (J. Chem. Phys 105, 8398, 1996) was extended to include activation barriers for desorption and transport that depend on D atom concentration in the surface, subsurface and bulk regions of the Pd. The use of concentration dependent barriers improves the ability of the model to predict the hydrogen uptake and release kinetics observed across temperatures ranging from 100 to 600 K. (C) 2011 Elsevier B.V. All rights reserved. C1 [Michalak, W. D.; Miller, J. B.; Gellman, A. J.] Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. [Michalak, W. D.; Miller, J. B.; Alfonso, D. R.; Gellman, A. J.] US DOE, Natl Energy Technol Lab, Pittsburgh, PA 15236 USA. RP Gellman, AJ (reprint author), Carnegie Mellon Univ, Dept Chem Engn, Pittsburgh, PA 15213 USA. EM gellman@cmu.edu RI Gellman, Andrew/M-2487-2014 OI Gellman, Andrew/0000-0001-6618-7427 FU National Energy Technology Laboratory under RDS [DE-AC26-04NT41817]; National Energy Technology Laboratory under RES [DE-FE0004000] FX This technical effort was performed in support of the National Energy Technology Laboratory's on-going research in Computational and Basic Sciences under the RDS contract DE-AC26-04NT41817 and RES contract DE-FE0004000. WDM would like to thank Dr. Bryan Morreale and Professor Michael Widom for their helpful discussions, and Dr. Balaji Sukumar for his help with Comsol. NR 60 TC 9 Z9 9 U1 1 U2 41 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 EI 1879-2758 J9 SURF SCI JI Surf. Sci. PD FEB PY 2012 VL 606 IS 3-4 BP 146 EP 155 DI 10.1016/j.susc.2011.08.022 PG 10 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 894WQ UT WOS:000300458600008 ER PT J AU Enterkin, JA Becerra-Toledo, AE Poeppelmeier, KR Marks, LD AF Enterkin, James A. Becerra-Toledo, Andres E. Poeppelmeier, Kenneth R. Marks, Laurence D. TI A chemical approach to understanding oxide surfaces SO SURFACE SCIENCE LA English DT Article DE Bond valence sum; Coordination; Chemical bond; Surface structure; Metal oxide ID SRTIO3(001) AB Chemical bonding has often been ignored in favor of physics based energetic considerations in attempts to understand the structure, stability, and reactivity of oxide surfaces. Herein, we analyze the chemical bonding in published structures of the SrTiO3, MgO, and NiO surfaces using bond valence sum (BVS) analysis. These simple chemical bonding theories compare favorably with far more complex quantum mechanical calculations in assessing surface structure stability. Further, the coordination and bonding of surface structures explains the observed stability in a readily comprehensible manner. Finally, we demonstrate how simple chemical bonding models accurately predict the adsorption of foreign species onto surfaces, and how such models can be used to predict changes in surface structures. (C) 2011 Elsevier B.V. All rights reserved. C1 [Enterkin, James A.; Poeppelmeier, Kenneth R.; Marks, Laurence D.] Northwestern Univ, Inst Catalysis Energy Proc, Evanston, IL 60208 USA. [Enterkin, James A.; Poeppelmeier, Kenneth R.; Marks, Laurence D.] Northwestern Univ, Ctr Catalysis & Surface Sci, Evanston, IL 60208 USA. [Enterkin, James A.; Poeppelmeier, Kenneth R.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Enterkin, James A.; Poeppelmeier, Kenneth R.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. [Becerra-Toledo, Andres E.; Marks, Laurence D.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. RP Marks, LD (reprint author), Northwestern Univ, Inst Catalysis Energy Proc, 2137 Sheridan Rd, Evanston, IL 60208 USA. EM l-marks@northwestern.edu RI Marks, Laurence/B-7527-2009 FU Institute for Catalysis in Energy Processing; US Department of Energy, Office of Basic Energy Science [DE-FG02-03-ER15457]; Department of Entergy [DE-FG02-01ER45945]; National Science Foundation [DMR 0906306]; Argonne National Laboratory FX This work was supported primarily by the Institute for Catalysis in Energy Processing, a collaborative research effort between the Northwestern University Center for Catalysis and Surface Science and Argonne National Laboratory, funded through the US Department of Energy, Office of Basic Energy Science (award number DE-FG02-03-ER15457). AEB acknowledges support by the Department of Entergy on Grant Number DE-FG02-01ER45945. We also acknowledge funding for a computational cluster for the DFT calculations from the National Science Foundation on Grant Number DMR 0906306 and the Department of Entergy on Grant Number DE-FG02-01 ER45945. JAE acknowledges support from Argonne National Laboratory. The submitted manuscript has been created by Argonne National Laboratory, a U.S. Department of Energy Office of Science Laboratory, operated by UChicago Argonne, LLC. The U.S. Government retains for itself, and others acting on its behalf, a paid-up nonexclusive, irrevocable worldwide license in said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the Government. NR 97 TC 17 Z9 17 U1 1 U2 28 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 J9 SURF SCI JI Surf. Sci. PD FEB PY 2012 VL 606 IS 3-4 BP 344 EP 355 DI 10.1016/j.susc.2011.10.018 PG 12 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 894WQ UT WOS:000300458600038 ER PT J AU Kim, J Khajetoorians, AA Zhu, WG Zhang, ZY Shih, CK AF Kim, Jisun Khajetoorians, Alexander Ako Zhu, Wenguang Zhang, Zhenyu Shih, Chih-Kang TI Atomic scale control of catalytic process in oxidation of Pb thin films SO SURFACE SCIENCE LA English DT Article DE Cesium; Lead; Oxygen; Scanning tunneling microscopy (STM); Catalysis ID AUGMENTED-WAVE METHOD; SURFACE; CLUSTERS; GOLD; ADSORPTION; ENERGETICS; TITANIA; ALLOYS AB Using scanning tunneling microscopy (STM), we demonstrate that oxidation on Pb films is greatly enhanced by atomic Cs catalysts. With only a minute concentration of isolated Cs substitutional atoms in the surface layer (0.004 ML coverage), surface oxidation rates are greatly enhanced. First-principles density functional theory (DFT) calculations reveal that a substitutional Cs atom strongly increases O-2 binding on the surface. Then, with additional oxygen exposure this substitutional Cs-initiated oxidation process results in growth of PbO layers in an auto-catalytic manner. Furthermore, we investigate the role of temperature in the oxidation of the Pb films with and without Cs, and we explore the overall morphology of the resultant oxide layers. (C) 2011 Elsevier B.V. All rights reserved. C1 [Kim, Jisun; Khajetoorians, Alexander Ako; Shih, Chih-Kang] Univ Texas Austin, Dept Phys, Austin, TX 78712 USA. [Zhu, Wenguang; Zhang, Zhenyu] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Zhu, Wenguang] Oak Ridge Natl Lab, Div Mat Sci & Technol, Oak Ridge, TN 37831 USA. [Zhang, Zhenyu] Univ Sci & Technol China, ICQD HFNL, Hefei 230026, Anhui, Peoples R China. RP Shih, CK (reprint author), Univ Texas Austin, Dept Phys, Austin, TX 78712 USA. EM shih@physics.utexas.edu RI Kim, Jisun/A-8774-2014; Zhu, Wenguang/F-4224-2011; Khajetoorians, Alexander/F-9698-2015 OI Kim, Jisun/0000-0002-5810-1512; Zhu, Wenguang/0000-0003-0819-595X; FU NSF [DMR-0906025, DGE-0549417]; Welch Foundation [F-1672]; Division of Materials Science and Engineering, Office of Basic Energy Sciences, US Department of Energy FX This work was funded by NSF Grants No, DMR-0906025, No. DGE-0549417 and Welch Foundation Grant No. F-1672. W.G.Z. was supported by the Division of Materials Science and Engineering, Office of Basic Energy Sciences, US Department of Energy. The calculations were performed at NERSC of DOE. NR 34 TC 0 Z9 0 U1 0 U2 23 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 EI 1879-2758 J9 SURF SCI JI Surf. Sci. PD FEB PY 2012 VL 606 IS 3-4 BP 450 EP 455 DI 10.1016/j.susc.2011.11.005 PG 6 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 894WQ UT WOS:000300458600052 ER PT J AU Henderson, MA AF Henderson, Michael A. TI Visible light induced photodesorption of NO from the alpha-Cr2O3(0001) surface SO SURFACE SCIENCE LA English DT Article DE Chromium oxide; Photochemistry; Nitric oxide; Temperature programmed desorption; Photodesorption ID LASER-INDUCED DESORPTION; ENERGY-ELECTRON DIFFRACTION; INITIO TOTAL-ENERGY; OXIDE SURFACES; AB-INITIO; CR2O3(0001) SURFACE; PHOTOINDUCED REACTIONS; ROTATIONAL ALIGNMENT; TIO2 PHOTOCATALYSIS; TITANIUM-DIOXIDE AB Nitric oxide chemistry and photochemistry on the Cr-terminated surface of alpha-Cr2O3(0001) were examined using temperature programmed desorption (TPD), sticking coefficient measurements and photodesorption. NO exposed to alpha-Cr2O3(0001) at 100 K binds at surface Cr cation sites forming a strongly bound surface species that thermally desorbs at 320-340 K, depending on coverage. No thermal decomposition was detected in TPD in agreement with previous results in the literature. Sticking probability measurements at 100 K indicated near unity sticking for NO up to coverages of similar to 1.3 ML, with additional adsorption with higher exposures at decreased sticking probability. These results suggest that some Cr cation sites on the alpha-Cr2O3(0001) surface were capable of binding more than one NO molecule, although it is unclear whether this was as separate NO molecules or as dimers. Photodesorption of adsorbed NO was examined for surface coverages below the 1 ML point. Both visible and UV light were shown to photodesorb NO without detectable NO photodecomposition. Visible light photodesorption of NO occurred with a greater cross section than estimated using UV light. The visible light photodesorption event was not associated with bandgap excitation in alpha-Cr2O3(0001), but instead was linked to excitation of a surface Cr3+-NO- charge transfer complex. These results illustrate that localized photoabsorption events at surface sites with unique optical properties (relative to the bulk) can result in unexpected surface photochemistry. (C) 2011 Elsevier B.V. All rights reserved. C1 Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. RP Henderson, MA (reprint author), Pacific NW Natl Lab, Div Chem & Mat Sci, Richland, WA 99352 USA. EM ma.henderson@pnnl.gov NR 69 TC 8 Z9 8 U1 2 U2 32 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 J9 SURF SCI JI Surf. Sci. PD FEB PY 2012 VL 606 IS 3-4 BP 505 EP 509 DI 10.1016/j.susc.2011.11.019 PG 5 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 894WQ UT WOS:000300458600062 ER PT J AU Chambers, SA Droubay, TC Capan, C Sun, GY AF Chambers, S. A. Droubay, T. C. Capan, C. Sun, G. Y. TI Unintentional F doping of SrTiO3(001) etched in HF acid-structure and electronic properties SO SURFACE SCIENCE LA English DT Article DE Strontium titanate; Surface preparation; X-ray photoemission ID RAY PHOTOELECTRON DIFFRACTION; GAAS(001) SURFACES; INTERFACE AB We show that the HF acid etch commonly used to prepare SrTiO3(001) for heteroepitaxial growth of complex oxides results in a non-negligible level of F doping within the terminal surface layer of TiO2. Using a combination of x-ray photoelectron spectroscopy and scanned angle x-ray photoelectron diffraction, we determine that on average similar to 13% of the O anions in the surface layer are replaced by F. but that F does not occupy O sites in deeper layers. Despite this perturbation to the surface, the Fermi level remains unpinned, and the surface-state density, which determines the amount of band bending, is driven by factors other than F doping. The presence of F at the STO surface is expected to result in lower electron mobilities at complex oxide hetero-junctions involving STO substrates because of impurity scattering. Unintentional F doping can be substantially reduced by replacing the HF-etch step with a boil in deionized water, which in conjunction with an oxygen tube furnace anneal, leaves the surface flat and TiO2 terminated. (C) 2011 Elsevier B.V. All rights reserved. C1 [Chambers, S. A.; Droubay, T. C.] Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. [Capan, C.] Washington State Univ, Dept Phys, Pullman, WA 99164 USA. [Sun, G. Y.] Nanjing Univ Sci & Technol, Dept Mat Sci & Engn, Nanjing, Jiangsu, Peoples R China. RP Chambers, SA (reprint author), Pacific NW Natl Lab, Fundamental & Computat Sci Directorate, Richland, WA 99352 USA. EM sa.chambers@pnnl.gov RI Droubay, Tim/D-5395-2016 OI Droubay, Tim/0000-0002-8821-0322 FU U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [10122]; Department of Energy's Office of Biological and Environmental Research at Pacific Northwest National Laboratory FX The authors thank Prof. Paul Lyman and Dr. Yingge Du for a critical reading of the manuscript. This work was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award number 10122, and was performed in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. NR 23 TC 29 Z9 29 U1 3 U2 59 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0039-6028 J9 SURF SCI JI Surf. Sci. PD FEB PY 2012 VL 606 IS 3-4 BP 554 EP 558 DI 10.1016/j.susc.2011.11.029 PG 5 WC Chemistry, Physical; Physics, Condensed Matter SC Chemistry; Physics GA 894WQ UT WOS:000300458600070 ER PT J AU Peltoniemi, M Pulkkinen, M Kolari, P Duursma, RA Montagnani, L Wharton, S Lagergren, F Takagi, K Verbeeck, H Christensen, T Vesala, T Falk, M Loustau, D Makela, A AF Peltoniemi, Mikko Pulkkinen, Minna Kolari, Pasi Duursma, Remko A. Montagnani, Leonardo Wharton, Sonia Lagergren, Fredrik Takagi, Kentaro Verbeeck, Hans Christensen, Torben Vesala, Timo Falk, Matthias Loustau, Denis Makela, Annikki TI Does canopy mean nitrogen concentration explain variation in canopy light use efficiency across 14 contrasting forest sites? SO TREE PHYSIOLOGY LA English DT Article DE canopy nitrogen concentration; eddy covariance; gross primary production; light use efficiency; quantum yield; vegetation productivity ID LEAF-AREA INDEX; GROSS PRIMARY PRODUCTION; OLD-GROWTH FOREST; PHOTOSYNTHETICALLY ACTIVE RADIATION; NET ECOSYSTEM EXCHANGE; LONG-TERM MEASUREMENTS; SIBERIAN PINE FOREST; SCOTS PINE; PACIFIC-NORTHWEST; CARBON BALANCE AB The maximum light use efficiency (LUE = gross primary production (GPP)/absorbed photosynthetic photon flux density (aPPFD)) of plant canopies has been reported to vary spatially and some of this variation has previously been attributed to plant species differences. The canopy nitrogen concentration [N] can potentially explain some of this spatial variation. However, the current paradigm of the N-effect on photosynthesis is largely based on the relationship between photosynthetic capacity (A(max)) and [N], i.e., the effects of [N] on photosynthesis rates appear under high PPFD. A maximum LUE-[N] relationship, if it existed, would influence photosynthesis in the whole range of PPFD. We estimated maximum LUE for 14 eddy-covariance forest sites, examined its [N] dependency and investigated how the [N]-maximum LUE dependency could be incorporated into a GPP model. In the model, maximum LUE corresponds to LUE under optimal environmental conditions before light saturation takes place (the slope of GPP vs. PPFD under low PPFD). Maximum LUE was higher in deciduous/mixed than in coniferous sites, and correlated significantly with canopy mean [N]. Correlations between maximum LUE and canopy [N] existed regardless of daily PPFD, although we expected the correlation to disappear under low PPFD when LUE was also highest. Despite these correlations, including [N] in the model of GPP only marginally decreased the root mean squared error. Our results suggest that maximum LUE correlates linearly with canopy [N], but that a larger body of data is required before we can include this relationship into a GPP model. Gross primary production will therefore positively correlate with [N] already at low PPFD, and not only at high PPFD as is suggested by the prevailing paradigm of leaf-level A(max)-[N] relationships. This finding has consequences for modelling GPP driven by temporal changes or spatial variation in canopy [N]. C1 [Peltoniemi, Mikko; Pulkkinen, Minna; Kolari, Pasi; Makela, Annikki] Univ Helsinki, Dept Forest Sci, FI-00014 Helsinki, Finland. [Peltoniemi, Mikko] Finnish Forest Res Inst, Vantaa Res Unit, FIN-01301 Vantaa, Finland. [Duursma, Remko A.] Univ Western Sydney, Hawkesbury Inst Environm, Penrith, NSW 2751, Australia. [Montagnani, Leonardo] Free Univ Bozen Bolzano, Fac Sci & Technol, Bolzano, Italy. [Montagnani, Leonardo] Forest Serv & Agcy Environm, Bolzano, Italy. [Wharton, Sonia] Lawrence Livermore Natl Lab, Atmospher Earth & Energy Div, Livermore, CA USA. [Lagergren, Fredrik; Christensen, Torben] Lund Univ, Geobiosphere Sci Ctr, Dept Phys Geog & Ecosyst Anal, Lund, Sweden. [Takagi, Kentaro] Hokkaido Univ, Field Sci Ctr No Biosphere, Sapporo, Hokkaido, Japan. [Verbeeck, Hans] Univ Ghent, Dept Appl Ecol & Environm Biol, Plant Ecol Lab, B-9000 Ghent, Belgium. [Verbeeck, Hans] Univ Antwerp, Dept Biol, Res Grp Plant & Vegetat Ecol, B-2610 Antwerp, Belgium. [Vesala, Timo] Univ Helsinki, Dept Phys, FI-00014 Helsinki, Finland. [Falk, Matthias] Univ Calif Davis, Davis, CA 95616 USA. [Loustau, Denis] EPHYSE, INRA, UR1263, Villenave Dornon, France. RP Peltoniemi, M (reprint author), Univ Helsinki, Dept Forest Sci, POB 27, FI-00014 Helsinki, Finland. EM mikko.peltoniemi@metla.fi RI Takagi, Kentaro/C-2222-2012; Verbeeck, Hans/A-2106-2009; Montagnani, Leonardo/F-1837-2016; Vesala, Timo/C-3795-2017; OI Verbeeck, Hans/0000-0003-1490-0168; Montagnani, Leonardo/0000-0003-2957-9071; Vesala, Timo/0000-0002-4852-7464; Duursma, Remko/0000-0002-8499-5580; Kolari, Pasi/0000-0001-7271-633X; Makela, Annikki/0000-0001-9633-7350 FU CARB-BAL (Academy of Finland) [128236]; CarboEurope-IP [GOCE-CT-2003-505572]; Nordic Centre of Excellence NECC (Soro, Hyytiala and Tharandt); REBECCA of the Helsinki University Environment Centre HERC (Hyytiala); Goran Gustavsson Foundation (Abisko), National Institute for Environmental Studies, Japan and Hokkaido Electric FX M.P. was funded by the CARB-BAL project (Academy of Finland, grant decision no. 128236). For the support of the European eddy-covariance sites, we acknowledge the CarboEurope-IP project (GOCE-CT-2003-505572), the Nordic Centre of Excellence NECC (Soro, Hyytiala and Tharandt), the REBECCA project of the Helsinki University Environment Centre HERC (Hyytiala), and Goran Gustavsson Foundation (Abisko), National Institute for Environmental Studies, Japan and Hokkaido Electric. NR 86 TC 7 Z9 9 U1 0 U2 38 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0829-318X J9 TREE PHYSIOL JI Tree Physiol. PD FEB PY 2012 VL 32 IS 2 BP 200 EP 218 DI 10.1093/treephys/tpr140 PG 19 WC Forestry SC Forestry GA 901TD UT WOS:000300988800010 PM 22323526 ER PT J AU Grasby, JA Finger, LD Tsutakawa, SE Atack, JM Tainer, JA AF Grasby, Jane A. Finger, L. David Tsutakawa, Susan E. Atack, John M. Tainer, John A. TI Unpairing and gating: sequence-independent substrate recognition by FEN superfamily nucleases SO TRENDS IN BIOCHEMICAL SCIENCES LA English DT Review ID NUCLEOTIDE EXCISION-REPAIR; STRUCTURE-SPECIFIC ENDONUCLEASE; T5 FLAP ENDONUCLEASE; STRAND-BREAK REPAIR; MESSENGER-RNA DECAY; SACCHAROMYCES-CEREVISIAE; DNA-REPLICATION; CATALYTIC PARAMETERS; DAMAGE RECOGNITION; CRYSTAL-STRUCTURE AB Structure-specific 5'-nucleases form a superfamily of evolutionarily conserved phosphodiesterases that catalyse a precise incision of a diverse range of DNA and RNA substrates in a sequence-independent manner. Superfamily members, such as flap endonucleases, exonuclease 1, DNA repair protein XPG, endonuclease GEN1 and the 5'-3'-exoribonucleases, play key roles in many cellular processes such as DNA replication and repair, recombination, transcription, RNA turnover and RNA interference. In this review, we discuss recent results that highlight the conserved architectures and active sites of the structure-specific 5'-nucleases. Despite substrate diversity, a common gating mechanism for sequence-independent substrate recognition and incision emerges, whereby double nucleotide unpairing of substrates is required to access the active site. C1 [Grasby, Jane A.; Finger, L. David; Atack, John M.] Univ Sheffield, Krebs Inst, Dept Chem, Ctr Chem Biol, Sheffield S3 7HF, S Yorkshire, England. [Tsutakawa, Susan E.; Tainer, John A.] Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Tainer, John A.] Scripps Res Inst, Dept Mol Biol, La Jolla, CA 92037 USA. [Tainer, John A.] Skaggs Inst Chem Biol, La Jolla, CA 92037 USA. RP Grasby, JA (reprint author), Univ Sheffield, Krebs Inst, Dept Chem, Ctr Chem Biol, Sheffield S3 7HF, S Yorkshire, England. EM j.a.grasby@sheffield.ac.uk RI Atack, John/B-7961-2015; OI Atack, John/0000-0002-7994-6995; Finger, L. David/0000-0002-2342-9569 FU BBSRC [BBF0147321]; FP7-Marie Curie International Incoming Fellowship [254386]; National Cancer Institute [RO1CA081967, P01CA092584] FX We thank colleagues working on 5'-nucleases for stimulating insights, inspiration and discussions. Our work is supported by BBSRC grant BBF0147321 (JAG), FP7-Marie Curie International Incoming Fellowship Project No. 254386 (LDF) and National Cancer Institute grants RO1CA081967 and P01CA092584 (JAT). NR 83 TC 25 Z9 25 U1 0 U2 22 PU ELSEVIER SCIENCE LONDON PI LONDON PA 84 THEOBALDS RD, LONDON WC1X 8RR, ENGLAND SN 0968-0004 J9 TRENDS BIOCHEM SCI JI Trends Biochem.Sci. PD FEB PY 2012 VL 37 IS 2 BP 74 EP 84 DI 10.1016/j.tibs.2011.10.003 PG 11 WC Biochemistry & Molecular Biology SC Biochemistry & Molecular Biology GA 900WU UT WOS:000300923200005 PM 22118811 ER PT J AU Daemen, A Timmerman, D Van den Bosch, T Bottomley, C Kirk, E Van Holsbeke, C Valentin, L Bourne, T De Moor, B AF Daemen, Anneleen Timmerman, Dirk Van den Bosch, Thierry Bottomley, Cecilia Kirk, Emma Van Holsbeke, Caroline Valentin, Lil Bourne, Tom De Moor, Bart TI Improved modeling of clinical data with kernel methods SO ARTIFICIAL INTELLIGENCE IN MEDICINE LA English DT Article DE Machine learning; Support vector machine; Kernel function; Biostatistics; Clinical data representation; Clinical decision support system; Gynecology; Breast cancer ID SUPPORT VECTOR MACHINES; LOGISTIC-REGRESSION MODEL; GENE-EXPRESSION SIGNATURE; OVARIAN-TUMOR-ANALYSIS; BREAST-CANCER; DATA FUSION; UNKNOWN LOCATION; INTEGRATION; VALIDATION; DIAGNOSIS AB Objective: Despite the rise of high-throughput technologies, clinical data such as age, gender and medical history guide clinical management for most diseases and examinations. To improve clinical management, available patient information should be fully exploited. This requires appropriate modeling of relevant parameters. Methods: When kernel methods are used, traditional kernel functions such as the linear kernel are often applied to the set of clinical parameters. These kernel functions, however, have their disadvantages due to the specific characteristics of clinical data, being a mix of variable types with each variable its own range. We propose a new kernel function specifically adapted to the characteristics of clinical data. Results: The clinical kernel function provides a better representation of patients' similarity by equalizing the influence of all variables and taking into account the range r of the variables. Moreover, it is robust with respect to changes in r. Incorporated in a least squares support vector machine, the new kernel function results in significantly improved diagnosis, prognosis and prediction of therapy response. This is illustrated on four clinical data sets within gynecology, with an average increase in test area under the ROC curve (AUC) of 0.023, 0.021, 0.122 and 0.019, respectively. Moreover, when combining clinical parameters and expression data in three case studies on breast cancer, results improved overall with use of the new kernel function and when considering both data types in a weighted fashion, with a larger weight assigned to the clinical parameters. The increase in AUC with respect to a standard kernel function and/or unweighted data combination was maximum 0.127, 0.042 and 0.118 for the three case studies. Conclusion: For clinical data consisting of variables of different types, the proposed kernel function which takes into account the type and range of each variable - has shown to be a better alternative for linear and non-linear classification problems. (C) 2011 Elsevier B.V. All rights reserved. C1 [Daemen, Anneleen; De Moor, Bart] Katholieke Univ Leuven, Dept Elect Engn, B-3001 Louvain, Belgium. [Timmerman, Dirk; Van den Bosch, Thierry; Van Holsbeke, Caroline; Bourne, Tom] Katholieke Univ Leuven, Dept Obstet & Gynecol, Univ Hosp Leuven, B-3000 Louvain, Belgium. [Bottomley, Cecilia] St Georges Univ London, Dept Obstet & Gynaecol, Univ London St Georges Hosp, London SW17 0RE, England. [Kirk, Emma] St Georges Univ London, Early Pregnancy & Gynecol Unit, Univ London St Georges Hosp, London SW17 0RE, England. [Van Holsbeke, Caroline] Hosp Oost Limburg, B-3600 Genk, Belgium. [Valentin, Lil] Lund Univ, Malmo Univ Hosp, SE-20502 Malmo, Sweden. [Bourne, Tom] Univ London Imperial Coll Sci Technol & Med, Hammersmith Hosp, London W12 0NN, England. RP Daemen, A (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Dept Canc & DNA Damage Responses, Div Life Sci, 1 Cyclotron Rd, Berkeley, CA 94720 USA. EM anneleen.daemen@gmail.com RI Bourne, Tom/I-6478-2012 OI Bourne, Tom/0000-0003-1421-6059 FU Research Council KUL [CoE EF/05/007]; Flemish Government [G.0241.04, G.0499.04, G.0318.05, G.0302.07]; IWT [070706]; Belgian Federal Science Policy Office [IUAP P6/25]; EU-RTD: ERNSI: European Research Network on System Identification FX AD is research assistant of the Fund for Scientific Research - Flanders (FWO-Vlaanderen). BDM is full professor at the Katholieke Universiteit Leuven, Belgium. This work is partially supported by: (1) Research Council KUL: GOA AMBioRICS, CoE EF/05/007 SymBioSys, PROMETA, several PhD/postdoc & fellow grants. (2) Flemish Government: (a) FWO: PhD/postdoc grants, projects G.0241.04 (Functional Genomics), G.0499.04 (Statistics), G.0318.05 (subfunctionalization), G.0302.07 (SVM/Kernel), research communities (ICCoS, ANMMM, MLDM); (b) IWT: PhD Grants, GBOU-McKnow-E (Knowledge management algorithms), GBOU-ANA (biosensors), TAD-BioScope-IT, Silicos; SBO-BioFrame, SBO-MoKa, TBM-Endometriosis, TBM-ovarian tumors 070706 (IOTA3). (3) Belgian Federal Science Policy Office: IUAP P6/25 (BioMaGNet, Bioinformatics and Modeling: from Genomes to Networks, 2007-2011). (4) EU-RTD: ERNSI: European Research Network on System Identification; FP6-NoE Biopattern; FP6-IP e-Tumors, FP6-MC-EST Bioptrain, FP6-STREP Strokemap. NR 42 TC 8 Z9 8 U1 0 U2 9 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0933-3657 J9 ARTIF INTELL MED JI Artif. Intell. Med. PD FEB PY 2012 VL 54 IS 2 BP 103 EP 114 DI 10.1016/j.artmed.2011.11.001 PG 12 WC Computer Science, Artificial Intelligence; Engineering, Biomedical; Medical Informatics SC Computer Science; Engineering; Medical Informatics GA 896XH UT WOS:000300604200002 PM 22134094 ER PT J AU Ackermann, M Ajello, M Allafort, A Atwood, WB Baldini, L Barbiellini, G Bastieri, D Bechtol, K Bellazzini, R Bhat, PN Blandford, RD Bonamente, E Borgland, AW Bregeon, J Briggs, MS Brigida, M Bruel, P Buehler, R Burgess, JM Buson, S Caliandro, GA Cameron, RA Casandjian, JM Cecchi, C Charles, E Chekhtman, A Chiang, J Ciprini, S Claus, R Cohen-Tanugi, J Connaughton, V Conrad, J Cutini, S Dennis, BR de Palma, F Dermer, CD Digel, SW Silva, EDE Drell, PS Drlica-Wagner, A Dubois, R Favuzzi, C Fegan, SJ Ferrara, EC Fortin, P Fukazawa, Y Fusco, P Gargano, F Germani, S Giglietto, N Giordano, F Giroletti, M Glanzman, T Godfrey, G Grillo, L Grove, JE Gruber, D Guiriec, S Hadasch, D Hayashida, M Hays, E Horan, D Iafrate, G Johannesson, G Johnson, AS Johnson, WN Kamae, T Kippen, RM Knodlseder, J Kuss, M Lande, J Latronico, L Longo, F Loparco, F Lott, B Lovellette, MN Lubrano, P Mazziotta, MN McEnery, JE Meegan, C Mehault, J Michelson, PF Mitthumsiri, W Monte, C Monzani, ME Morselli, A Moskalenko, IV Murgia, S Murphy, R Naumann-Godo, M Nuss, E Nymark, T Ohno, M Ohsugi, T Okumura, A Omodei, N Orlando, E Paciesas, WS Panetta, JH Parent, D Pesce-Rollins, M Petrosian, V Pierbattista, M Piron, F Pivato, G Poon, H Porter, TA Preece, R Raino, S Rando, R Razzano, M Razzaque, S Reimer, A Reimer, O Ritz, S Sbarra, C Schwartz, RA Sgro, C Share, GH Siskind, EJ Spinelli, P Takahashi, H Tanaka, T Tanaka, Y Thayer, JB Tibaldo, L Tinivella, M Tolbert, AK Tosti, G Troja, E Uchiyama, Y Usher, TL Vandenbroucke, J Vasileiou, V Vianello, G Vitale, V von Kienlin, A Waite, AP Wilson-Hodge, C Wood, DL Wood, KS Yang, Z AF Ackermann, M. Ajello, M. Allafort, A. Atwood, W. B. Baldini, L. Barbiellini, G. Bastieri, D. Bechtol, K. Bellazzini, R. Bhat, P. N. Blandford, R. D. Bonamente, E. Borgland, A. W. Bregeon, J. Briggs, M. S. Brigida, M. Bruel, P. Buehler, R. Burgess, J. M. Buson, S. Caliandro, G. A. Cameron, R. A. Casandjian, J. M. Cecchi, C. Charles, E. Chekhtman, A. Chiang, J. Ciprini, S. Claus, R. Cohen-Tanugi, J. Connaughton, V. Conrad, J. Cutini, S. Dennis, B. R. de Palma, F. Dermer, C. D. Digel, S. W. do Couto e Silva, E. Drell, P. S. Drlica-Wagner, A. Dubois, R. Favuzzi, C. Fegan, S. J. Ferrara, E. C. Fortin, P. Fukazawa, Y. Fusco, P. Gargano, F. Germani, S. Giglietto, N. Giordano, F. Giroletti, M. Glanzman, T. Godfrey, G. Grillo, L. Grove, J. E. Gruber, D. Guiriec, S. Hadasch, D. Hayashida, M. Hays, E. Horan, D. Iafrate, G. Johannesson, G. Johnson, A. S. Johnson, W. N. Kamae, T. Kippen, R. M. Knoedlseder, J. Kuss, M. Lande, J. Latronico, L. Longo, F. Loparco, F. Lott, B. Lovellette, M. N. Lubrano, P. Mazziotta, M. N. McEnery, J. E. Meegan, C. Mehault, J. Michelson, P. F. Mitthumsiri, W. Monte, C. Monzani, M. E. Morselli, A. Moskalenko, I. V. Murgia, S. Murphy, R. Naumann-Godo, M. Nuss, E. Nymark, T. Ohno, M. Ohsugi, T. Okumura, A. Omodei, N. Orlando, E. Paciesas, W. S. Panetta, J. H. Parent, D. Pesce-Rollins, M. Petrosian, V. Pierbattista, M. Piron, F. Pivato, G. Poon, H. Porter, T. A. Preece, R. Raino, S. Rando, R. Razzano, M. Razzaque, S. Reimer, A. Reimer, O. Ritz, S. Sbarra, C. Schwartz, R. A. Sgro, C. Share, G. H. Siskind, E. J. Spinelli, P. Takahashi, H. Tanaka, T. Tanaka, Y. Thayer, J. B. Tibaldo, L. Tinivella, M. Tolbert, A. K. Tosti, G. Troja, E. Uchiyama, Y. Usher, T. L. Vandenbroucke, J. Vasileiou, V. Vianello, G. Vitale, V. von Kienlin, A. Waite, A. P. Wilson-Hodge, C. Wood, D. L. Wood, K. S. Yang, Z. TI FERMI DETECTION OF gamma-RAY EMISSION FROM THE M2 SOFT X-RAY FLARE ON 2010 JUNE 12f SO ASTROPHYSICAL JOURNAL LA English DT Article DE acceleration of particles; Sun: flares; Sun: particle emission; Sun: X-rays, gamma rays ID ACCELERATED-PARTICLE INTERACTIONS; LARGE-AREA TELESCOPE; HIGH-ENERGY-NEUTRON; SOLAR-FLARES; BURST MONITOR; ELECTRONS; SPECTROSCOPY; CALIBRATION; ABUNDANCES; COMPTON AB The Geostationary Operational Environmental Satellite (GOES) M2-class solar flare, SOL2010-06-12T00: 57, was modest in many respects yet exhibited remarkable acceleration of energetic particles. The flare produced an similar to 50 s impulsive burst of hard X-and gamma-ray emission up to at least 400 MeV observed by the Fermi Gamma-ray Burst Monitor and Large Area Telescope experiments. The remarkably similar hard X-ray and high-energy gamma-ray time profiles suggest that most of the particles were accelerated to energies greater than or similar to 300 MeV with a delay of similar to 10 s from mildly relativistic electrons, but some reached these energies in as little as similar to 3 s. The gamma-ray line fluence from this flare was about 10 times higher than that typically observed from this modest GOES class of X-ray flare. There is no evidence for time-extended >100 MeV emission as has been found for other flares with high-energy gamma-rays. C1 [Ackermann, M.] Deutsch Elektronen Synchrotron DESY, D-15738 Zeuthen, Germany. [Ajello, M.; Allafort, A.; Bechtol, K.; Blandford, R. D.; Borgland, A. W.; Buehler, R.; Cameron, R. A.; Charles, E.; Chiang, J.; Claus, R.; Digel, S. W.; do Couto e Silva, E.; Drell, P. S.; Drlica-Wagner, A.; Dubois, R.; Glanzman, T.; Godfrey, G.; Grillo, L.; Hayashida, M.; Johnson, A. S.; Kamae, T.; Lande, J.; Michelson, P. F.; Mitthumsiri, W.; Monzani, M. E.; Moskalenko, I. V.; Murgia, S.; Okumura, A.; Omodei, N.; Orlando, E.; Panetta, J. H.; Petrosian, V.; Porter, T. A.; Reimer, A.; Reimer, O.; Tanaka, T.; Thayer, J. B.; Uchiyama, Y.; Usher, T. L.; Vandenbroucke, J.; Vianello, G.; Waite, A. P.] Stanford Univ, Dept Phys, WW Hansen Expt Phys Lab, Kavli Inst Particle Astrophys & Cosmol, Stanford, CA 94305 USA. [Ajello, M.; Allafort, A.; Bechtol, K.; Blandford, R. D.; Borgland, A. W.; Buehler, R.; Cameron, R. A.; Charles, E.; Chiang, J.; Claus, R.; Digel, S. W.; do Couto e Silva, E.; Drell, P. S.; Drlica-Wagner, A.; Dubois, R.; Glanzman, T.; Godfrey, G.; Grillo, L.; Hayashida, M.; Johnson, A. S.; Kamae, T.; Lande, J.; Michelson, P. F.; Mitthumsiri, W.; Monzani, M. E.; Moskalenko, I. V.; Murgia, S.; Okumura, A.; Omodei, N.; Orlando, E.; Panetta, J. H.; Petrosian, V.; Porter, T. A.; Reimer, A.; Reimer, O.; Tanaka, T.; Thayer, J. B.; Uchiyama, Y.; Usher, T. L.; Vandenbroucke, J.; Vianello, G.; Waite, A. P.] Stanford Univ, SLAC Natl Accelerator Lab, Stanford, CA 94305 USA. [Atwood, W. B.; Razzano, M.; Ritz, S.] Univ Calif Santa Cruz, Dept Phys, Santa Cruz Inst Particle Phys, Santa Cruz, CA 95064 USA. [Atwood, W. B.; Razzano, M.; Ritz, S.] Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. [Baldini, L.; Bellazzini, R.; Bregeon, J.; Kuss, M.; Pesce-Rollins, M.; Razzano, M.; Sgro, C.; Tinivella, M.] Ist Nazl Fis Nucl, Sez Pisa, I-56127 Pisa, Italy. [Barbiellini, G.; Iafrate, G.; Longo, F.] Ist Nazl Fis Nucl, Sez Trieste, I-34127 Trieste, Italy. [Barbiellini, G.; Longo, F.] Univ Trieste, Dipartimento Fis, I-34127 Trieste, Italy. [Bastieri, D.; Buson, S.; Rando, R.; Sbarra, C.; Tibaldo, L.] Ist Nazl Fis Nucl, Sez Padova, I-35131 Padua, Italy. [Bastieri, D.; Buson, S.; Pivato, G.; Poon, H.; Rando, R.; Tibaldo, L.] Univ Padua, Dipartimento Fis G Galilei, I-35131 Padua, Italy. [Bhat, P. N.; Briggs, M. S.; Burgess, J. M.; Connaughton, V.; Guiriec, S.; Paciesas, W. S.; Preece, R.] Univ Alabama, CSPAR, Huntsville, AL 35899 USA. [Bonamente, E.; Cecchi, C.; Germani, S.; Lubrano, P.; Tosti, G.] Ist Nazl Fis Nucl, Sez Perugia, I-06123 Perugia, Italy. [Bonamente, E.; Cecchi, C.; Ciprini, S.; Germani, S.; Lubrano, P.; Tosti, G.] Univ Perugia, Dipartimento Fis, I-06123 Perugia, Italy. [Brigida, M.; de Palma, F.; Favuzzi, C.; Fusco, P.; Giglietto, N.; Giordano, F.; Loparco, F.; Monte, C.; Raino, S.; Spinelli, P.] Univ Bari, Dipartimento Fis M Merlin, I-70126 Bari, Italy. [Brigida, M.; de Palma, F.; Favuzzi, C.; Fusco, P.; Giglietto, N.; Giordano, F.; Loparco, F.; Monte, C.; Raino, S.; Spinelli, P.] Politecn Bari, I-70126 Bari, Italy. [Brigida, M.; de Palma, F.; Favuzzi, C.; Fusco, P.; Gargano, F.; Giglietto, N.; Giordano, F.; Loparco, F.; Mazziotta, M. N.; Monte, C.; Raino, S.; Spinelli, P.] Ist Nazl Fis Nucl, Sez Bari, I-70126 Bari, Italy. [Bruel, P.; Fegan, S. J.; Fortin, P.; Horan, D.] Ecole Polytech, CNRS, IN2P3, Lab Leprince Ringuet, F-91128 Palaiseau, France. [Caliandro, G. A.; Hadasch, D.] Inst Ciencies Espai IEEE CSIC, Barcelona 08193, Spain. [Casandjian, J. M.; Naumann-Godo, M.; Pierbattista, M.] Univ Paris Diderot, La AIM, CEA IRFU, CNRS,Serv Astrophys,CEA Saclay, F-91191 Gif Sur Yvette, France. [Chekhtman, A.] Artep Inc, Ellicott City, MD 21042 USA. [Cutini, S.] ASI, Sci Data Ctr, I-00044 Rome, Italy. [Cohen-Tanugi, J.; Mehault, J.; Nuss, E.; Piron, F.; Vasileiou, V.] Univ Montpellier 2, Lab Univers & Particules Montpellier, CNRS, IN2P3, Montpellier, France. [Conrad, J.; Yang, Z.] Stockholm Univ, Dept Phys, SE-10691 Stockholm, Sweden. [Conrad, J.; Nymark, T.; Yang, Z.] Oskar Klein Ctr Cosmoparticle Phys, SE-10691 Stockholm, Sweden. [Dennis, B. R.; Ferrara, E. C.; Hays, E.; McEnery, J. E.; Schwartz, R. A.; Tolbert, A. K.; Troja, E.] NASA, Goddard Space Flight Ctr, Greenbelt, MD 20771 USA. [Dermer, C. D.; Grove, J. E.; Johnson, W. N.; Lovellette, M. N.; Murphy, R.; Wood, K. S.] USN, Div Space Sci, Res Lab, Washington, DC 20375 USA. [Fukazawa, Y.] Hiroshima Univ, Dept Phys Sci, Hiroshima 7398526, Japan. [Giroletti, M.] INAF Ist Radioastron, I-40129 Bologna, Italy. [Gruber, D.; Orlando, E.; von Kienlin, A.] Max Planck Inst Extraterr Phys, D-85748 Garching, Germany. [Hayashida, M.] Kyoto Univ, Grad Sch Sci, Dept Astron, Sakyo Ku, Kyoto 6068502, Japan. [Iafrate, G.] Ist Nazl Astrofis, Osservatorio Astron Trieste, I-34143 Trieste, Italy. [Johannesson, G.] Univ Iceland, Inst Sci, IS-107 Reykjavik, Iceland. [Kippen, R. M.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Knoedlseder, J.] IRAP, CNRS, F-31028 Toulouse 4, France. [Knoedlseder, J.] Univ Toulouse, GAHEC, UPS OMP, IRAP, Toulouse, France. [Latronico, L.] Ist Nazl Fis Nucl, Sez Torino, I-10125 Turin, Italy. [Lott, B.] Univ Bordeaux 1, CNRS, IN2P3, CEN Bordeaux Gradignan, F-33175 Gradignan, France. [McEnery, J. E.] Univ Maryland, Dept Phys, College Pk, MD 20742 USA. [McEnery, J. E.; Share, G. H.] Univ Maryland, Dept Astron, College Pk, MD 20742 USA. [Meegan, C.] Univ Space Res Assoc, Columbia, MD 21044 USA. [Morselli, A.; Vitale, V.] Ist Nazl Fis Nucl, Sez Roma Tor Vergata, I-00133 Rome, Italy. [Nymark, T.] Royal Inst Technol KTH, Dept Phys, SE-10691 Stockholm, Sweden. [Ohno, M.; Okumura, A.; Tanaka, Y.] JAXA, Inst Space & Astronaut Sci, Chuo Ku, Sagamihara, Kanagawa 2525210, Japan. [Ohsugi, T.; Takahashi, H.] Hiroshima Univ, Hiroshima Astrophys Sci Ctr, Hiroshima 7398526, Japan. [Parent, D.; Razzaque, S.] George Mason Univ, Ctr Earth Observing & Space Res, Coll Sci, Fairfax, VA 22030 USA. [Reimer, A.; Reimer, O.] Leopold Franzens Univ Innsbruck, Inst Astro & Teilchenphys, A-6020 Innsbruck, Austria. [Reimer, A.; Reimer, O.] Leopold Franzens Univ Innsbruck, Inst Theoret Phys, A-6020 Innsbruck, Austria. [Siskind, E. J.] NYCB Real Time Comp Inc, Lattingtown, NY 11560 USA. [Vianello, G.] CIFS, I-10133 Turin, Italy. [Vitale, V.] Univ Roma Tor Vergata, Dipartimento Fis, I-00133 Rome, Italy. [Wilson-Hodge, C.] NASA, George C Marshall Space Flight Ctr, Huntsville, AL 35812 USA. [Wood, D. L.] Praxis Inc, Alexandria, VA 22303 USA. RP Ackermann, M (reprint author), Deutsch Elektronen Synchrotron DESY, D-15738 Zeuthen, Germany. EM michael.briggs@nasa.gov; dgruber@mpe.mpg.de; francesco.longo@trieste.infn.it; nicola.omodei@gmail.com; gerald.share@nrl.navy.mil RI Dennis, Brian/C-9511-2012; McEnery, Julie/D-6612-2012; Baldini, Luca/E-5396-2012; lubrano, pasquale/F-7269-2012; Kuss, Michael/H-8959-2012; giglietto, nicola/I-8951-2012; Morselli, Aldo/G-6769-2011; Reimer, Olaf/A-3117-2013; Tosti, Gino/E-9976-2013; Rando, Riccardo/M-7179-2013; Johnson, Neil/G-3309-2014; Johannesson, Gudlaugur/O-8741-2015; Loparco, Francesco/O-8847-2015; Gargano, Fabio/O-8934-2015; Moskalenko, Igor/A-1301-2007; Mazziotta, Mario /O-8867-2015; Sgro, Carmelo/K-3395-2016; Orlando, E/R-5594-2016 OI lubrano, pasquale/0000-0003-0221-4806; giglietto, nicola/0000-0002-9021-2888; Morselli, Aldo/0000-0002-7704-9553; Reimer, Olaf/0000-0001-6953-1385; Johannesson, Gudlaugur/0000-0003-1458-7036; Loparco, Francesco/0000-0002-1173-5673; Gargano, Fabio/0000-0002-5055-6395; Moskalenko, Igor/0000-0001-6141-458X; Mazziotta, Mario /0000-0001-9325-4672; FU K. A. Wallenberg Foundation; Fermi GI program FX Royal Swedish Academy of Sciences Research Fellow, funded by a grant from the K. A. Wallenberg Foundation.; We thank the referee for suggesting a more detailed examination of the delay between the hard X-ray bremsstrahlung and >30 MeV emission observed by LAT. The Fermi LAT Collaboration acknowledges generous ongoing support from a number of agencies and institutes that have supported both the development and the operation of the LAT as well as scientific data analysis. These include the National Aeronautics and Space Administration and the Department of Energy in the United States, the Commissariat a l'Energie Atomique and the Centre National de la Recherche Scientifique/Institut National de Physique Nucleaire et de Physique des Particules in France, the Agenzia Spaziale Italiana and the Istituto Nazionale di Fisica Nucleare in Italy, the Ministry of Education, Culture, Sports, Science and Technology (MEXT), High Energy Accelerator Research Organization (KEK) and Japan Aerospace Exploration Agency (JAXA) in Japan, and the K. A. Wallenberg Foundation, the Swedish Research Council and the Swedish National Space Board in Sweden.; Co-authors Briggs, Murphy, Schwartz, Share, and Tolbert were partially funded by the Fermi GI program to conduct the joint spectroscopic studies presented in this paper. NR 45 TC 27 Z9 27 U1 0 U2 7 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD FEB 1 PY 2012 VL 745 IS 2 AR 144 DI 10.1088/0004-637X/745/2/144 PG 11 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 893AI UT WOS:000300326800042 ER PT J AU Beiersdorfer, P Diaz, F Ishikawa, Y AF Beiersdorfer, P. Diaz, F. Ishikawa, Y. TI THEORETICAL WAVELENGTHS OF Fe XVI L-SHELL TRANSITIONS AND COMPARISON WITH LABORATORY MEASUREMENTS AND CHANDRA OBSERVATIONS OF CAPELLA SO ASTROPHYSICAL JOURNAL LA English DT Article DE atomic processes; line: formation; stars: coronae; stars: individual (Capella); Sun: X-rays, gamma rays; X-rays: general ID X-RAY-SPECTRUM; PERTURBATION-THEORY APPROACH; IONS; ASTROPHYSICS; ANGSTROM; IRON AB We have used the relativistic multi-reference Moller-Plesset perturbation theory to calculate the energy levels of Fe XVI, including those of the autoionizing levels with a hole state in the L shell. Comparison of the resulting L-shell transition wavelengths with those from recent laboratory measurements shows remarkable agreement, i.e., agreement within the experimental uncertainties. Our calculation allows us to predict the wavelength of the second strongest 2p-3d Fe XVI line, which has not yet been directly observed in the laboratory, to be 15.266 angstrom. This wavelength is within 0.0042 angstrom of the strong Fe XVII line commonly labeled 3D. Relying on the high accuracy of our calculations, we have reassigned two previously identified lines and predict a different location than previously thought for the strongest Fe XVI magnetic quadrupole transition. Inspection of the spectra of Capella recorded with the transmission grating spectrometers on the Chandra X-ray Observatory yields features corresponding to the predicted location of the innershell excited Fe XVI lines. These features have not been identified before. Our analysis shows that these features are most likely from Fe XVI. C1 [Beiersdorfer, P.] Lawrence Livermore Natl Lab, Div Phys, Livermore, CA 94550 USA. [Diaz, F.; Ishikawa, Y.] Univ Puerto Rico, Dept Chem, San Juan, PR 00931 USA. [Diaz, F.; Ishikawa, Y.] Univ Puerto Rico, Chem Phys Program, San Juan, PR 00931 USA. RP Beiersdorfer, P (reprint author), Lawrence Livermore Natl Lab, Div Phys, Livermore, CA 94550 USA. FU Department of Energy [DE-AC52-07NA-27344]; NASA [NNG07WF05I]; Chandra Research Award [AR1-12006X] FX Work by the Lawrence Livermore National Laboratory was performed under the auspices of the Department of Energy under Contract No. DE-AC52-07NA-27344. This work was supported by NASA Astronomy and Physics Research and Analysis contract NNG07WF05I and Chandra Research Award AR1-12006X. We are very grateful to Dr. Ming Feng Gu for providing us with copies of the summed and fitted Capella spectra and thank Mr. Maximilian Bode for preparing part of the figures and tables. NR 26 TC 11 Z9 11 U1 0 U2 3 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD FEB 1 PY 2012 VL 745 IS 2 AR 167 DI 10.1088/0004-637X/745/2/167 PG 5 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 893AI UT WOS:000300326800065 ER PT J AU Borucki, WJ Koch, DG Batalha, N Bryson, ST Rowe, J Fressin, F Torres, G Caldwell, DA Christensen-Dalsgaard, J Cochran, WD DeVore, E Gautier, TN Geary, JC Gilliland, R Gould, A Howell, SB Jenkins, JM Latham, DW Lissauer, JJ Marcy, GW Sasselov, D Boss, A Charbonneau, D Ciardi, D Kaltenegger, L Doyle, L Dupree, AK Ford, EB Fortney, J Holman, MJ Steffen, JH Mullally, F Still, M Tarter, J Ballard, S Buchhave, LA Carter, J Christiansen, JL Demory, BO Desert, JM Dressing, C Endl, M Fabrycky, D Fischer, D Haas, MR Henze, C Horch, E Howard, AW Isaacson, H Kjeldsen, H Johnson, JA Klaus, T Kolodziejczak, J Barclay, T Li, J Meibom, S Prsa, A Quinn, SN Quintana, EV Robertson, P Sherry, W Shporer, A Tenenbaum, P Thompson, SE Twicken, JD Van Cleve, J Welsh, WF Basu, S Chaplin, W Miglio, A Kawaler, SD Arentoft, T Stello, D Metcalfe, TS Verner, GA Karoff, C Lundkvist, M Lund, MN Handberg, R Elsworth, Y Hekker, S Huber, D Bedding, TR Rapin, W AF Borucki, William J. Koch, David G. Batalha, Natalie Bryson, Stephen T. Rowe, Jason Fressin, Francois Torres, Guillermo Caldwell, Douglas A. Christensen-Dalsgaard, Jorgen Cochran, William D. DeVore, Edna Gautier, Thomas N., III Geary, John C. Gilliland, Ronald Gould, Alan Howell, Steve B. Jenkins, Jon M. Latham, David W. Lissauer, Jack J. Marcy, Geoffrey W. Sasselov, Dimitar Boss, Alan Charbonneau, David Ciardi, David Kaltenegger, Lisa Doyle, Laurance Dupree, Andrea K. Ford, Eric B. Fortney, Jonathan Holman, Matthew J. Steffen, Jason H. Mullally, Fergal Still, Martin Tarter, Jill Ballard, Sarah Buchhave, Lars A. Carter, Josh Christiansen, Jessie L. Demory, Brice-Olivier Desert, Jean-Michel Dressing, Courtney Endl, Michael Fabrycky, Daniel Fischer, Debra Haas, Michael R. Henze, Christopher Horch, Elliott Howard, Andrew W. Isaacson, Howard Kjeldsen, Hans Johnson, John Asher Klaus, Todd Kolodziejczak, Jeffery Barclay, Thomas Li, Jie Meibom, Soren Prsa, Andrej Quinn, Samuel N. Quintana, Elisa V. Robertson, Paul Sherry, William Shporer, Avi Tenenbaum, Peter Thompson, Susan E. Twicken, Joseph D. Van Cleve, Jeffrey Welsh, William F. Basu, Sarbani Chaplin, William Miglio, Andrea Kawaler, Steven D. Arentoft, Torben Stello, Dennis Metcalfe, Travis S. Verner, Graham A. Karoff, Christoffer Lundkvist, Mia Lund, Mikkel N. Handberg, Rasmus Elsworth, Yvonne Hekker, Saskia Huber, Daniel Bedding, Timothy R. Rapin, William TI Kepler-22b: A 2.4 EARTH-RADIUS PLANET IN THE HABITABLE ZONE OF A SUN-LIKE STAR SO ASTROPHYSICAL JOURNAL LA English DT Article DE planetary systems; stars: fundamental parameters; stars: individual (Kepler-22, KIC 10593626) ID MAIN-SEQUENCE STARS; TRANSIT TIMING VARIATIONS; INITIAL CHARACTERISTICS; TERRESTRIAL PLANETS; ASTEROSEISMIC DATA; FALSE POSITIVES; SPACE-TELESCOPE; BLEND SCENARIOS; MULTIPLE SYSTEM; CADENCE DATA AB A search of the time-series photometry from NASA's Kepler spacecraft reveals a transiting planet candidate orbiting the 11th magnitude G5 dwarf KIC 10593626 with a period of 290 days. The characteristics of the host star are well constrained by high-resolution spectroscopy combined with an asteroseismic analysis of the Kepler photometry, leading to an estimated mass and radius of 0.970 +/- 0.060 M-circle dot and 0.979 +/- 0.020 R-circle dot. The depth of 492 +/- 10 ppm for the three observed transits yields a radius of 2.38 +/- 0.13 Re for the planet. The system passes a battery of tests for false positives, including reconnaissance spectroscopy, high-resolution imaging, and centroid motion. A full BLENDER analysis provides further validation of the planet interpretation by showing that contamination of the target by an eclipsing system would rarely mimic the observed shape of the transits. The final validation of the planet is provided by 16 radial velocities (RVs) obtained with the High Resolution Echelle Spectrometer on Keck I over a one-year span. Although the velocities do not lead to a reliable orbit and mass determination, they are able to constrain the mass to a 3 sigma upper limit of 124 M-circle plus, safely in the regime of planetary masses, thus earning the designation Kepler-22b. The radiative equilibrium temperature is 262 K for a planet in Kepler-22b's orbit. Although there is no evidence that Kepler-22b is a rocky planet, it is the first confirmed planet with a measured radius to orbit in the habitable zone of any star other than the Sun. C1 [Borucki, William J.; Klaus, Todd] NASA, Ames Res Ctr, Orbital Sci Corp, Moffett Field, CA 94035 USA. [Batalha, Natalie] San Jose State Univ, Dept Phys & Astron, San Jose, CA 95192 USA. [Rowe, Jason; Caldwell, Douglas A.; DeVore, Edna; Jenkins, Jon M.; Doyle, Laurance; Mullally, Fergal; Tarter, Jill; Christiansen, Jessie L.; Li, Jie; Quintana, Elisa V.; Tenenbaum, Peter; Thompson, Susan E.; Twicken, Joseph D.; Van Cleve, Jeffrey] SETI Inst, Mountain View, CA 94043 USA. [Fressin, Francois; Torres, Guillermo; Geary, John C.; Latham, David W.; Sasselov, Dimitar; Charbonneau, David; Dupree, Andrea K.; Holman, Matthew J.; Ballard, Sarah; Desert, Jean-Michel; Dressing, Courtney; Meibom, Soren; Quinn, Samuel N.] Harvard Smithsonian Ctr Astrophys, Cambridge, MA 02138 USA. [Christensen-Dalsgaard, Jorgen; Kjeldsen, Hans; Arentoft, Torben; Karoff, Christoffer; Lundkvist, Mia; Lund, Mikkel N.; Handberg, Rasmus] Aarhus Univ, Dept Phys & Astron, DK-8000 Aarhus C, Denmark. [Christensen-Dalsgaard, Jorgen] Natl Ctr Atmospher Res, High Altitude Observ, Boulder, CO 80307 USA. [Cochran, William D.; Endl, Michael; Robertson, Paul] Univ Texas Austin, McDonald Observ, Austin, TX 78712 USA. [Gautier, Thomas N., III; Johnson, John Asher] CALTECH, Jet Prop Lab, Pasadena, CA 91109 USA. [Gilliland, Ronald] Space Telescope Sci Inst, Baltimore, MD 21218 USA. [Marcy, Geoffrey W.; Howard, Andrew W.; Isaacson, Howard] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Boss, Alan] Carnegie Inst Sci, Dept Terr Magnetism, Washington, DC 20015 USA. [Ciardi, David] CALTECH, Exoplanet Sci Inst, Pasadena, CA 91125 USA. [Kaltenegger, Lisa] Max Planck Inst Astron, D-69117 Heidelberg, Germany. [Ford, Eric B.] Univ Florida, Dept Astron, Gainesville, FL 32611 USA. [Fortney, Jonathan; Fabrycky, Daniel] Univ Calif Santa Cruz, Dept Astron & Astrophys, Santa Cruz, CA 95064 USA. [Steffen, Jason H.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. [Still, Martin; Barclay, Thomas] Bay Area Environm Res Inst, Moffett Field, CA 94035 USA. [Buchhave, Lars A.] Univ Copenhagen, Niels Bohr Inst, DK-2100 Copenhagen, Denmark. [Buchhave, Lars A.] Univ Copenhagen, Ctr Star & Planet Format, Nat Hist Museum Denmark, DK-1350 Copenhagen, Denmark. [Carter, Josh; Demory, Brice-Olivier] MIT, Cambridge, MA 02139 USA. [Fischer, Debra; Basu, Sarbani] Yale Univ, Dept Astron, New Haven, CT 06520 USA. [Welsh, William F.] San Diego State Univ, Dept Astron, San Diego, CA 92182 USA. [Horch, Elliott] So Connecticut State Univ, Dept Phys, New Haven, CT 06515 USA. [Kolodziejczak, Jeffery] MSFC, Huntsville, AL 35805 USA. [Prsa, Andrej] Villanova Univ, Dept Astron & Astrophys, Villanova, PA 19085 USA. [Sherry, William] Natl Opt Astron Observ, Tucson, AZ 85719 USA. [Shporer, Avi] Las Cumbres Observ, Goleta, CA 93117 USA. [Chaplin, William; Miglio, Andrea; Verner, Graham A.; Elsworth, Yvonne; Hekker, Saskia] Univ Birmingham, Sch Phys & Astron, Birmingham B15 2TT, W Midlands, England. [Kawaler, Steven D.] Iowa State Univ, Dept Phys & Astron, Ames, IA 50014 USA. [Stello, Dennis; Huber, Daniel; Bedding, Timothy R.] Univ Sydney, Sydney Inst Astron, Sch Phys, Sydney, NSW 2006, Australia. [Metcalfe, Travis S.] White Dwarf Res Corp, Boulder, CO 80301 USA. [Hekker, Saskia] Univ Amsterdam, Astron Inst Anton Pannekoek, NL-1098 XH Amsterdam, Netherlands. [Rapin, William] Ctr Spatial Toulouse, Ctr Natl Etud Spatiales, F-31401 Toulouse, France. RP Borucki, WJ (reprint author), NASA, Ames Res Ctr, Orbital Sci Corp, Moffett Field, CA 94035 USA. EM William.J.Borucki@nasa.gov RI Caldwell, Douglas/L-7911-2014; Howard, Andrew/D-4148-2015; OI Lundkvist, Mia Sloth/0000-0002-8661-2571; Fischer, Debra/0000-0003-2221-0861; Handberg, Rasmus/0000-0001-8725-4502; Kawaler, Steven/0000-0002-6536-6367; Fabrycky, Daniel/0000-0003-3750-0183; Basu, Sarbani/0000-0002-6163-3472; Buchhave, Lars A./0000-0003-1605-5666; Caldwell, Douglas/0000-0003-1963-9616; /0000-0001-6545-639X; Howard, Andrew/0000-0001-8638-0320; Lund, Mikkel Norup/0000-0001-9214-5642; Fortney, Jonathan/0000-0002-9843-4354; Bedding, Timothy/0000-0001-5943-1460; Metcalfe, Travis/0000-0003-4034-0416; Ciardi, David/0000-0002-5741-3047; Karoff, Christoffer/0000-0003-2009-7965; Bedding, Tim/0000-0001-5222-4661; Demory, Brice-Olivier/0000-0002-9355-5165 FU NASA's Science Mission Directorate; W. M. Keck Foundation; NASA; NASA through JPL/Caltech; National Center for Atmospheric Research; National Science Foundation; Netherlands Organisation for Scientific Research (NWO) FX Kepler was competitively selected as the tenth Discovery mission. Funding for this mission is provided by NASA's Science Mission Directorate. Some of the data presented herein were obtained at the W. M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California, and the National Aeronautics and Space Administration. The Keck Observatory was made possible by the generous financial support of the W. M. Keck Foundation. Some of the observations were made with the Spitzer Space Telescope, which is operated by the Jet Propulsion Laboratory, California Institute of Technology under a contract with NASA. Support for this work was provided by NASA through an award issued by JPL/Caltech. Additional support for this work was also received from National Center for Atmospheric Research which is sponsored by the National Science Foundation. The authors thank the many people who gave so generously of their time to make this Mission a success. S. H. acknowledges financial support from the Netherlands Organisation for Scientific Research (NWO). NR 83 TC 139 Z9 139 U1 5 U2 60 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD FEB 1 PY 2012 VL 745 IS 2 AR 120 DI 10.1088/0004-637X/745/2/120 PG 16 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 893AI UT WOS:000300326800018 ER PT J AU Gando, A Gando, Y Ichimura, K Ikeda, H Inoue, K Kibe, Y Kishimoto, Y Koga, M Minekawa, Y Mitsui, T Morikawa, T Nagai, N Nakajima, K Nakamura, K Narita, K Shimizu, I Shimizu, Y Shirai, J Suekane, F Suzuki, A Takahashi, H Takahashi, N Takemoto, Y Tamae, K Watanabe, H Xu, BD Yabumoto, H Yoshida, H Yoshida, S Enomoto, S Kozlov, A Murayama, H Grant, C Keefer, G Piepke, A Banks, TI Bloxham, T Detwiler, JA Freedman, SJ Fujikawa, BK Han, K Kadel, R O'Donnell, T Steiner, HM Dwyer, DA McKeown, RD Zhang, C Berger, BE Lane, CE Maricic, J Miletic, T Batygov, M Learned, JG Matsuno, S Sakai, M Horton-Smith, GA Downum, KE Gratta, G Efremenko, Y Kamyshkov, Y Perevozchikov, O Karwowski, HJ Markoff, DM Tornow, W Heeger, KM Decowski, MP AF Gando, A. Gando, Y. Ichimura, K. Ikeda, H. Inoue, K. Kibe, Y. Kishimoto, Y. Koga, M. Minekawa, Y. Mitsui, T. Morikawa, T. Nagai, N. Nakajima, K. Nakamura, K. Narita, K. Shimizu, I. Shimizu, Y. Shirai, J. Suekane, F. Suzuki, A. Takahashi, H. Takahashi, N. Takemoto, Y. Tamae, K. Watanabe, H. Xu, B. D. Yabumoto, H. Yoshida, H. Yoshida, S. Enomoto, S. Kozlov, A. Murayama, H. Grant, C. Keefer, G. Piepke, A. Banks, T. I. Bloxham, T. Detwiler, J. A. Freedman, S. J. Fujikawa, B. K. Han, K. Kadel, R. O'Donnell, T. Steiner, H. M. Dwyer, D. A. McKeown, R. D. Zhang, C. Berger, B. E. Lane, C. E. Maricic, J. Miletic, T. Batygov, M. Learned, J. G. Matsuno, S. Sakai, M. Horton-Smith, G. A. Downum, K. E. Gratta, G. Efremenko, Y. Kamyshkov, Y. Perevozchikov, O. Karwowski, H. J. Markoff, D. M. Tornow, W. Heeger, K. M. Decowski, M. P. TI SEARCH FOR EXTRATERRESTRIAL ANTINEUTRINO SOURCES WITH THE KamLAND DETECTOR SO ASTROPHYSICAL JOURNAL LA English DT Article DE dark matter; ISM: supernova remnants; neutrinos; Sun: particle emission ID NEUTRON FISSION-PRODUCTS; SOLAR; MODELS; SUPERNOVAE; SCATTERING; NEUTRINOS; SPECTRUM AB We present the results of a search for extraterrestrial electron antineutrinos ((nu) over bar (e)'s) in the energy range 8.3 MeV E-<(nu) over bare < 31.8 MeV using the KamLAND detector. In an exposure of 4.53 kton-year, we identify 25 candidate events. All of the candidate events can be attributed to background, most importantly neutral current atmospheric neutrino interactions, setting an upper limit on the probability of B-8 solar nu(e)'s converting into nu(e)'s at 5.3 x 10(-5) (90% CL), if we assume an undistorted nu(e) shape. This limit corresponds to a solar nu(e) flux of 93 cm(-2) s(-1) or an event rate of 1.6 events (kton-year)(-1) above the energy threshold (E-<(nu)over bar>e >= 8.3 MeV). The present data also allows us to set more stringent limits on the diffuse supernova neutrino flux and on the annihilation rates for light dark matter particles. C1 [Gando, A.; Gando, Y.; Ichimura, K.; Ikeda, H.; Inoue, K.; Kibe, Y.; Kishimoto, Y.; Koga, M.; Minekawa, Y.; Mitsui, T.; Morikawa, T.; Nagai, N.; Nakajima, K.; Nakamura, K.; Narita, K.; Shimizu, I.; Shimizu, Y.; Shirai, J.; Suekane, F.; Suzuki, A.; Takahashi, H.; Takahashi, N.; Takemoto, Y.; Tamae, K.; Watanabe, H.; Xu, B. D.; Yabumoto, H.; Yoshida, H.; Yoshida, S.] Tohoku Univ, Res Ctr Neutrino Sci, Sendai, Miyagi 9808578, Japan. [Inoue, K.; Koga, M.; Nakamura, K.; Enomoto, S.; Kozlov, A.; Murayama, H.; Piepke, A.; Freedman, S. J.; Fujikawa, B. K.; Horton-Smith, G. A.; Efremenko, Y.; Heeger, K. M.; Decowski, M. P.] Univ Tokyo, Inst Phys & Math Universe, Kashiwa, Chiba 2778568, Japan. [Grant, C.; Keefer, G.; Piepke, A.] Univ Alabama, Dept Phys & Astron, Tuscaloosa, AL 35487 USA. [Murayama, H.; Banks, T. I.; Bloxham, T.; Detwiler, J. A.; Freedman, S. J.; Fujikawa, B. K.; Han, K.; Kadel, R.; O'Donnell, T.; Steiner, H. M.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Murayama, H.; Banks, T. I.; Bloxham, T.; Detwiler, J. A.; Freedman, S. J.; Fujikawa, B. K.; Han, K.; Kadel, R.; O'Donnell, T.; Steiner, H. M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Dwyer, D. A.; McKeown, R. D.; Zhang, C.] CALTECH, WK Kellogg Radiat Lab, Pasadena, CA 91125 USA. [Berger, B. E.] Colorado State Univ, Dept Phys, Ft Collins, CO 80523 USA. [Lane, C. E.; Maricic, J.; Miletic, T.] Drexel Univ, Dept Phys, Philadelphia, PA 19104 USA. [Batygov, M.; Learned, J. G.; Matsuno, S.; Sakai, M.] Univ Hawaii Manoa, Dept Phys & Astron, Honolulu, HI 96822 USA. [Horton-Smith, G. A.] Kansas State Univ, Dept Phys, Manhattan, KS 66506 USA. [Downum, K. E.; Gratta, G.] Stanford Univ, Dept Phys, Stanford, CA 94305 USA. [Efremenko, Y.; Kamyshkov, Y.; Perevozchikov, O.] Univ Tennessee, Dept Phys & Astron, Knoxville, TN 37996 USA. [Karwowski, H. J.; Markoff, D. M.; Tornow, W.] Triangle Univ Nucl Lab, Durham, NC 27708 USA. [Karwowski, H. J.; Markoff, D. M.; Tornow, W.] Duke Univ, Dept Phys, Durham, NC 27708 USA. [Karwowski, H. J.; Markoff, D. M.; Tornow, W.] N Carolina Cent Univ, Dept Phys, Durham, NC 27707 USA. [Karwowski, H. J.; Markoff, D. M.; Tornow, W.] Univ N Carolina, Dept Phys, Chapel Hill, NC 27599 USA. [Heeger, K. M.] Univ Wisconsin, Dept Phys, Madison, WI 53706 USA. [Decowski, M. P.] Nikhef, Amsterdam, Netherlands. [Enomoto, S.] Univ Washington, Ctr Expt Nucl Phys & Astrophys, Seattle, WA 98195 USA. RP Gando, A (reprint author), Tohoku Univ, Res Ctr Neutrino Sci, Sendai, Miyagi 9808578, Japan. RI Murayama, Hitoshi/A-4286-2011; Horton-Smith, Glenn/A-4409-2011; Kamyshkov, Yuri/J-7999-2016; Han, Ke/D-3697-2017 OI Horton-Smith, Glenn/0000-0001-9677-9167; Kamyshkov, Yuri/0000-0002-3789-7152; Han, Ke/0000-0002-1609-7367 FU Japanese Ministry of Education, Culture, Sports, Science and Technology [16002002]; World Premier International Research Center Initiative (WPI Initiative), MEXT, Japan; U.S. Department of Energy (DOE) [DE-FG03-00ER41138, DE-AC02-05CH11231, DE-FG02-01ER41166]; DOE FX The KamLAND experiment is supported by the Grant-in-Aid for Specially Promoted Research under grant no. 16002002 of the Japanese Ministry of Education, Culture, Sports, Science and Technology; the World Premier International Research Center Initiative (WPI Initiative), MEXT, Japan; and under the U.S. Department of Energy (DOE) grant nos. DE-FG03-00ER41138, DE-AC02-05CH11231, and DE-FG02-01ER41166, as well as other DOE grants to individual institutions. The reactor data are provided by courtesy of the following electric associations in Japan: Hokkaido, Tohoku, Tokyo, Hokuriku, Chubu, Kansai, Chugoku, Shikoku, and Kyushu Electric Power Companies, Japan Atomic Power Company, and Japan Atomic Energy Agency. The Kamioka Mining and Smelting Company has provided service for activities in the mine. NR 39 TC 17 Z9 17 U1 2 U2 9 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD FEB 1 PY 2012 VL 745 IS 2 AR 193 DI 10.1088/0004-637X/745/2/193 PG 8 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 893AI UT WOS:000300326800091 ER PT J AU Joyce, CJ Smith, CW Isenberg, PA Gary, SP Murphy, N Gray, PC Burlaga, LF AF Joyce, Colin J. Smith, Charles W. Isenberg, Philip A. Gary, S. Peter Murphy, Neil Gray, Perry C. Burlaga, Leonard F. TI OBSERVATION OF BERNSTEIN WAVES EXCITED BY NEWBORN INTERSTELLAR PICKUP IONS IN THE SOLAR WIND SO ASTROPHYSICAL JOURNAL LA English DT Article DE cosmic rays; magnetic fields; turbulence; waves ID PROTON-BEAM GENERATION; MAGNETIC-FIELD; COMETARY ENVIRONMENT; OUTER HELIOSHEATH; WHISTLER WAVES; ULF WAVES; INSTABILITIES; FLUCTUATIONS; EXCITATION; TURBULENCE AB A recent examination of 1.9 s magnetic field data recorded by the Voyager 2 spacecraft in transit to Jupiter revealed several instances of strongly aliased spectra suggestive of unresolved high-frequency magnetic fluctuations at 4.4 AU. A closer examination of these intervals using the highest resolution data available revealed one clear instance of wave activity at spacecraft frame frequencies from 0.2 to 1 Hz. Using various analysis techniques, we have characterized these fluctuations as Bernstein mode waves excited by newborn interstellar pickup ions. We can find no other interpretation or source consistent with the observations, but this interpretation is not without questions. In this paper, we report a detailed analysis of the waves, including their frequency and polarization, that supports our interpretation. C1 [Joyce, Colin J.; Smith, Charles W.; Isenberg, Philip A.] Univ New Hampshire, Dept Phys, Ctr Space Sci, Durham, NH 03824 USA. [Gary, S. Peter] Los Alamos Natl Lab, Los Alamos, NM USA. [Murphy, Neil] CALTECH, Jet Prop Lab, Pasadena, CA USA. [Burlaga, Leonard F.] NASA, Goddard Space Flight Ctr, Geospace Phys Lab, Greenbelt, MD 20771 USA. RP Joyce, CJ (reprint author), Univ New Hampshire, Dept Phys, Ctr Space Sci, Durham, NH 03824 USA. EM cjl46@unh.edu; Charles.Smith@unh.edu; Phil.Isenberg@unh.edu; pgary@lanl.gov; Neil.Murphy@jpl.nasa.gov; Perry.Gray@dtra.mil; lburlagahsp@verizon.net FU NASA [NNX07AH75G]; NSF [ATM0635863]; Caltech [44A1085631] FX This work was supported in part by NASA Guest Investigator grant NNX07AH75G and NSF grant ATM0635863. C. W. S. is supported by Caltech subcontract 44A1085631 to the University of New Hampshire in support of the ACE/MAG instrument. Part of the ACE mandate is to better understand the role of pickup ions in the heliosphere. Portions of this research were carried out at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration. C.J.J. was an undergraduate in the Physics program at UNH at the time this work was performed and is now a graduate student working within that same program. Perry Gray died unexpectedly just two weeks after this paper was first submitted to the journal. He was a bright and creative scientist who made lifelong friends everywhere he went. He will be greatly missed by friends and colleagues alike. NR 36 TC 10 Z9 10 U1 0 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD FEB 1 PY 2012 VL 745 IS 2 AR 112 DI 10.1088/0004-637X/745/2/112 PG 8 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 893AI UT WOS:000300326800010 ER PT J AU Li, PS Martin, DF Klein, RI McKee, CF AF Li, Pak Shing Martin, Daniel F. Klein, Richard I. McKee, Christopher F. TI A STABLE, ACCURATE METHODOLOGY FOR HIGH MACH NUMBER, STRONG MAGNETIC FIELD MHD TURBULENCE WITH ADAPTIVE MESH REFINEMENT: RESOLUTION AND REFINEMENT STUDIES SO ASTROPHYSICAL JOURNAL LA English DT Article DE ISM: kinematics and dynamics; ISM: magnetic fields; magnetic fields; magnetohydrodynamics (MHD); methods: numerical; stars: formation; turbulence ID SELF-GRAVITATIONAL HYDRODYNAMICS; CONSTRAINED TRANSPORT METHOD; ENERGY-DISSIPATION RATE; UNSPLIT GODUNOV METHOD; IDEAL MAGNETOHYDRODYNAMICS; MOLECULAR CLOUDS; EULER EQUATIONS; NUMERICAL SIMULATIONS; STAR-FORMATION; SCHEME AB Performing a stable, long-duration simulation of driven MHD turbulence with a high thermal Mach number and a strong initial magnetic field is a challenge to high-order Godunov ideal MHD schemes because of the difficulty in guaranteeing positivity of the density and pressure. We have implemented a robust combination of reconstruction schemes, Riemann solvers, limiters, and constrained transport electromotive force averaging schemes that can meet this challenge, and using this strategy, we have developed a new adaptive mesh refinement (AMR) MHD module of the ORION2 code. We investigate the effects of AMR on several statistical properties of a turbulent ideal MHD system with a thermal Mach number of 10 and a plasma beta(0) of 0.1 as initial conditions; our code is shown to be stable for simulations with higher Mach numbers (M-rms = 17.3) and smaller plasma beta (beta(0) = 0.0067) as well. Our results show that the quality of the turbulence simulation is generally related to the volume-averaged refinement. Our AMR simulations show that the turbulent dissipation coefficient for supersonic MHD turbulence is about 0.5, in agreement with unigrid simulations. C1 [Li, Pak Shing; Klein, Richard I.; McKee, Christopher F.] Univ Calif Berkeley, Dept Astron, Berkeley, CA 94720 USA. [Martin, Daniel F.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [Klein, Richard I.] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA. [McKee, Christopher F.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. RP Li, PS (reprint author), Univ Calif Berkeley, Dept Astron, 601 Campbell Hall, Berkeley, CA 94720 USA. EM psli@astron.berkeley.edu; DFMartin@lbl.gov; klein@astron.berkeley.edu; cmckee@astro.berkeley.edu FU NASA through NASA ATP [NNX09AK31G]; US Department of Energy at the Lawrence Livermore National Laboratory [DE-AC52-07NA 27344]; Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; NSF [AST-0908553]; LRAC from the NSF; NASA Advanced Computing (NAS) Division through NASA ATP FX We thank Brian Van Straalen for helping improve the scalability performance of the AMR Implementation of the MHD module of ORION2. We also thank Christoph Fedderath, Jim Stone, Alexei Kritsuk, and Tom Abel for helpful discussions and particularly an anonymous referee for helpful comments on the paper. Support for this research was provided by NASA through NASA ATP grant NNX09AK31G (R. I. K., C. F. M., and P. S. L.), the US Department of Energy at the Lawrence Livermore National Laboratory under contract DE-AC52-07NA 27344 (R. I. K.), the Lawrence Berkeley National Laboratory under contract DE-AC02-05CH11231 (D. F. M.), and the NSF through grant AST-0908553 (C. F. M. and R. I. K.). This research is also supported by an LRAC Teragrid grant of high performance computing from the NSF and the NASA Advanced Computing (NAS) Division through a NASA ATP grant. NR 58 TC 16 Z9 16 U1 0 U2 2 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD FEB 1 PY 2012 VL 745 IS 2 AR 139 DI 10.1088/0004-637X/745/2/139 PG 13 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 893AI UT WOS:000300326800037 ER PT J AU Raichoor, A Mei, S Stanford, SA Holden, BP Nakata, F Rosati, P Shankar, F Tanaka, M Ford, H Huertas-Company, M Illingworth, G Kodama, T Postman, M Rettura, A Blakeslee, JP Demarco, R Jee, MJ White, RL AF Raichoor, A. Mei, S. Stanford, S. A. Holden, B. P. Nakata, F. Rosati, P. Shankar, F. Tanaka, M. Ford, H. Huertas-Company, M. Illingworth, G. Kodama, T. Postman, M. Rettura, A. Blakeslee, J. P. Demarco, R. Jee, M. J. White, R. L. TI EARLY-TYPE GALAXIES AT z similar to 1.3. IV. SCALING RELATIONS IN DIFFERENT ENVIRONMENTS SO ASTROPHYSICAL JOURNAL LA English DT Article DE galaxies: clusters: individual (RX J0849+4452, RX J0848+4453); galaxies: elliptical and lenticular, cD; galaxies: evolution; galaxies: formation; galaxies: fundamental parameters; galaxies: high-redshift ID HIGH-REDSHIFT GALAXIES; DIGITAL SKY SURVEY; SUPERDENSE MASSIVE GALAXIES; COLOR-MAGNITUDE RELATION; STELLAR POPULATION SYNTHESIS; STAR-FORMATION HISTORIES; HUBBLE-SPACE-TELESCOPE; ORIGINS DEEP SURVEY; GOODS-SOUTH FIELD; ELLIPTIC GALAXIES AB We present the Kormendy and mass-size relations (MSR) for early-type galaxies (ETGs) as a function of environment at z similar to 1.3. Our sample includes 76 visually classified ETGs with masses 10(10) < M/M-circle dot < 10(11.5), selected in the Lynx supercluster and in the Great Observatories Origins Deep Survey/Chandra Deep Field South field; 31 ETGs in clusters, 18 in groups, and 27 in the field, all with multi-wavelength photometry and Hubble Space Telescope/Advanced Camera for Surveys observations. The Kormendy relation, in place at z similar to 1.3, does not depend on the environment. The MSR reveals that ETGs overall appear to be more compact in denser environments: cluster ETGs have sizes on average around 30%-50% smaller than those of the local universe and a distribution with a smaller scatter, whereas field ETGs show an MSR with a similar distribution to the local one. Our results imply that (1) the MSR in the field did not evolve overall from z similar to 1.3 to present; this is interesting and in contrast to the trend found at higher masses from previous works; (2) in denser environments, either ETGs have increased in size by 30%-50% on average and spread their distributions, or more ETGs have been formed within the dense environment from non-ETG progenitors, or larger galaxies have been accreted to a pristine compact population to reproduce the MSR observed in the local universe. Our results are driven by galaxies with masses M less than or similar to 2 x 10(11) M-circle dot and those with masses M similar to 10(11) M-circle dot follow the same trends as that of the entire sample. Following the Valentinuzzi et al. definition of superdense ETGs, similar to 35%-45% of our cluster sample is made up of superdense ETGs. C1 [Raichoor, A.; Mei, S.; Huertas-Company, M.] Observ Paris, GEPI, F-92190 Meudon, France. [Mei, S.; Huertas-Company, M.] Univ Paris Denis Diderot, F-75205 Paris 13, France. [Mei, S.] CALTECH, Pasadena, CA 91125 USA. [Stanford, S. A.; Rettura, A.; Jee, M. J.] Univ Calif Davis, Dept Phys, Davis, CA 95616 USA. [Stanford, S. A.] Lawrence Livermore Natl Lab, Inst Geophys & Planetary Phys, Livermore, CA 94551 USA. [Holden, B. P.; Illingworth, G.] Univ Calif Santa Cruz, UCO Lick Observ, Santa Cruz, CA 95065 USA. [Nakata, F.; Kodama, T.] Natl Inst Nat Sci, Natl Astron Observ Japan, Subaru Telescope, Hilo, HI 96720 USA. [Rosati, P.] European S Observ, D-85748 Garching, Germany. [Shankar, F.] Max Planck Inst Astrophys, D-85748 Garching, Germany. [Tanaka, M.] Univ Tokyo, Inst Phys & Math Universe, Chiba 2778583, Japan. [Ford, H.; Rettura, A.] Johns Hopkins Univ, Dept Phys & Astron, Baltimore, MD 21218 USA. [Kodama, T.] Natl Inst Nat Sci, Natl Astron Observ Japan, Mitaka, Tokyo 1818588, Japan. [Postman, M.; White, R. L.] Space Telescope Sci Inst, Baltimore, MD 21218 USA. [Rettura, A.] Univ Calif Riverside, Dept Phys & Astron, Riverside, CA 92521 USA. [Blakeslee, J. P.] Natl Res Council Canada, Herzberg Inst Astrophys, Victoria, BC V9E 2E7, Canada. [Demarco, R.] Univ Concepcion, Dept Astron, Concepcion, Chile. RP Raichoor, A (reprint author), Osserv Astron Brera, Via Brera 28, I-20121 Milan, Italy. EM anand.raichoor@brera.inaf.it OI Blakeslee, John/0000-0002-5213-3548 FU NASA [NAS 5-32865, NAS5-26555]; NASA HST [GO-10574.01-A]; Spitzer grant for program [20694]; W. M. Keck Foundation FX ACS was developed under NASA contract NAS 5-32865. This research has been supported by the NASA HST grant GO-10574.01-A, and Spitzer grant for program 20694. The Space Telescope Science Institute is operated by AURA Inc., under NASA contract NAS5-26555. Some of the data presented herein were obtained at the W. M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California and the National Aeronautics and Space Administration. The Observatory was made possible by the generous financial support of the W. M. Keck Foundation. The authors recognize and acknowledge the very significant cultural role and reverence that the summit of Mauna Kea has always had within the indigenous Hawaiian community. We are most fortunate to have the opportunity to conduct observations from this mountain. Some data were based on observations obtained at the Gemini Observatory, which is operated by the Association of Universities for Research in Astronomy, Inc., under a cooperative agreement with the NSF on behalf of the Gemini partnership: the National Science Foundation (United States), the Science and Technology Facilities Council (United Kingdom), the National Research Council (Canada), CONICYT (Chile), the Australian Research Council (Australia), Ministrio da Cincia e Tecnologia (Brazil), and Ministerio de Ciencia, Tecnologa e Innovacin Productiva (Argentina), Gemini Science Program ID: GN-2006A-Q-78. We thank the anonymous referee for a careful reading of the manuscript. A. R. thanks A. Graham for useful comments. NR 89 TC 26 Z9 26 U1 0 U2 1 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0004-637X J9 ASTROPHYS J JI Astrophys. J. PD FEB 1 PY 2012 VL 745 IS 2 AR 130 DI 10.1088/0004-637X/745/2/130 PG 17 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 893AI UT WOS:000300326800028 ER PT J AU Marino, SR Lin, S Maicrs, M Haagenson, M Spellman, S Klein, JP Binkowski, TA Lee, SJ van Besien, K AF Marino, S. R. Lin, S. Maicrs, M. Haagenson, M. Spellman, S. Klein, J. P. Binkowski, T. A. Lee, S. J. van Besien, K. TI Identification by random forest method of HLA class I amino acid substitutions associated with lower survival at day 100 in unrelated donor hematopoietic cell transplantation SO BONE MARROW TRANSPLANTATION LA English DT Article DE random forest analysis; HLA matching; amino acid substitutions; unrelated donor; hematopoietic cell transplantation ID BONE-MARROW-TRANSPLANTATION; VERSUS-HOST-DISEASE; HISTOCOMPATIBILITY ANTIGENS; MOLECULAR-MECHANISM; MICROARRAY DATA; CLASSIFICATION; MISMATCHES; ALLORECOGNITION; IMPACT; RISK AB The identification of important amino acid substitutions associated with low survival in hematopoietic cell transplantation (HCT) is hampered by the large number of observed substitutions compared with the small number of patients available for analysis. Random forest analysis is designed to address these limitations. We studied 2107 HCT recipients with good or intermediate risk hematological malignancies to identify HLA class I amino acid substitutions associated with reduced survival at day 100 post transplant. Random forest analysis and traditional univariate and multivariate analyses were used. Random forest analysis identified amino acid substitutions in 33 positions that were associated with reduced 100 day survival, including HLA-A 9, 43, 62, 63, 76, 77, 95, 97, 114, 116, 152, 156, 166 and 167; HLA-B 97, 109, 116 and 156; and HLA-C 6, 9, 11, 14, 21, 66, 77, 80, 95, 97, 99, 116, 156, 163 and 173. In all 13 had been previously reported by other investigators using classical biostatistical approaches. Using the same data set, traditional multivariate logistic regression identified only five amino acid substitutions associated with lower day 100 survival. Random forest analysis is a novel statistical methodology for analysis of HLA mismatching and outcome studies, capable of identifying important amino acid substitutions missed by other methods. Bone Marrow Transplantation (2012) 47, 217-226; doi:10.1038/bmt.2011.56; published online 28 March 2011 C1 [Marino, S. R.] Univ Chicago, Dept Pathol, Med Ctr, Chicago, IL 60637 USA. [Lin, S.] Univ Chicago, Dept Hlth Studies, Chicago, IL 60637 USA. [Maicrs, M.; Spellman, S.] Natl Marrow Donor Program, Minneapolis, MN USA. [Haagenson, M.] Stat Ctr Int Blood & Marrow Transplant Res, Minneapolis, MN USA. [Klein, J. P.] Med Coll Wisconsin, Milwaukee, WI 53226 USA. [Binkowski, T. A.] Argonne Natl Lab, Ctr Struct Genom Infect Dis, Argonne, IL 60439 USA. [Binkowski, T. A.] Argonne Natl Lab, Midwest Ctr Struct Genom, Argonne, IL 60439 USA. [Lee, S. J.] Fred Hutchinson Canc Res Ctr, Div Clin Res, Seattle, WA 98104 USA. [van Besien, K.] Univ Chicago, Dept Med, Med Ctr, Chicago, IL 60637 USA. RP Marino, SR (reprint author), Univ Chicago, Dept Pathol, Med Ctr, MC 0006,5841 S Maryland Ave, Chicago, IL 60637 USA. EM smarino@bsd.uchicago.edu RI van Besien, Koen/G-4221-2012; OI van Besien, Koen/0000-0002-8164-6211; Maiers, Martin/0000-0002-0198-2064 FU University of Chicago Cancer Research Center, Chicago, Illinois [6-33573 (SRM)]; Public Health Service [U24-CA76518]; National Cancer Institute (NCI); National Heart, Lung and Blood Institute (NHLBI) [5U01HL069294]; National Institute of Allergy and Infectious Diseases; Health Resources and Services Administration (DHHS) [HHSH234200637015C]; Office of Naval Research [N00014-06-1-0704, N00014-08-1-0058]; Amgen Inc.; Astellas Pharma US Inc.; Baxter International Inc.; Bayer HealthCare Pharmaceuticals; Be the Match Foundation; Biogen IDEC; BioMarin Pharmaceutical Inc.; Biovitrum AB; Blood-Center of Wisconsin; Blue Cross and Blue Shield Association; Bone Marrow Foundation; Canadian Blood and Marrow Transplant Group; CaridianBCT; Celgene Corporation; Cell-Genix; GmbH; Centers for Disease Control and Prevention; Children's Leukemia Research Association; ClinImmune Labs; CTI Clinical Trial and Consulting Services; Cubist Pharmaceuticals; Cylex Inc.; CytoTherm; DOR BioPharma Inc.; Dynal Biotech, an Invitrogen Company; Eisai Inc.; Enzon Pharmaceuticals Inc.; European Group for Blood and Marrow Transplantation; Gamida Cell Ltd.; GE Healthcare; Genentech Inc.; Genzyme Corporation; Histogenetics Inc.; HKS Medical Information Systems; Hospira Inc.; Infectious Diseases Society of America; Kiadis Pharma; Kirin Brewery Co. Ltd.; Leukemia and Lymphoma Society; Merck and Company; Medical College of Wisconsin; MGI Pharma Inc.; Michigan Community Blood Centers; Millennium Pharmaceuticals Inc.; Miller Pharmacal Group; Milliman USA Inc.; Miltenyi Biotec Inc.; National Marrow Donor Program; Nature Publishing Group; New York Blood Center; Novartis Oncology; Oncology Nursing Society; Osiris Therapeutics Inc.; Otsuka America Pharmaceutical Inc.; Pall Life Sciences; PDL BioPharma Inc; Pfizer Inc; Pharmion Corporation; Saladax Biomedical Inc.; Schering Corporation; Society for Healthcare Epidemiology of America; StemCyte Inc.; StemSoft Software Inc.; Sysmex America Inc.; Teva Pharmaceutical Industries; THERAKOS Inc.; Thermogenesis Corporation; Vidacare Corporation; Vion Pharmaceuticals Inc.; ViraCor Laboratories; ViroPharma Inc.; Wellpoint Inc. FX We thank Theodore Karrison, PhD, for statistical support. This study was supported by the University of Chicago Cancer Research Center, Chicago, Illinois (Fund-6-33573 (SRM)). The Center for International Blood and Marrow Transplant Research is supported by Public Health Service Grant/Cooperative Agreement U24-CA76518 from the National Cancer Institute (NCI), the National Heart, Lung and Blood Institute (NHLBI) and the National Institute of Allergy and Infectious Diseases; a Grant/Cooperative Agreement 5U01HL069294 from NHLBI and NCI; a contract HHSH234200637015C with Health Resources and Services Administration (DHHS); two Grants N00014-06-1-0704 and N00014-08-1-0058 from the Office of Naval Research; and grants from AABB; Aetna; American Society for Blood and Marrow Transplantation; Amgen Inc.; Anonymous donation to the Medical College of Wisconsin; Astellas Pharma US Inc.; Baxter International Inc.; Bayer HealthCare Pharmaceuticals; Be the Match Foundation; Biogen IDEC; BioMarin Pharmaceutical Inc.; Biovitrum AB; Blood-Center of Wisconsin; Blue Cross and Blue Shield Association; Bone Marrow Foundation; Canadian Blood and Marrow Transplant Group; CaridianBCT; Celgene Corporation; Cell-Genix, GmbH; Centers for Disease Control and Prevention; Children's Leukemia Research Association; ClinImmune Labs; CTI Clinical Trial and Consulting Services; Cubist Pharmaceuticals; Cylex Inc.; CytoTherm; DOR BioPharma Inc.; Dynal Biotech, an Invitrogen Company; Eisai Inc.; Enzon Pharmaceuticals Inc.; European Group for Blood and Marrow Transplantation; Gamida Cell Ltd.; GE Healthcare; Genentech Inc.; Genzyme Corporation; Histogenetics Inc.; HKS Medical Information Systems; Hospira Inc.; Infectious Diseases Society of America; Kiadis Pharma; Kirin Brewery Co. Ltd.; The Leukemia and Lymphoma Society; Merck and Company; The Medical College of Wisconsin; MGI Pharma Inc.; Michigan Community Blood Centers; Millennium Pharmaceuticals Inc.; Miller Pharmacal Group; Milliman USA Inc.; Miltenyi Biotec Inc.; National Marrow Donor Program; Nature Publishing Group; New York Blood Center; Novartis Oncology; Oncology Nursing Society; Osiris Therapeutics Inc.; Otsuka America Pharmaceutical Inc.; Pall Life Sciences; PDL BioPharma Inc; Pfizer Inc; Pharmion Corporation; Saladax Biomedical Inc.; Schering Corporation; Society for Healthcare Epidemiology of America; StemCyte Inc.; StemSoft Software Inc.; Sysmex America Inc.; Teva Pharmaceutical Industries; THERAKOS Inc.; Thermogenesis Corporation; Vidacare Corporation; Vion Pharmaceuticals Inc.; ViraCor Laboratories; ViroPharma Inc.; and Wellpoint Inc. The views expressed in this article do not reflect the official policy or position of the National Institute of Health, the Department of the Navy, the Department of Defense, or any other agency of the US Government. Author contributions: SRM conceptualized the study, interpreted the results and wrote the manuscript; SRM and SL designed the study; SL performed the univariate, multivariate, and random forest analyses; MM prepared amino acid database for analysis; MH prepared data for statistical analysis; SS and SJL contributed ideas and made significant contributions to the writing of the manuscript; JK performed multivariate analysis; TAB prepared the figure; KVB provided overall advice and guidance. All authors reviewed the manuscript. NR 25 TC 15 Z9 15 U1 0 U2 0 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 0268-3369 J9 BONE MARROW TRANSPL JI Bone Marrow Transplant. PD FEB PY 2012 VL 47 IS 2 BP 217 EP 226 DI 10.1038/bmt.2011.56 PG 10 WC Biophysics; Oncology; Hematology; Immunology; Transplantation SC Biophysics; Oncology; Hematology; Immunology; Transplantation GA 894GM UT WOS:000300415100009 PM 21441965 ER PT J AU Kreno, LE Leong, K Farha, OK Allendorf, M Van Duyne, RP Hupp, JT AF Kreno, Lauren E. Leong, Kirsty Farha, Omar K. Allendorf, Mark Van Duyne, Richard P. Hupp, Joseph T. TI Metal-Organic Framework Materials as Chemical Sensors SO CHEMICAL REVIEWS LA English DT Review ID SENSING APPLICATIONS; SORPTION PROPERTIES; POROUS FRAMEWORK; HYDROGEN STORAGE; MOLECULAR-SIEVE; ORIENTED GROWTH; GAS-ADSORPTION; SELF-DIFFUSION; THIN-FILMS; INTERPENETRATION C1 [Leong, Kirsty; Allendorf, Mark] Sandia Natl Labs, Livermore, CA 94551 USA. [Kreno, Lauren E.; Farha, Omar K.; Van Duyne, Richard P.; Hupp, Joseph T.] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA. RP Allendorf, M (reprint author), Sandia Natl Labs, Mail Stop 9291, Livermore, CA 94551 USA. EM mdallen@sandia.gov; j-hupp@northwestern.edu RI Hupp, Joseph/K-8844-2012; Farha, Omar/B-5512-2014 OI Hupp, Joseph/0000-0003-3982-9812; Farha, Omar/0000-0002-9904-9845 FU Defense Threat Reduction Agency [HDTRA1-09-1-0009]; National Defense Science and Engineering; U.S. Department of Energy Office of Proliferation Detection; Sandia Laboratory Directed Research and Development; U.S. Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The Northwestern group gratefully acknowledges the Defense Threat Reduction Agency (grant no. HDTRA1-09-1-0009) and the National Defense Science and Engineering Graduate Fellowship program (fellowship for L.E.K) for support of their own research on MOFs as chemical sensors. The Sandia group gratefully acknowledges the support of the U.S. Department of Energy Office of Proliferation Detection Advanced Materials Program and the Sandia Laboratory Directed Research and Development Program. Sandia National Laboratories is a multiprogram laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. NR 114 TC 2127 Z9 2146 U1 214 U2 1307 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 FEB PY 2012 VL 112 IS 2 SI SI BP 1105 EP 1125 DI 10.1021/cr200324t PG 21 WC Chemistry, Multidisciplinary SC Chemistry GA 895BX UT WOS:000300472300014 PM 22070233 ER PT J AU Millett, PC AF Millett, Paul C. TI Percolation on grain boundary networks: Application to fission gas release in nuclear fuels SO COMPUTATIONAL MATERIALS SCIENCE LA English DT Article DE Percolation; Fission gas release; Grain boundary; Nuclear fuel; Intergranular bubbles ID DIFFUSION; POROSITY; UO2 AB The percolation behavior of grain boundary networks is characterized in two-and three-dimensional lattices with circular macroscale cross-sections that correspond to nuclear fuel elements. The percolation of gas bubbles on grain boundaries, and the subsequent percolation of grain boundary networks is the primary mechanism of fission gas release from nuclear fuels. Both radial cracks and radial gradients in grain boundary property distributions are correlated with the fraction of grain boundaries vented to the free surfaces. Our results show that cracks surprisingly do not significantly increase the percolation of uniform grain boundary networks. However, for networks with radial gradients in boundary properties, the cracks can considerably raise the vented grain boundary content. (C) 2011 Elsevier B.V. All rights reserved. C1 Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Millett, PC (reprint author), Idaho Natl Lab, Idaho Falls, ID 83415 USA. EM Paul.Millett@inl.gov FU Nuclear Energy Modeling and Simulation (NEAMS) within the US Department of Energy FX PCM gratefully acknowledges insightful conversations with Megan Frary, Michael Tonks, and Bulent Biner; as well as financial support from the Nuclear Energy Modeling and Simulation (NEAMS) program within the US Department of Energy. NR 14 TC 11 Z9 11 U1 0 U2 13 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0256 J9 COMP MATER SCI JI Comput. Mater. Sci. PD FEB PY 2012 VL 53 IS 1 BP 31 EP 36 DI 10.1016/j.commatsci.2011.09.025 PG 6 WC Materials Science, Multidisciplinary SC Materials Science GA 898FP UT WOS:000300722900006 ER PT J AU Jaffe, JE Van Ginhoven, RM Jiang, WL AF Jaffe, John E. Van Ginhoven, Renee M. Jiang, Weilin TI Interstitial and substitutional zirconium in SrTiO3 SO COMPUTATIONAL MATERIALS SCIENCE LA English DT Article DE Density functional theory; Radiation effects; Waste materials ID AUGMENTED-WAVE METHOD; ELECTRONIC-STRUCTURE; ENERGIES; DEFECTS AB We investigate Zr in SrTiO3 (STO) as a model for nuclear waste forms in which the fission product Sr-90 eventually decays to stable Zr through beta emission. The transformation of a divalent into a tetravalent constituent is expected to affect the long-term structural and chemical stability of this solid. Computational methods of electronic structure theory, specifically the density functional theory (DFT) within the supercell model, are used to predict the thermodynamic stability and electronic states of interstitial and Sr- or Ti-substituted Zr atoms in the STO lattice. Native defects such as vacancies and antisites are also considered. When Zr replaces Sr, its most stable configuration is to simply occupy the Sr site. For Zr added to the lattice, its most stable configuration is to replace a Ti, making a Zr-Ti impurity plus a Ti interstitial. Zr-Sr is predicted to be a double electron donor, Zr-Ti is electrically inactive and interstitial Zr and Ti are predicted to be quadruple donors, with all donor levels in the conduction band. The interstitials are all predicted to increase the crystal volume, and lead to a tetragonal distortion of the lattice. Experiments with injection of Zr and O atoms into STO qualitatively confirm these predictions of crystal structural changes. (C) 2011 Elsevier B.V. All rights reserved. C1 [Jaffe, John E.; Van Ginhoven, Renee M.; Jiang, Weilin] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Jaffe, JE (reprint author), Pacific NW Natl Lab, POB 999, Richland, WA 99352 USA. EM john.jaffe@pnnl.gov OI Jiang, Weilin/0000-0001-8302-8313 NR 18 TC 6 Z9 7 U1 2 U2 26 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0927-0256 J9 COMP MATER SCI JI Comput. Mater. Sci. PD FEB PY 2012 VL 53 IS 1 BP 153 EP 157 DI 10.1016/j.commatsci.2011.08.023 PG 5 WC Materials Science, Multidisciplinary SC Materials Science GA 898FP UT WOS:000300722900022 ER PT J AU Kennedy, S Beavers, CM Teat, SJ Dalgarno, SJ AF Kennedy, Stuart Beavers, Christine M. Teat, Simon J. Dalgarno, Scott J. TI Pyridine Directed Assembly of Tetra-O-Alkyl p-Carboxylatocalix[4]arenes SO CRYSTAL GROWTH & DESIGN LA English DT Article ID CALIXARENE NANOTUBES; MOLECULAR CAPSULE; HYDROGEN-BONDS; METAL; COMPLEXES; COORDINATION; CONFINEMENT; BILAYERS; SPHERES; SOLIDS AB A crystallization study of four tetra-O-alkyl pcarboxylatocalix[4]arenes from a series of pyridine derivatives has been carried out to investigate the effects of varying the length of the calixarene lower-rim alkyl group introduced, and the introduction of alkyl groups around the pyridine guest/ template. Analysis of 11 of 24 possible sets of single crystals formed shows trends in self-assembly based on the availability of the calixarene cavity for guest/template inclusion, either Py center dot center dot center dot CO2H or CO2H center dot center dot center dot CO2H synthons, and dominance of one synthon over the other depending on the position of alkyl groups around the pyridine ring. C1 [Kennedy, Stuart; Dalgarno, Scott J.] Heriot Watt Univ, Edinburgh EH14 4AS, Midlothian, Scotland. [Beavers, Christine M.; Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Dalgarno, SJ (reprint author), Heriot Watt Univ, Edinburgh EH14 4AS, Midlothian, Scotland. EM S.J.Dalgarno@hw.ac.uk RI Beavers, Christine/C-3539-2009; Kennedy, Stuart/D-5248-2014; Dalgarno, Scott/A-7358-2010 OI Beavers, Christine/0000-0001-8653-5513; Kennedy, Stuart/0000-0002-1769-8797; Dalgarno, Scott/0000-0001-7831-012X FU EPSRC; Office of Science, Office of Basic Energy Sciences, of the US Department of Energy [DE-ACO2-05CH11231] FX We thank the EPSRC for funding. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the US Department of Energy under Contract No. DE-ACO2-05CH11231 NR 46 TC 10 Z9 10 U1 2 U2 17 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1528-7483 J9 CRYST GROWTH DES JI Cryst. Growth Des. PD FEB PY 2012 VL 12 IS 2 BP 679 EP 687 DI 10.1021/cg2008864 PG 9 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA 895BG UT WOS:000300470600019 ER PT J AU Kennedy, S Dodgson, IE Beavers, CM Teat, SJ Dalgarno, SJ AF Kennedy, Stuart Dodgson, India E. Beavers, Christine M. Teat, Simon J. Dalgarno, Scott J. TI Pyridine Directed Assembly of Di-O-Alkyl-tris-p-Carboxylatocalix[4]arenes SO CRYSTAL GROWTH & DESIGN LA English DT Article ID MOLECULAR CAPSULE; HYDROGEN-BONDS; COMPLEXES; COORDINATION; CONFINEMENT; CRYSTALS; BILAYERS; SOLIDS; ETHERS AB Crystallization of four di-O-alkyl-tris-p-carboxylatocalix[4]arenes from a series of pyridine derivatives has been carried out to investigate the effect of introducing alkyl groups around the pyridine guest/template. Where single crystals were obtained, for 12 of 24 possible structures, in all but one case the calixarenes assemble with the pyridine derivative into hydrogen-bonded head-to-head dimers within extended bilayer or nanotubular arrays. C1 [Kennedy, Stuart; Dodgson, India E.; Dalgarno, Scott J.] Heriot Watt Univ, Edinburgh EH14 4AS, Midlothian, Scotland. [Beavers, Christine M.; Teat, Simon J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Dalgarno, SJ (reprint author), Heriot Watt Univ, Edinburgh EH14 4AS, Midlothian, Scotland. EM S.J.Dalgarno@hw.ac.uk RI Beavers, Christine/C-3539-2009; Kennedy, Stuart/D-5248-2014; Dalgarno, Scott/A-7358-2010 OI Beavers, Christine/0000-0001-8653-5513; Kennedy, Stuart/0000-0002-1769-8797; Dalgarno, Scott/0000-0001-7831-012X FU EPSRC; National Centre for Mass Spectrometry in Swansea; Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy [ACO2-05CH11231] FX We thank the EPSRC for funding and support through the National Centre for Mass Spectrometry in Swansea. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-ACO2-05CH11231. NR 28 TC 14 Z9 14 U1 1 U2 12 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1528-7483 J9 CRYST GROWTH DES JI Cryst. Growth Des. PD FEB PY 2012 VL 12 IS 2 BP 688 EP 697 DI 10.1021/cg200887d PG 10 WC Chemistry, Multidisciplinary; Crystallography; Materials Science, Multidisciplinary SC Chemistry; Crystallography; Materials Science GA 895BG UT WOS:000300470600020 ER PT J AU Cook, B Zeng, N Yoon, JH AF Cook, Brian Zeng, Ning Yoon, Jin-Ho TI Will Amazonia Dry Out? Magnitude and Causes of Change from IPCC Climate Model Projections SO EARTH INTERACTIONS LA English DT Article DE Climate change; Amazonia; Drought ID NINO-SOUTHERN-OSCILLATION; ATMOSPHERIC CARBON-DIOXIDE; RAIN-FOREST; INTERANNUAL VARIABILITY; TROPICAL DEFORESTATION; CO2 EMISSIONS; PRECIPITATION; DROUGHT; CYCLE; RESPONSES AB The Amazon rain forest may undergo significant change in response to future climate change. To determine the likelihood and causes of such changes, the authors analyzed the output of 24 models from the Intergovernmental Panel on Climate Change (IPCC) Fourth Assessment Report (AR4) and a dynamic vegetation model, Vegetation-Global-Atmosphere-Soil (VEGAS), driven by these climate output. Their results suggest that the core of the Amazon rain forest should remain largely stable because rainfall in the core of the basin is projected to increase in nearly all models. However, the periphery, notably the southern edge of Amazonia and farther south into central Brazil (SAB), is in danger of drying out, driven by two main processes. First, a decline in precipitation of 11% during the southern Amazonia's dry season (May-September) reduces soil moisture. Two dynamical mechanisms may explain the forecast reduction in dry season rainfall: 1) a general subtropical drying under global warming when the dry season southern Amazon basin is under the control of subtropical high pressure and 2) a stronger north-south tropical Atlantic sea surface temperature gradient and, to a lesser degree, a warmer eastern equatorial Pacific. The drying corresponds to a lengthening of the dry season by approximately 10 days. The decline in soil moisture occurs despite an increase in precipitation during the wet season, because of nonlinear responses in hydrology associated with the decline in dry season precipitation, ecosystem dynamics, and an increase in evaporative demand due to the general warming. In terms of ecosystem response, higher maintenance cost and reduced productivity under warming may also have additional adverse impact. Although the IPCC models have substantial intermodel variation in precipitation change, these latter two hydroecological effects are highly robust because of the general warming simulated by all models. As a result, when forced by these climate projections, a dynamic vegetation model VEGAS projects an enhancement of fire risk by 20%-30% in the SAB region. Fire danger reaches its peak in Amazonia during the dry season, and this danger is expected to increase primarily because of the reduction in soil moisture and the decrease in dry season rainfall. VEGAS also projects a reduction of about 0.77 in leaf area index (LAI) over the SAB region. The vegetation response may be partially mediated by the CO2 fertilization effect, because a sensitivity experiment without CO2 fertilization shows a higher 0.89 decrease in LAI. Southern Amazonia is currently under intense human influence as a result of deforestation and land-use change. Should this direct human impact continue at present rates, added pressure to the region's ecosystems from climate change may subject the region to profound changes in the twenty-first century. C1 [Cook, Brian; Zeng, Ning; Yoon, Jin-Ho] Univ Maryland, Dept Atmospher & Ocean Sci, College Pk, MD 20742 USA. [Cook, Brian] US EPA, Washington, DC 20460 USA. [Zeng, Ning; Yoon, Jin-Ho] Univ Maryland, Earth Syst Sci Interdisciplinary Ctr, College Pk, MD 20742 USA. [Yoon, Jin-Ho] Pacific NW Natl Lab, Richland, WA 99352 USA. RP Zeng, N (reprint author), Univ Maryland, Dept Atmospher & Ocean Sci, College Pk, MD 20742 USA. EM zeng@atmos.umd.edu RI Zeng, Ning/A-3130-2008; YOON, JIN-HO/A-1672-2009 OI Zeng, Ning/0000-0002-7489-7629; YOON, JIN-HO/0000-0002-4939-8078 FU NSF [ATM0739677, TG-ATM110014]; NOAA [NA04OAR4310091, NA04OAR4310114]; Battelle Memorial Institute [DE-AC06-76RLP1830] FX We acknowledge the modeling groups, the Program for Climate Model Diagnosis and Intercomparison (PCMDI), and the WCRP Working Group on Coupled Modeling (WGCM) for their roles in making available the WCRP CMIP3 multimodel dataset. We thank J. D. Neelin, V. Brovkin, and K. Cook for discussion. Comments from Dr. Maoyi Huang at PNNL were greatly appreciated. This research was supported by NSF Grant ATM0739677 and NOAA Grants NA04OAR4310091 and NA04OAR4310114. Computation was in part performed at TeraGrid resources supported by National Science Foundation under Grant TG-ATM110014. Also, this research is partially supported by NOAA/Climate Prediction Programs for the Americas (CPPA) to PNNL. PNNL is operated for the U.S. Department of Energy by Battelle Memorial Institute under Contract DE-AC06-76RLP1830. NR 71 TC 9 Z9 9 U1 3 U2 63 PU AMER GEOPHYSICAL UNION PI WASHINGTON PA 2000 FLORIDA AVE NW, WASHINGTON, DC 20009 USA SN 1087-3562 J9 EARTH INTERACT JI Earth Interact. PD FEB PY 2012 VL 16 AR 3 DI 10.1175/2011EI398.1 PG 27 WC Geosciences, Multidisciplinary SC Geology GA 897AU UT WOS:000300613800001 ER PT J AU Dannemann, KA Chalivendra, VB Song, B AF Dannemann, K. A. Chalivendra, V. B. Song, B. TI Dynamic Behavior of Materials SO EXPERIMENTAL MECHANICS LA English DT Editorial Material C1 [Dannemann, K. A.] SW Res Inst, San Antonio, TX USA. [Chalivendra, V. B.] Univ Massachusetts Dartmouth, N Dartmouth, MA USA. [Song, B.] Sandia Natl Labs, Livermore, CA USA. RP Dannemann, KA (reprint author), SW Res Inst, San Antonio, TX USA. EM kdannemann@swri.org RI Song, Bo/D-3945-2011 NR 6 TC 1 Z9 1 U1 1 U2 5 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0014-4851 J9 EXP MECH JI Exp. Mech. PD FEB PY 2012 VL 52 IS 2 SI SI BP 117 EP 118 DI 10.1007/s11340-012-9598-0 PG 2 WC Materials Science, Multidisciplinary; Mechanics; Materials Science, Characterization & Testing SC Materials Science; Mechanics GA 896PS UT WOS:000300582300001 ER PT J AU Todd, SN Caipen, TL Anderson, MU Lee, BD AF Todd, S. N. Caipen, T. L. Anderson, M. U. Lee, B. D. TI Modeling Damage Induced Initiation of Explosives SO EXPERIMENTAL MECHANICS LA English DT Article DE Impact initiation; Non-shock initiation; Initiation model; Damage initiation; Shear initiation AB Sandia National Laboratories developed the DaMaGe Initiated Reaction (DMGIR) model to numerically predict weakly supported shock waves that generate an initiation at energy levels below the shock-to-detonation transition (SDT) of an explosive. The DMGIR model couples the strain energy fluence contribution from damage to the initiation process. It does not attempt to include all possible specific initiation mechanisms at the mesoscale, but instead looks at cumulative damage incurred in the explosive through experimental calibration of a small number of material constants. Both shock pressure (hydrostatic) and shear stress (deviatoric) are accounted for in the summation. The model was designed to be robust and relatively simple to calibrate. The DMGIR model is implemented into the Sandia National Laboratories' CTH shock wave and large deformation code. The model runs concurrently with the existing History Variable Reactive Burn (HVRB) model currently used for shock initiation. C1 [Todd, S. N.; Anderson, M. U.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Caipen, T. L.; Lee, B. D.] Appl Res Associates Inc, Albuquerque, NM 87110 USA. RP Todd, SN (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM sntodd@sandia.gov FU Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors would like to thank Chance Hughs, Shawn Parks, and Charles Jensen for their contributions to this research program. Sandia is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. NR 12 TC 0 Z9 1 U1 1 U2 13 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0014-4851 J9 EXP MECH JI Exp. Mech. PD FEB PY 2012 VL 52 IS 2 SI SI BP 145 EP 151 DI 10.1007/s11340-011-9533-9 PG 7 WC Materials Science, Multidisciplinary; Mechanics; Materials Science, Characterization & Testing SC Materials Science; Mechanics GA 896PS UT WOS:000300582300004 ER PT J AU Casem, DT Grunschel, SE Schuster, BE AF Casem, D. T. Grunschel, S. E. Schuster, B. E. TI Normal and Transverse Displacement Interferometers Applied to Small Diameter Kolsky Bars SO EXPERIMENTAL MECHANICS LA English DT Article DE Kolsky bar; Split Hopkinson Pressure Bar; Normal displacement interferometer; Transverse displacement interferometer; High strain-rate testing ID HOPKINSON PRESSURE BAR; HIGH-STRAIN RATES; DISPERSION; IMPACT AB For Kolsky bar testing beyond strain-rates of 10,000/s, it is useful to employ bars with diameters of only a few millimeters or less. Furthermore, very small (sub-millimeter) systems are compatible with micron-sized specimens, to be used, for example, for the determination of mesoscale properties. However, at these sizes, traditional strain-gage measurements of the longitudinal waves within the bars become impractical. In this paper we describe the application of optical measurement techniques to two Kolsky bars, with 3.2 and 1.6 mm diameters. A transverse displacement interferometer is used to measure the displacement of the mid-point of the incident bar and provide measurements of the incident and reflected pulses. Similarly, a normal displacement interferometer is used to measure the displacement of the free-end of the transmitter bar and provide a measurement of the transmitted pulse. The new methods are used to characterize the behavior of 6061-T6 aluminum at rates greater than 100,000/s. The feasibility of application to smaller bars is also discussed. C1 [Casem, D. T.] USA, Res Lab, RDRL WMP B, Aberdeen, MD 21005 USA. [Schuster, B. E.] USA, Res Lab, RDRL WML H, Aberdeen, MD 21005 USA. [Grunschel, S. E.] Oak Ridge Inst Sci & Educ, Oak Ridge, TN USA. RP Casem, DT (reprint author), USA, Res Lab, RDRL WMP B, Aberdeen, MD 21005 USA. EM Daniel.t.casem.civ@mail.mil FU U.S. Army Research Laboratory; U.S. Department of Energy; USARL FX This research was supported in part by an appointment to the Postgraduate Research Participation Program at the U.S. Army Research Laboratory administered by the Oak Ridge Institute for Science and Education through an interagency agreement between the U.S. Department of Energy and USARL. NR 21 TC 9 Z9 9 U1 1 U2 13 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0014-4851 EI 1741-2765 J9 EXP MECH JI Exp. Mech. PD FEB PY 2012 VL 52 IS 2 SI SI BP 173 EP 184 DI 10.1007/s11340-011-9524-x PG 12 WC Materials Science, Multidisciplinary; Mechanics; Materials Science, Characterization & Testing SC Materials Science; Mechanics GA 896PS UT WOS:000300582300007 ER PT J AU Igci, Y Pannala, S Benyahia, S Sundaresan, S AF Igci, Yesim Pannala, Sreekanth Benyahia, Sofiane Sundaresan, Sankaran TI Validation Studies on Filtered Model Equations for Gas-Particle Flows in Risers SO INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH LA English DT Article ID CIRCULATING FLUIDIZED-BED; MESOSCALE STRUCTURES; SIMULATION; SECTION AB In our prior studies ([Igci, Y., et al., AIChE J., 2008, 54, 1431-1448] and [Igci, Y., Sundaresan S., AIChE J., 2010, in press]) we presented a methodology where computational results obtained through highly resolved simulations of a given microscopic two-fluid model (TFM) for gas-particle flows are filtered to deduce constitutive models for the residual correlations appearing in the corresponding filtered TFM equations that are appropriate for coarse-grid simulations of gas-particle flows. We had also analyzed the flow behavior in the vicinity of solid boundaries and proposed wall corrections for these constitutive models. We had ascertained that the filtered models do yield nearly the same time-averaged macroscale flow behavior in vertical channel flows as the underlying kinetic-theory-based TFM, thus verifying the filtered model approach. In the present study, we have performed a set of 3D computational simulations for validation of the filtered TFM against the experimental data on riser flow [Karri, S., et al., PSRI Challenge Problem 1, Workshop 3 Modeling Test, at the 8th International Conference on Fluidization, Tour, France, 1995]. It is found that inclusion of wall corrections brings the filtered model predictions closer to the experimental data and that simulations corresponding to different filter lengths yield nearly the same results. C1 [Igci, Yesim; Sundaresan, Sankaran] Princeton Univ, Dept Chem & Biol Engn, Princeton, NJ 08544 USA. [Pannala, Sreekanth] Oak Ridge Natl Lab, Oak Ridge, TN USA. [Benyahia, Sofiane] Natl Energy Technol, Dept Energy, Morgantown, WV USA. RP Sundaresan, S (reprint author), Princeton Univ, Dept Chem & Biol Engn, Princeton, NJ 08544 USA. EM sundar@princeton.edu RI Pannala, Sreekanth/F-9507-2010 FU US Department of Energy [CDE-FC26-00NT40971, DE-PS26-05NT42472-11]; ExxonMobil Research & Engineering Company FX Sundaresan is delighted to contribute this manuscript for the special issue honoring Professor K. D. P. Nigam. This work was supported by the US Department of Energy (Grants CDE-FC26-00NT40971 and DE-PS26-05NT42472-11) and the ExxonMobil Research & Engineering Company. Y. Igci acknowledges summer training on MFIX at the National Energy Technology Laboratory, Morgantown, WV. S. Pannala acknowledges support from US DOE's Fossil Energy program. NR 26 TC 28 Z9 30 U1 0 U2 14 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0888-5885 J9 IND ENG CHEM RES JI Ind. Eng. Chem. Res. PD FEB 1 PY 2012 VL 51 IS 4 BP 2094 EP 2103 DI 10.1021/ie2007278 PG 10 WC Engineering, Chemical SC Engineering GA 894ZX UT WOS:000300467100064 ER PT J AU Kim, HW Chan, QL Afton, SE Caruso, JA Lai, B Weintraub, NL Qin, ZY AF Kim, Ha Won Chan, Qilin Afton, Scott E. Caruso, Joseph A. Lai, Barry Weintraub, Neal L. Qin, Zhenyu TI Human Macrophage ATP7A is Localized in the trans-Golgi Apparatus, Controls Intracellular Copper Levels, and Mediates Macrophage Responses to Dermal Wounds SO INFLAMMATION LA English DT Article DE macrophage; copper; ATP7A ID GROWTH-FACTOR RECEPTOR-1; RAY-FLUORESCENCE MICROSCOPY; SUPEROXIDE-DISMUTASE; MENKES DISEASE; THP-1 CELLS; HINDLIMB ISCHEMIA; CANDIDATE GENE; MIGRATION; EXPRESSION; ANGIOGENESIS AB The copper transporter ATP7A has attracted significant attention since the discovery of its gene mutation leading to human Menkes disease. We previously reported that ATP7A is highly expressed in the human vasculature and identified a novel vascular function of ATP7A in modulation of the expression and activity of extracellular superoxide dismutase. We recently identified that ATP7A expression in THP-1 cells (a monocyte/macrophage model cell line) plays a role in the oxidation of low density lipoproteins, indicating that it is necessary to further investigate its expression and function in monocytes/macrophages. In the current study, we demonstrated the protein and mRNA expression of ATP7A in human peripheral blood mononuclear cell (PBMC)-derived macrophages and alveolar macrophages. ATP7A was strongly co-localized with the trans-Golgi apparatus in PBMC-derived macrophages. Intracellular copper, detected by synchrotron X-ray fluorescence microscopy, was found to be distributed to the nucleus and cytoplasm in human THP-1 cells. To confirm the role of endogenous ATP7A in macrophage copper homeostasis, we performed inductively coupled plasma mass spectrometry in murine peritoneal macrophages, which showed markedly increased intracellular copper levels in macrophages isolated from ATP7A-deficient mice versus control mice. Moreover, the role of ATP7A in regulating macrophage responses to dermal wounds was studied by introduction of control and ATP7A-downregulated THP-1 cells into dermal wounds of nude mice. Infiltration of THP-1 cells into the wounded area (detected by expression of human macrophage markers MAC2 and CD68) was reduced in response to downregulation of ATP7A, hinting decreased macrophage accumulation subsequent to dermal wounds. In summary, alongside our previous studies, these findings indicate that human macrophage ATP7A is localized in the trans-Golgi apparatus, regulates intracellular copper levels, and mediates macrophage responses to a dermal wound. C1 [Qin, Zhenyu] Univ Texas Hlth Sci Ctr San Antonio, Div Vasc Surg, Dept Surg, San Antonio, TX 78229 USA. [Kim, Ha Won; Chan, Qilin; Afton, Scott E.; Weintraub, Neal L.; Qin, Zhenyu] Univ Cincinnati, Div Cardiovasc Dis, Dept Internal Med, Cincinnati, OH 45267 USA. [Chan, Qilin; Afton, Scott E.; Caruso, Joseph A.] Univ Cincinnati, Dept Chem, Coll Arts & Sci, Cincinnati, OH 45267 USA. [Lai, Barry] Argonne Natl Lab, Xray Sci Div, Argonne, IL 60439 USA. RP Qin, ZY (reprint author), Univ Texas Hlth Sci Ctr San Antonio, Div Vasc Surg, Dept Surg, San Antonio, TX 78229 USA. EM qinz@uthscsa.edu FU American Heart Association [0835268N]; National Institute of Health [HL-076684, HL-62984]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was supported by a National Scientist Development Grant (0835268N) from the American Heart Association and grants HL-076684 and HL-62984 from the National Institute of Health. Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. We thank Birgit Ehmer and Chet Closson for assisting with the immunofluorescence microscopy and confocal microscopy, Dr. Oyebode Olakanmi for developing the protocol to isolate human PBMC-derived macrophages, and Dr. Dennis McGraw for providing human alveolar macrophages. NR 47 TC 15 Z9 15 U1 0 U2 8 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0360-3997 J9 INFLAMMATION JI Inflammation PD FEB PY 2012 VL 35 IS 1 BP 167 EP 175 DI 10.1007/s10753-011-9302-z PG 9 WC Cell Biology; Immunology SC Cell Biology; Immunology GA 896FM UT WOS:000300550900020 PM 21336677 ER PT J AU Yue, FX Lu, FC Sun, RC Ralph, J AF Yue, Fengxia Lu, Fachuang Sun, Run-Cang Ralph, John TI Syntheses of Lignin-Derived Thioacidolysis Monomers and Their Uses as Quantitation Standards SO JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY LA English DT Article DE Lignin; thioacidolysis; alylglycerol; GC-MS; synthesis; response factor ID ENANTIOSELECTIVE SYNTHESIS; ASYMMETRIC-SYNTHESIS; ETHER; IDENTIFICATION; EFFICIENCY; PRODUCTS; CLEAVAGE; POPLARS AB Analytical thioacidolysis releases diagnostic monomers from lignins by selectively cleaving alkyl aryl ether bonds. High yielding syntheses of the three thioacidolysis monomers were developed, and the compounds were used as standards for gas chromatography mass spectrometry (GC-MS) and gas chromatography flame ionization detector (GC-FID) quantitation of monomers released from lignocellulosics. First, syringyl, guaiacyl, and p-hydroxyphenyl glycerols were synthesized from the corresponding ethyl cinnamates and used as thioacidolysis substrates to prepare the monomers in high yields. These monomers were then used as standard compounds to measure their GC-MS and GC-FID response factors against two internal standards, 4,4'-ethylenebisphenol and tetracosane. For quantitation, it was shown that 4,4'-ethylenebisphenol is the better internal standard for GC-MS, whereas tetracosane remains the choice for GC-FID. When the obtained response factors were applied, the thioacidolysis monomer yields from white spruce, loblolly pine, poplar, bamboo, and sugar cane bagasse were determined by GC-MS. The obtained results were consistent with those reported in the literature. C1 [Yue, Fengxia; Lu, Fachuang; Sun, Run-Cang] S China Univ Technol, State Key Lab Pulp & Paper Engn, Guangzhou 510640, Guangdong, Peoples R China. [Yue, Fengxia; Lu, Fachuang; Ralph, John] Univ Wisconsin Madison, Dept Biochem, Dept Energy DOE, Great Lakes Bioenergy Res Ctr, Madison, WI 53726 USA. [Yue, Fengxia; Lu, Fachuang; Ralph, John] Univ Wisconsin Madison, Wisconsin Bioenergy Initiat, Madison, WI 53726 USA. [Sun, Run-Cang] Beijing Forestry Univ, Coll Mat Sci & Technol, Beijing 100083, Peoples R China. RP Lu, FC (reprint author), S China Univ Technol, State Key Lab Pulp & Paper Engn, Guangzhou 510640, Guangdong, Peoples R China. EM fachuanglu@wisc.edu FU China Scholarship Council, State Education Department FX The authors thank the China Scholarship Council, State Education Department, for supporting Fengxia Yue as a visiting student at the Department of Biochemistry, University of Wisconsin, and at the Great Lakes Bioenergy Research Center. NR 30 TC 14 Z9 15 U1 4 U2 31 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0021-8561 J9 J AGR FOOD CHEM JI J. Agric. Food Chem. PD FEB 1 PY 2012 VL 60 IS 4 BP 922 EP 928 DI 10.1021/jf204481x PG 7 WC Agriculture, Multidisciplinary; Chemistry, Applied; Food Science & Technology SC Agriculture; Chemistry; Food Science & Technology GA 894YD UT WOS:000300462500009 PM 22191493 ER PT J AU Satoh, Y Tajima, K Munekata, M Keasling, JD Lee, TS AF Satoh, Yasuharu Tajima, Kenji Munekata, Masanobu Keasling, Jay D. Lee, Taek Soon TI Engineering of a Tyrosol-Producing Pathway, Utilizing Simple Sugar and the Central Metabolic Tyrosine, in Escherichia coli SO JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY LA English DT Article DE tyrosol (2-(4-hydroxyphenyl)ethanol); Ehrlich pathway; metabolic engineering Escherichia coli ID OLIVE MILL WASTEWATERS; ANTIOXIDANT HYDROXYTYROSOL; PHENOLIC-COMPOUNDS; SACCHAROMYCES-CEREVISIAE; PSEUDOMONAS-AERUGINOSA; HYDROXYBENZYL ALCOHOL; TYRAMINE OXIDASE; POLYPHENOLS; CONVERSION; CELLS AB Metabolic engineering was applied to the development of Escherichia coli capable of synthesizing tyrosol hydroxyphenyl)ethanol), an attractive phenolic compound with great industrial value, from glucose, a renewable carbon source. In this strain, tyrosine, which was supplied not only from the culture medium but also from the central metabolism, was converted into tyrosol via three steps: decarboxylation, amine oxidation, and reduction. The engineered strain synthesized both tyrosol and 4-hydroxyphenylacetate (4HPA), but disruption of the endogenous phenylacetaldehyde dehydrogenase gene shut off 4HPA production and improved the production of tyrosol as a sole product. The engineered mutant strain was capable of producing 0.5 mM tyrosol from 1% (w/v) glucose during a 48 h shake flask cultivation. C1 [Satoh, Yasuharu; Keasling, Jay D.; Lee, Taek Soon] Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Phys Biosci Div, Emeryville, CA 94608 USA. [Satoh, Yasuharu; Tajima, Kenji; Munekata, Masanobu] Hokkaido Univ, Fac Engn, Sapporo, Hokkaido 0608628, Japan. [Keasling, Jay D.; Lee, Taek Soon] Univ Calif Berkeley, Synthet Biol Engn Res Ctr, Berkeley, CA 94720 USA. [Keasling, Jay D.] Univ Calif Berkeley, Dept Bioengn, Berkeley, CA 94720 USA. [Keasling, Jay D.] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA. RP Lee, TS (reprint author), Lawrence Berkeley Natl Lab, Joint BioEnergy Inst, Phys Biosci Div, Emeryville, CA 94608 USA. EM tslee@lbl.gov RI Tajima, Kenji/B-1379-2012; Satoh, Yasuharu/H-4174-2012; Keasling, Jay/J-9162-2012; OI Keasling, Jay/0000-0003-4170-6088; Satoh, Yasuharu/0000-0001-6671-7758 NR 47 TC 8 Z9 10 U1 2 U2 22 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 0021-8561 J9 J AGR FOOD CHEM JI J. Agric. Food Chem. PD FEB 1 PY 2012 VL 60 IS 4 BP 979 EP 984 DI 10.1021/jf203256f PG 6 WC Agriculture, Multidisciplinary; Chemistry, Applied; Food Science & Technology SC Agriculture; Chemistry; Food Science & Technology GA 894YD UT WOS:000300462500017 PM 22225426 ER PT J AU van der Vliet, D Strmcnik, DS Wang, C Stamenkovic, VR Markovic, NM Koper, MTM AF van der Vliet, Dennis Strmcnik, Dusan S. Wang, Chao Stamenkovic, Vojislav R. Markovic, Nenad M. Koper, Marc T. M. TI On the importance of correcting for the uncompensated Ohmic resistance in model experiments of the Oxygen Reduction Reaction (vol 647, pg 29, 2010) SO JOURNAL OF ELECTROANALYTICAL CHEMISTRY LA English DT Correction C1 [van der Vliet, Dennis; Strmcnik, Dusan S.; Wang, Chao; Stamenkovic, Vojislav R.; Markovic, Nenad M.] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA. [Koper, Marc T. M.] Leiden Univ, Leiden Inst Chem, NL-2300 RA Leiden, Netherlands. RP van der Vliet, D (reprint author), Argonne Natl Lab, Div Mat Sci, 9700 S Cass Ave, Argonne, IL 60439 USA. EM vandervliet@anl.gov NR 2 TC 0 Z9 0 U1 3 U2 34 PU ELSEVIER SCIENCE SA PI LAUSANNE PA PO BOX 564, 1001 LAUSANNE, SWITZERLAND SN 1572-6657 J9 J ELECTROANAL CHEM JI J. Electroanal. Chem. PD FEB 1 PY 2012 VL 666 BP 89 EP 89 DI 10.1016/j.jelechem.2011.12.008 PG 1 WC Chemistry, Analytical; Electrochemistry SC Chemistry; Electrochemistry GA 896DJ UT WOS:000300545300012 ER PT J AU Johanns, KE Sedlmayr, A Phani, PS Monig, R Kraft, O George, EP Pharr, GM AF Johanns, Kurt E. Sedlmayr, Andreas Phani, P. Sudharshan Moenig, Reiner Kraft, Oliver George, Easo P. Pharr, George M. TI In-situ tensile testing of single-crystal molybdenum-alloy fibers with various dislocation densities in a scanning electron microscope SO JOURNAL OF MATERIALS RESEARCH LA English DT Article ID MECHANICAL-PROPERTIES; COMPRESSIVE BEHAVIOR; SIZE DEPENDENCE; MICRON SCALE; PLASTICITY; STRENGTH; COPPER; MICROPILLARS; DEFORMATION; NANOSCALE AB In-situ tensile tests have been performed in a dual beam focused ion beam and scanning electron microscope on as-grown and prestrained single-crystal molybdenum-alloy (Mo-alloy) fibers. The fibers had approximately square cross sections with submicron edge lengths and gauge lengths in the range of 9-41 mu m. In contrast to previously observed yield strengths near the theoretical strength of 10 GPa in compression tests of similar to 1-3-mu m long pillars made from similar Mo-alloy single crystals, a wide scatter of yield strengths between 1 and 10 GPa was observed in the as-grown fibers tested in tension. Deformation was dominated by inhomogeneous plastic events, sometimes including the formation of Luders bands. In contrast, highly prestrained fibers exhibited stable plastic flow, significantly lower yield strengths of similar to 1 GPa, and stress-strain behavior very similar to that in compression. A simple, statistical model incorporating the measured dislocation densities is developed to explain why the tension and compression results for the as-grown fibers are different. C1 [Johanns, Kurt E.; Phani, P. Sudharshan; George, Easo P.; Pharr, George M.] Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. [Sedlmayr, Andreas; Moenig, Reiner; Kraft, Oliver] Karlsruhe Inst Technol, Inst Mat Res 2, D-76021 Karlsruhe, Germany. [George, Easo P.; Pharr, George M.] Oak Ridge Natl Lab, Mat Sci & Technol Div, Oak Ridge, TN 37831 USA. RP Pharr, GM (reprint author), Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA. EM pharr@utk.edu RI George, Easo/L-5434-2014 FU U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division; Center for Defect Physics, an Energy Frontier Research Center; Office of Basic Energy Sciences, U.S. Department of Energy; Alexander von Humboldt Foundation FX This work was supported by the U.S. Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division (materials synthesis and modeling) and the Center for Defect Physics, an Energy Frontier Research Center supported by the Office of Basic Energy Sciences, U.S. Department of Energy (materials characterization and testing). GMP gratefully acknowledges the Alexander von Humboldt Foundation for fellowship support during the period in which the work was performed. NR 33 TC 16 Z9 16 U1 2 U2 32 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0884-2914 J9 J MATER RES JI J. Mater. Res. PD FEB PY 2012 VL 27 IS 3 BP 508 EP 520 DI 10.1557/jmr.2011.298 PG 13 WC Materials Science, Multidisciplinary SC Materials Science GA 886TT UT WOS:000299877500002 ER PT J AU Kim, Y Budiman, AS Baldwin, JK Mara, NA Misra, A Han, SM AF Kim, Youbin Budiman, Arief Suriadi Baldwin, J. Kevin Mara, Nathan A. Misra, Amit Han, Seung Min TI Microcompression study of Al-Nb nanoscale multilayers SO JOURNAL OF MATERIALS RESEARCH LA English DT Article ID STRAIN GRADIENT PLASTICITY; MECHANICAL-PROPERTIES; THIN-FILMS; DEFORMATION MECHANISMS; METALLIC MULTILAYERS; CU/NB MULTILAYERS; WEAK INTERFACES; COMPOSITES; DISLOCATION; NANOINDENTATION AB Microcompression tests were performed on the Al/Nb multilayers of incoherent interfaces with the layer thicknesses of 5 nm Al/5 nm Nb and 50 nm Al/50 nm Nb. The Al-Nb multilayers showed increase in strength as the layer thickness was reduced; the average flow stresses at 5% plastic strain from the 5 nm Al/5 nm Nb and 50 nm Al/50 nm Nb layer thickness specimens were determined to be 2.1 GPa and 1.4 GPa respectively. The results from this Al-Nb microcompression study were compared with those of the previous report on Cu-Nb multilayer microcompression results that indicated that the flow stresses of the Al-Nb multilayer are lower than those of Cu-Nb with the same bilayer spacing. The observed difference in strength was attributed to a potential difference in the interfacial strength of the two incoherent multilayer systems. C1 [Han, Seung Min] Korea Adv Inst Sci & Technol, Grad Sch EEWS, Taejon 35701, South Korea. [Kim, Youbin] Korea Adv Inst Sci & Technol, Grad Sch EEWS, Taejon 305701, South Korea. [Budiman, Arief Suriadi; Baldwin, J. Kevin; Mara, Nathan A.; Misra, Amit] Los Alamos Natl Lab, Ctr Integrated Nanotechnol CINT, Los Alamos, NM 87545 USA. RP Han, SM (reprint author), Korea Adv Inst Sci & Technol, Grad Sch EEWS, Taejon 35701, South Korea. EM smhan01@kaist.ac.kr RI Misra, Amit/H-1087-2012; Han, Seung Min/C-1809-2011; Mara, Nathan/J-4509-2014; OI Mara, Nathan/0000-0002-9135-4693 FU National Research Foundation of Korea [4.0007357, N01110283]; KINC at KAIST [N10110033]; DOE, Office of Science, Office of Basic Energy Sciences, Division of Materials Science and Engineering; Los Alamos National Laboratory (LANL) [LDRD/X93V] FX The research at KAIST was supported by National Research Foundation of Korea under the Contract Nos. 4.0007357, N01110283, and the KINC grant at KAIST under the Contract No. N10110033. LANL authors acknowledge support from DOE, Office of Science, Office of Basic Energy Sciences, Division of Materials Science and Engineering. A.S.B. is supported by the Director, Los Alamos National Laboratory (LANL), under the Director's Postdoctoral Research Fellowship program (LDRD/X93V). NR 40 TC 20 Z9 20 U1 3 U2 36 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0884-2914 J9 J MATER RES JI J. Mater. Res. PD FEB PY 2012 VL 27 IS 3 BP 592 EP 598 DI 10.1557/jmr.2011.414 PG 7 WC Materials Science, Multidisciplinary SC Materials Science GA 886TT UT WOS:000299877500012 ER PT J AU Budiman, AS Han, SM Li, N Wei, QM Dickerson, P Tamura, N Kunz, M Misra, A AF Budiman, Arief Suriadi Han, Seung-Min Li, Nan Wei, Qiang-Min Dickerson, Patricia Tamura, Nobumichi Kunz, Martin Misra, Amit TI Plasticity in the nanoscale Cu/Nb single-crystal multilayers as revealed by synchrotron Laue x-ray microdiffraction SO JOURNAL OF MATERIALS RESEARCH LA English DT Article ID MECHANICAL-PROPERTIES; NANOLAYERED COMPOSITES; DEFORMATION MECHANISMS; SLIP; NANOSTRUCTURES; DIFFRACTION; FABRICATION AB There is much interest in the recent years in the nanoscale metallic multilayered composite materials due to their unusual mechanical properties, such as very high flow strength and stable plastic flow to large strains. These unique mechanical properties have been proposed to result from the interface-dominated plasticity mechanisms in nanoscale composite materials. Studying how the dislocation configurations and densities evolve during deformation will be crucial in understanding the yield, work hardening, and recovery mechanisms in the nanolayered materials. In an effort to shed light on these topics, uniaxial compression experiments on nanoscale Cu/Nb single-crystal multilayer pillars using ex situ synchrotron-based Laue x-ray microdiffraction technique were conducted. Using this approach, we studied the nanoscale Cu/Nb multilayer pillars before and after uniaxial compression to about 14% of plastic strain and found significant Laue peak broadening in the Cu phase, which indicates storage of statistically stored dislocations, while no significant Laue peak broadening was observed in the Nb phase in the nanoscale multilayers. These observations suggest that at 14% plastic strain of the nanolayered pillars, the deformation was dominated by plasticity in the Cu nanolayers and elasticity or possibly a zero net plasticity (due to the possibility of annihilation of interface dislocations) in the Nb nanolayers. C1 [Budiman, Arief Suriadi; Li, Nan; Wei, Qiang-Min; Dickerson, Patricia; Misra, Amit] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. [Han, Seung-Min] Stanford Univ, Dept Mat Sci & Engn, Stanford, CA 94305 USA. [Han, Seung-Min] Korea Adv Inst Sci & Technol, Grad Sch Energy Environm & Water Sustainabil, Taejon 305701, South Korea. [Tamura, Nobumichi; Kunz, Martin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Adv Light Source, Berkeley, CA 94720 USA. RP Budiman, AS (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, POB 1663, Los Alamos, NM 87545 USA. EM suriadi@alumni.stanford.edu RI Kunz, Martin/K-4491-2012; Han, Seung Min/C-1809-2011; Li, Nan /F-8459-2010; Misra, Amit/H-1087-2012 OI Kunz, Martin/0000-0001-9769-9900; Li, Nan /0000-0002-8248-9027; FU Office of Science, Office of Basic Energy Sciences, Materials Sciences Division of the U.S. Department of Energy at Lawrence Berkeley National Laboratory [DE-AC02-05CH11231]; University of California, Berkeley, California; NSF [0416243]; Los Alamos National Laboratory (LANL) [LDRD/X93V]; National Research Foundation of Korea [N01110283]; KINC at KAIST [N10110033]; Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences FX The authors gratefully acknowledge critical support and infrastructure provided for this work by the Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences. We thank R.G. Hoagland and J.P. Hirth for insightful discussions. W.D. Nix is gratefully acknowledged for his support in providing the nanomechanical testing facility at Stanford. The Advanced Light Source is supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences Division of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231 at Lawrence Berkeley National Laboratory and University of California, Berkeley, California. The move of the microdiffraction program from ALS beamline 7.3.3 onto to the ALS superbend source 12.3.2 was enabled through the NSF Grant No. 0416243. One of the authors (ASB) is supported by the Director, Los Alamos National Laboratory (LANL), under the Director's Postdoctoral Research Fellowship program (LDRD/X93V). The research at KAIST was supported by National Research Foundation of Korea under Contract N01110283 and the KINC grant at KAIST under Contract N10110033. NR 36 TC 19 Z9 19 U1 1 U2 37 PU CAMBRIDGE UNIV PRESS PI NEW YORK PA 32 AVENUE OF THE AMERICAS, NEW YORK, NY 10013-2473 USA SN 0884-2914 J9 J MATER RES JI J. Mater. Res. PD FEB PY 2012 VL 27 IS 3 BP 599 EP 611 DI 10.1557/jmr.2011.421 PG 13 WC Materials Science, Multidisciplinary SC Materials Science GA 886TT UT WOS:000299877500013 ER PT J AU Berg, MJ Wilson, KR Sorensen, CM Chakrabarti, A Ahmed, M AF Berg, Matthew J. Wilson, Kevin R. Sorensen, Christopher M. Chakrabarti, Amit Ahmed, Musahid TI Discrete dipole approximation for low-energy photoelectron emission from NaCl nanoparticles SO JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER LA English DT Article DE Electromagnetic scattering; Internal field; Photoemission; Nanoparticle; Nonspherical particle; Discrete dipole approximation ID PHOTOEMISSION; VACUUM AB This work presents a model for the photoemission of electrons from sodium chloride nanoparticles 50-500 nm in size, illuminated by vacuum ultraviolet light with energy ranging from 9.4 to 10.9 eV. The discrete dipole approximation is used to calculate the electromagnetic field inside the particles, from which the two-dimensional angular distribution of emitted electrons is simulated. The emission is found to favor the particle's geometrically illuminated side, and this asymmetry is compared to previous measurements performed at the Lawrence Berkeley National Laboratory. By modeling the nanoparticles as spheres, the Berkeley group is able to semi-quantitatively account for the observed asymmetry. Here however, the particles are modeled as cubes, which are closer to their actual shape, and the interaction of an emitted electron with the particle surface is also considered. The end result shows that the modeled emission asymmetry for these low-energy electrons is more sensitive to the interaction with the particle-surface than to the specific particle shape, i.e., a sphere or cube. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Berg, Matthew J.] Mississippi State Univ, Dept Phys & Astron, Mississippi State, MS 39762 USA. [Wilson, Kevin R.; Ahmed, Musahid] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA. [Sorensen, Christopher M.; Chakrabarti, Amit] Kansas State Univ, Dept Phys, Manhattan, KS 66506 USA. RP Berg, MJ (reprint author), Mississippi State Univ, Dept Phys & Astron, Mississippi State, MS 39762 USA. EM mberg81@gmail.com RI Ahmed, Musahid/A-8733-2009; Sorensen, Christopher/G-4900-2013 OI Sorensen, Christopher/0000-0002-1980-3394 FU NASA; Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the US Department of Energy [DE-AC02-05CH11231] FX We thank the Kansas State University electron microscope facility for the SEM images of the NaCl particles used in this work. We also thank two anonymous reviewers for their helpful comments. This work was partly supported by the NASA Graduate Student Researchers Program. K.R. Wilson and M. Ahmed are supported by the Director, Office of Energy Research, Office of Basic Energy Sciences, Chemical Sciences Division of the US Department of Energy under Contract no. DE-AC02-05CH11231. NR 16 TC 7 Z9 7 U1 1 U2 20 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0022-4073 J9 J QUANT SPECTROSC RA JI J. Quant. Spectrosc. Radiat. Transf. PD FEB PY 2012 VL 113 IS 3 BP 259 EP 265 DI 10.1016/j.jqsrt.2011.10.007 PG 7 WC Optics; Spectroscopy SC Optics; Spectroscopy GA 896SK UT WOS:000300591500007 ER PT J AU Jen, KY Mao, JH Balmain, A AF Jen, K-Y Mao, J-H Balmain, A. TI Sequential Mutations in Notch1 and Fbxw7 in Radiation-Induced Mouse Thymic Lymphomas SO LABORATORY INVESTIGATION LA English DT Meeting Abstract CT 101st Annual Meeting of the United-States-and-Canadian-Academy-of-Pathology (USCAP) CY MAR 17-23, 2012 CL Vancouver, CANADA SP US & Canadian Acad Pathol (USCAP) C1 Univ Calif San Francisco, San Francisco, CA 94143 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 0 U2 0 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 0023-6837 J9 LAB INVEST JI Lab. Invest. PD FEB PY 2012 VL 92 SU 1 MA 1443 BP 344A EP 345A PG 2 WC Medicine, Research & Experimental; Pathology SC Research & Experimental Medicine; Pathology GA 885SA UT WOS:000299799901720 ER PT J AU Ngan, W Harnois-Deraps, J Pen, UL McDonald, P MacDonald, I AF Ngan, W. Harnois-Deraps, J. Pen, U. -L. McDonald, P. MacDonald, I. TI Non-Gaussian errors of baryonic acoustic oscillations SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE methods: statistical; cosmology: observations; dark energy; distance scale; large-scale structure of Universe ID MATTER POWER SPECTRUM; GALAXY REDSHIFT SURVEYS; DARK ENERGY; INFORMATION-CONTENT; SCALE; SAMPLE; MODEL; PEAK AB We revisit the uncertainty in baryon acoustic oscillation (BAO) forecasts and data analyses. In particular, we study how much the uncertainties on both the measured mean dilation scale and the associated error bar are affected by the non-Gaussianity of the non-linear density field. We examine two possible impacts of non-Gaussian analysis. (1) We derive the distance estimators from Gaussian theory, but use 1000 N-body simulations to measure the actual errors, and compare this to the Gaussian prediction. (2) We compute new optimal estimators, which requires the inverse of the non-Gaussian covariance matrix of the matter power spectrum. Obtaining an accurate and precise inversion is challenging, and we opted for a noise reduction technique applied on the covariance matrices. By measuring the bootstrap error on the inverted matrix, this work quantifies for the first time the significance of the non-Gaussian error corrections on the BAO dilation scale. We find that the variance (error squared) on distance measurements can deviate by up to 12 per cent between both estimators, an effect that requires a large number of simulations to be resolved. We next apply a reconstruction algorithm to recover some of the BAO signal that had been smeared by non-linear evolution, and we rerun the analysis. We find that after reconstruction, the rms error on the distance measurement improves by a factor of similar to 1.7 at low redshift (consistent with previous results), and the variance (s2) shows a change of up to 18 per cent between optimal and sub-optimal cases (note, however, that these discrepancies may depend in detail on the procedure used to isolate the BAO signal). We finally discuss the impact of this work on current data analyses. C1 [Ngan, W.; MacDonald, I.] Univ Toronto, Dept Astron & Astrophys, Toronto, ON M5S 3H4, Canada. [Harnois-Deraps, J.; Pen, U. -L.; MacDonald, I.] Canadian Inst Theoret Astrophys, Toronto, ON M5S 3H8, Canada. [Harnois-Deraps, J.] Univ Toronto, Dept Phys, Toronto, ON M5S 1A7, Canada. [McDonald, P.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [McDonald, P.] Brookhaven Natl Lab, Upton, NY 11375 USA. RP Ngan, W (reprint author), Univ Toronto, Dept Astron & Astrophys, 50 St George St, Toronto, ON M5S 3H4, Canada. EM ngan@astro.utoronto.ca; jharno@cita.utoronto.ca; pen@cita.utoronto.ca; pvmcdonald@lbl.gov; macdon-ald@astro.utoronto.ca OI McDonald, Patrick/0000-0001-8346-8394 FU NSERC FX The authors thank Kiyoshi Masui for valuable help and advice, and acknowledge NSERC for their financial support. The simulations in this work were produced on the Sunnyvale cluster at CITA. NR 42 TC 16 Z9 16 U1 0 U2 0 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD FEB PY 2012 VL 419 IS 4 BP 2949 EP 2960 DI 10.1111/j.1365-2966.2011.19936.x PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 873XZ UT WOS:000298920600017 ER PT J AU Tan, MYJ Biswas, R AF Tan, M. Y. J. Biswas, Rahul TI The reliability of the Akaike information criterion method in cosmological model selection SO MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY LA English DT Article DE methods: data analysis; methods: statistical; cosmology: theory ID HUBBLE-SPACE-TELESCOPE; ESSENCE SUPERNOVA SURVEY; DARK ENERGY CONSTRAINTS; LIGHT CURVES; PARAMETERS; INFERENCE; UNIVERSE; SKY; OMEGA(LAMBDA); PROBABILITY AB The Akaike information criterion (AIC) has been used as a statistical criterion to compare the appropriateness of different dark energy candidate models underlying a particular data set. Under suitable conditions, the AIC is an indirect estimate of the KullbackLeibler divergence D(T?A) of a candidate model A with respect to the truth T. Thus, a dark energy model with a smaller AIC is ranked as a better model, since it has a smaller KullbackLeibler discrepancy with T. In this paper, we explore the impact of statistical errors in estimating the AIC during model comparison. Using a parametric bootstrap technique, we study the distribution of AIC differences between a set of candidate models due to different realizations of noise in the data and show that the shape and spread of this distribution can be quite varied. We also study the rate of success of the AIC procedure for different values of a threshold parameter popularly used in the literature. For plausible choices of true dark energy models, our studies suggest that investigating such distributions of AIC differences in addition to the threshold is useful in correctly interpreting comparisons of dark energy models using the AIC technique. C1 [Tan, M. Y. J.; Biswas, Rahul] Univ Illinois, Dept Phys, Urbana, IL 61801 USA. [Biswas, Rahul] Argonne Natl Lab, Div High Energy Phys, Argonne, IL 60439 USA. RP Tan, MYJ (reprint author), Univ Illinois, Dept Phys, 1110 W Green St, Urbana, IL 61801 USA. EM mjtan2@illinois.edu FU NSF AST [07-08849, 09-08693 ARRA]; Argonne National Laboratory; U.S. Department of Energy, Office of Science [DE-AC02-06CH11357] FX We would like to thank Yoshi Oono for checking the manuscript and providing many insights into the nature of AIC and the bootstrap technique. MYJT was funded in part by Yoshi Oono. During the course of this work, RB was partially supported by NSF AST 07-08849 and NSF AST 09-08693 ARRA and then by Argonne National Laboratory, operated by UChicago Argonne, LLC. Work at Argonne was supported by U.S. Department of Energy, Office of Science under contract DE-AC02-06CH11357. Finally, we would like to express gratitude to the anonymous reviewer whose input substantially improved the tone and direction of this paper. NR 56 TC 11 Z9 11 U1 0 U2 1 PU OXFORD UNIV PRESS PI OXFORD PA GREAT CLARENDON ST, OXFORD OX2 6DP, ENGLAND SN 0035-8711 EI 1365-2966 J9 MON NOT R ASTRON SOC JI Mon. Not. Roy. Astron. Soc. PD FEB PY 2012 VL 419 IS 4 BP 3292 EP 3303 DI 10.1111/j.1365-2966.2011.19969.x PG 12 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 873XZ UT WOS:000298920600042 ER PT J AU Pederson, MR AF Pederson, Mark R. TI Density-functional-based prediction of a spin-ordered open-shell singlet in an unpassivated graphene nanofilm SO PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS LA English DT Article DE DFT; fullerenes; singlet graphene; spin excitations; vibrational spectra ID GENERALIZED GRADIENT APPROXIMATION; ELECTRONIC-STRUCTURE; MAGNETIC-ANISOTROPY; MOLECULES; SIMULATIONS; TRANSITION; ACCURACY; CLUSTERS; SYSTEMS; FORCES AB I briefly review some of the methods, developed at the Naval Research Laboratory, that were used in a variety of collaborations with the Frauenheim group. To aid experimental understanding at that time, we attempted to predict equilibrium structures and also provide calculated vibrational spectra for direct comparison to experimental measurements. Most of our work was on carbon-based systems with a heavy focus on fullerenes and diamond. More recently another pure carbon compound, graphene, has received much attention. In this paper, I present applications of density-functional-based spectroscopic techniques to a single graphene nanofilm and confirm that spin polarization can occur at the edge states. However, antiferromagnetic ordering is preferred over ferro-magnetic ordering. By extracting a Heisenberg Hamiltonian from the calculations the energy of the various spin multiplets can be estimated through diagonalization of this Hamiltonian. The Perdew-Burke-Ernzerhof-density-functional theory (PBE-DFT) results indicate that both antiferromagnetic and ferromagnetic graphene structures are vibrationally stable but that the lowest-energy eigenstate of the system is an open-shell singlet with a gap of approximately 14 cm(-1) to the open-shell triplet state. Consistent with recent work that stabilizes graphene nanofilms via adsorption onto metal surfaces the density functional results presented here show that small graphene nanofilms, while vibrationally stable, will exothermically form previously identified fullerene structures. Vibrational excitation spectra for the 54-atom graphene and fullerene structures are calculated to provide spectroscopic means for distinguishing between the two structures. C1 US DOE, Off Basic Energy Sci, Washington, DC 20585 USA. RP Pederson, MR (reprint author), US DOE, Off Basic Energy Sci, SC22-1, Washington, DC 20585 USA. EM mark.pederson@science.doe.gov FU Office of Naval Research; National Science Foundation including an NSF-DAAD FX Computations performed in this work were accomplished through an allocation from the National Energy Research Scientific Computing Center. Development of the methods used for this work were supported in part by the Office of Naval Research and the National Science Foundation including an NSF-DAAD grant that specifically supported the interactions with the Frauenheim group. M. R. P. thanks D. A. Papaconstantopolous, L. Economou, and Xianwei Sha for interesting discussions on other aspects of graphene. The discussion and results reported here are personal scientific views of the author and are not necessarily representative of priorities of any government agency. NR 64 TC 0 Z9 0 U1 1 U2 28 PU WILEY-V C H VERLAG GMBH PI WEINHEIM PA BOSCHSTRASSE 12, D-69469 WEINHEIM, GERMANY SN 0370-1972 J9 PHYS STATUS SOLIDI B JI Phys. Status Solidi B-Basic Solid State Phys. PD FEB PY 2012 VL 249 IS 2 BP 283 EP 291 DI 10.1002/pssb.201100796 PG 9 WC Physics, Condensed Matter SC Physics GA 897XV UT WOS:000300696000008 ER PT J AU Zweben, SJ Terry, JL Agostini, M Hager, R Hughes, JW Myra, JR Pace, DC AF Zweben, S. J. Terry, J. L. Agostini, M. Hager, R. Hughes, J. W. Myra, J. R. Pace, D. C. CA Alcator C-Mod Grp TI Search for zonal flows in the edge turbulence of Alcator C-Mod SO PLASMA PHYSICS AND CONTROLLED FUSION LA English DT Article ID GEODESIC-ACOUSTIC-MODE; PUFF IMAGING EXPERIMENTS; DIII-D TOKAMAK; OFF-LAYER; TRANSPORT; PLASMAS; OSCILLATIONS AB The time-dependent radial and poloidal velocity of edge turbulence is evaluated using a 2D time-delayed cross-correlation analysis of fast camera data from the gas puff imaging (GPI) diagnostic viewing the outer midplane region in Alcator C-Mod. The local poloidal velocity fluctuations are averaged over the poloidal viewing region of the GPI diagnostic and radially resolved over +/- 2 cm around the separatrix. The resulting poloidal velocity usually has a broadband frequency spectrum in the range similar to 1-20 kHz, and a radial correlation width which decreases with increasing line-averaged density. In some cases with ICRH heating there was also a coherent poloidal velocity oscillation at 6-7 kHz which was highly correlated with a poloidal magnetic field oscillation at the same frequency. Some of these results are similar to the geodesic acoustic modes and/or zonal flows described in previous experiments and theory. C1 [Zweben, S. J.] Princeton Plasma Phys Lab, Princeton, NJ 08540 USA. [Terry, J. L.; Hughes, J. W.] MIT, Cambridge, MA 02139 USA. [Agostini, M.] EURATOM, Consorzio RFX, I-35127 Padua, Italy. [Hager, R.] Max Planck Inst Plasma Phys, D-85748 Garching, Germany. [Myra, J. R.] Lodestar Res Corp, Boulder, CO 80301 USA. [Pace, D. C.] ORISE, Oak Ridge, TN 37831 USA. RP Zweben, SJ (reprint author), Princeton Plasma Phys Lab, Princeton, NJ 08540 USA. EM szweben@pppl.gov OI AGOSTINI, MATTEO/0000-0002-3823-1002; Hager, Robert/0000-0002-4624-3150 FU US DOE [DE-AC02-09CH11466, DE-FC02-99ER5412] FX The authors thank B Davis, D D'Ippolito, P Diamond, T Golfionopoulos, O Grulke, K Hallatschek, T S Hahm, B LaBombard, D Russell, D Stotler, G Tynan, S Wolfe and Alcator C-Mod Team for their contributions or comments. This work was supported in part by US DOE Contracts DE-AC02-09CH11466 and DE-FC02-99ER5412. NR 52 TC 13 Z9 13 U1 3 U2 14 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0741-3335 J9 PLASMA PHYS CONTR F JI Plasma Phys. Control. Fusion PD FEB PY 2012 VL 54 IS 2 AR 025008 DI 10.1088/0741-3335/54/2/025008 PG 21 WC Physics, Fluids & Plasmas SC Physics GA 897DT UT WOS:000300624400008 ER PT J AU Leung, B Sun, Q Yerino, CD Han, J Coltrin, ME AF Leung, Benjamin Sun, Qian Yerino, Christopher D. Han, Jung Coltrin, Michael E. TI Using the kinetic Wulff plot to design and control nonpolar and semipolar GaN heteroepitaxy SO SEMICONDUCTOR SCIENCE AND TECHNOLOGY LA English DT Article ID LIGHT-EMITTING-DIODES; VAPOR-PHASE EPITAXY; GALLIUM NITRIDE FILMS; R-PLANE SAPPHIRE; A-PLANE; DEFECT REDUCTION; LATERAL OVERGROWTH; CRYSTAL-SURFACES; SELECTIVE MOVPE; GROWTH AB For nonpolar and semipolar orientations of GaN heteroepitaxially grown on sapphire substrates, the development of growth procedures to improve surface morphology and microstructure has been driven in a largely empirical way. This work attempts to comprehensively link the intrinsic properties of GaN faceted growth, across orientations, in order to understand, design and control growth methods for nonpolar (1 1 2 0) GaN and semipolar (1 1 2 2) GaN on foreign substrates. This is done by constructing a comprehensive series of kinetic Wulff plots (or v-plots) by monitoring the advances of convex and concave facets in selective area growth. A methodology is developed to apply the experimentally determined v-plots to the interpretation and design of evolution dynamics in nucleation and island coalescence. This methodology offers a cohesive and rational model for GaN heteroepitaxy along polar, nonpolar and semipolar orientations, and is broadly extensible to the heteroepitaxy of other materials. We demonstrate furthermore that the control of morphological evolution, based on invoking a detailed knowledge of the v-plots, holds a key to the reduction of microstructural defects through effective bending of dislocations and blocking of stacking faults. The status and outlook of semipolar and nonpolar GaN growth on sapphire substrates will be presented. C1 [Leung, Benjamin; Sun, Qian; Yerino, Christopher D.; Han, Jung] Yale Univ, Dept Elect Engn, New Haven, CT 06520 USA. [Coltrin, Michael E.] Sandia Natl Labs, Adv Mat Sci Dept, Albuquerque, NM 87185 USA. RP Leung, B (reprint author), Yale Univ, Dept Elect Engn, New Haven, CT 06520 USA. EM jung.han@yale.edu RI Sun, Qian/D-4052-2009; Leung, Benjamin/H-1728-2013 FU US Department of Energy Office of Basic Energy Sciences [DE-SC0001134]; US Department of Energy Office of Science; Department of Energy's Solid-State Lighting Science Energy Frontier Research Center; US Department of Energy's National Nuclear Security Administration [DE-AC04-94AL85000] FX The authors would like to acknowledge the financial support from the US Department of Energy Office of Basic Energy Sciences under contract no DE-SC0001134. CDY gratefully acknowledges the support from the US Department of Energy Office of Science Graduate Fellowship. The work performed at Sandia National Laboratories was supported by the Department of Energy's Solid-State Lighting Science Energy Frontier Research Center. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin, for the US Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. The authors thank B H Kong and H K Cho for their help with the TEM measurements, and T-S Ko, D Y Moon and E Yoon for CL measurements. NR 76 TC 28 Z9 28 U1 6 U2 76 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0268-1242 J9 SEMICOND SCI TECH JI Semicond. Sci. Technol. PD FEB PY 2012 VL 27 IS 2 AR 024005 DI 10.1088/0268-1242/27/2/024005 PG 12 WC Engineering, Electrical & Electronic; Materials Science, Multidisciplinary; Physics, Condensed Matter SC Engineering; Materials Science; Physics GA 897IE UT WOS:000300641800006 ER PT J AU Schryver, J Nutaro, J Haire, MJ AF Schryver, J. Nutaro, J. Haire, M. J. TI Metrics for availability analysis using a discrete event simulation method SO SIMULATION MODELLING PRACTICE AND THEORY LA English DT Article DE Availability; Discrete event simulation; Output analysis AB The system performance metric "availability" is a central concept with respect to the concerns of a plant's operators and owners, yet it can be abstract enough to resist explanation at system levels. Hence, there is a need for a system-level metric more closely aligned with a plant's (or, more generally, a system's) raison d'etre. Historically, availability of repairable systems - intrinsic, operational, or otherwise - has been defined as a ratio of times. This paper introduces a new concept of availability, called endogenous availability, defined in terms of a ratio of quantities of product yield. Endogenous availability can be evaluated using a discrete event simulation analysis methodology. A simulation example shows that endogenous availability reduces to conventional availability in a simple series system with different processing rates and without intermediate storage capacity, but diverges from conventional availability when storage capacity is progressively increased. It is shown that conventional availability tends to be conservative when a design includes features, such as in - process storage, that partially decouple the components of a larger system. Published by Elsevier B.V. C1 [Schryver, J.; Nutaro, J.; Haire, M. J.] Oak Ridge Natl Lab, Oak Ridge, TN USA. RP Nutaro, J (reprint author), Oak Ridge Natl Lab, Oak Ridge, TN USA. EM schryverjc@ornl.gov; nutarojj@ornl.gov; hairemj@ornl.gov OI Nutaro, James/0000-0001-7360-2836 FU US Department of Energy [DE-AC05-00OR22725] FX This manuscript has been authored by UT-Battelle, LLC, under Contract No. DE-AC05-00OR22725 with the US Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges NR 12 TC 3 Z9 3 U1 1 U2 1 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 1569-190X J9 SIMUL MODEL PRACT TH JI Simul. Model. Pract. Theory PD FEB PY 2012 VL 21 IS 1 BP 114 EP 122 DI 10.1016/j.simpat.2011.10.004 PG 9 WC Computer Science, Interdisciplinary Applications; Computer Science, Software Engineering SC Computer Science GA 896TM UT WOS:000300594300010 ER PT J AU Hagaman, EW Chen, BH Jiao, J Parsons, W AF Hagaman, Edward W. Chen, Banghao Jiao, Jian Parsons, William TI Solid-state O-17 NMR study of benzoic acid adsorption on metal oxide surfaces SO SOLID STATE NUCLEAR MAGNETIC RESONANCE LA English DT Article DE O-17 MAS NMR; O-17 MQMAS NMR; Alumina; Titania; Mesoporous silica; Anatase; Rutile; Adsorption; Surface reaction with benzoic acid; Quadrupole coupling constants ID HYDROGEN-BOND; MOLECULAR-STRUCTURE; CRYSTAL-STRUCTURE; PROTON-TRANSFER; METHOXYBENZOIC ACID; MESOPOROUS SILICA; ANISIC ACID; DYNAMICS; DIMERS; SPECTROSCOPY AB Solid-state O-17 NMR spectra of O-17-labeled benzoic and anisic acids are reported and benzoic acid is used to probe the surface of metal oxides. Complexes formed when benzoic acid is dry mixed with mesoporous silica, and nonporous titania and alumina are characterized. Chemical reactions with silica are not observed. The nature of benzoic acid on silica is a function of the water content of the oxide. The acid disperses in the pores of the silica if the silica is in equilibrium with ambient laboratory humidity. The acid displays high mobility as evidenced by a liquid-like. Lorentzian resonance. Excess benzoic acid remains as the crystalline hydrogen-bonded dimer. Benzoic acid reacts with titania and alumina surfaces in equilibrium with laboratory air to form the corresponding titanium and aluminum benzoates. In both materials the oxygen of the O-17-labeled acid is bound to the metal, showing the reaction proceeds by bond formation between oxygen deficient metal sites and the oxygen of the carboxylic acid. Al-27 MAS NMR confirms this mechanism for the reaction on alumina. Dry mixing of benzoic acid with alumina rapidly quenches pentacoordinate aluminum sites, excellent evidence that these sites are confined to the surface of the alumina particles. (C) 2011 Elsevier Inc. All rights reserved. C1 [Hagaman, Edward W.; Chen, Banghao; Jiao, Jian; Parsons, William] Oak Ridge Natl Lab, Div Chem Sci, Oak Ridge, TN 37831 USA. RP Hagaman, EW (reprint author), Oak Ridge Natl Lab, Div Chem Sci, POB 2008, Oak Ridge, TN 37831 USA. EM hagamanew@ornl.gov OI Parsons, William/0000-0001-6065-2340 FU Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, US Department of Energy; Department of Energy FX Research sponsored by the Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences, US Department of Energy.; William Parsons was an undergraduate summer intern from Williams College as part of the Science Education Laboratory Internships (SULI) program sponsored by the Department of Energy. NR 52 TC 12 Z9 12 U1 1 U2 47 PU ACADEMIC PRESS INC ELSEVIER SCIENCE PI SAN DIEGO PA 525 B ST, STE 1900, SAN DIEGO, CA 92101-4495 USA SN 0926-2040 EI 1527-3326 J9 SOLID STATE NUCL MAG JI Solid State Nucl. Magn. Reson. PD FEB PY 2012 VL 41 BP 60 EP 67 DI 10.1016/j.ssnmr.2011.12.001 PG 8 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical; Physics, Condensed Matter; Spectroscopy SC Chemistry; Physics; Spectroscopy GA 895VF UT WOS:000300524100005 PM 22245610 ER PT J AU Ophus, C Ewalds, T AF Ophus, Colin Ewalds, Timo TI Guidelines for quantitative reconstruction of complex exit waves in HRTEM SO ULTRAMICROSCOPY LA English DT Article DE Transmission electron microscopy; Phase retrieval; Algorithm convergence; Iterative wave reconstruction ID ATOMIC-RESOLUTION; PHASE AB We have used a simple analytic model of iterative wave reconstruction from HRTEM focal series to derive reconstruction guidelines. We find that the reconstruction must be padded and that samples with varying thicknesses over the field of view can require a very large number of iterations to correctly converge. We also consider the effect of a detector modulation transfer function, noise and an incorrect estimate on focal plane spacing on iterative wave reconstruction. We have used multislice simulations in 1D and 2D and developed a high-speed, parallelized implementation of exit wave reconstruction to validate our analytic model and demonstrate why convergence is required for quantitative sample thickness measurements. (C) 2011 Elsevier B.V. All rights reserved. C1 [Ophus, Colin] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [Ewalds, Timo] Univ Alberta, Dept Comp Sci, Edmonton, AB, Canada. RP Ophus, C (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. EM clophus@lbl.gov RI Ophus, Colin/H-2350-2013; OI Ophus, Colin/0000-0003-2348-8558 FU Natural Sciences and Engineering Research Council of Canada FX We would like to thank Martin Linck, Bastian Barton, Peter Ercius, Abhay Gautam, Ulrich Dahmen and Roar Kilaas for useful discussions, and Velimir Radmilovic for motivating this work. CO would like to acknowledge the financial support of the Natural Sciences and Engineering Research Council of Canada. NR 13 TC 7 Z9 7 U1 0 U2 14 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-3991 J9 ULTRAMICROSCOPY JI Ultramicroscopy PD FEB PY 2012 VL 113 BP 88 EP 95 DI 10.1016/j.ultramic.2011.10.016 PG 8 WC Microscopy SC Microscopy GA 896GT UT WOS:000300554400003 ER PT J AU Watanabe, M Allen, FI AF Watanabe, Masashi Allen, Frances I. TI The SmartEFTEM-SI method: Development of a new spectrum-imaging acquisition scheme for quantitative mapping by energy-filtering transmission electron microscopy SO ULTRAMICROSCOPY LA English DT Article DE CCD dark-current correction; Spatial-drift correction; Multiple-frame acquisition; EFTEM-SI spectral processing; EELS quantification ID BIOLOGICAL SPECIMENS; SERIES; SPECTROSCOPY; IMAGES; TEM; SEQUENCES; POLYMERS; CAMERAS; SENSOR; EELS AB A new acquisition scheme for energy-filtering transmission electron microscopy (EFTEM) spectrum-imaging (SI), named SmartEFTEM-SI, has been developed. The new method reduces the influence of CCD dark-current modulations on energy-filtered images and enables improved spatial-drift correction. In conventional EFTEM approaches, elemental maps are significantly degraded especially when these issues are not addressed. The new scheme also offers multiple-frame acquisition at individual energy planes, and the acquisition of a low-loss SI dataset immediately following the high-loss SI dataset recorded for a particular characteristic edge, enabling advanced spectral processing such as multiple-scattering deconvolution and thickness correction. After spectral processing of the high-loss SI datasets using the corresponding low-loss information, the absolute number of atoms of the particular element of interest can be determined. The SmartEFTEM-SI method thus offers absolute elemental quantification of a thin specimen over a large field of view. (C) 2011 Elsevier B.V. All rights reserved. C1 [Watanabe, Masashi] Lehigh Univ, Dept Mat Sci & Engn, Bethlehem, PA 18015 USA. [Allen, Frances I.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Natl Ctr Electron Microscopy, Berkeley, CA 94720 USA. [Allen, Frances I.] Univ Calif Berkeley, Dept Mat Sci & Engn, Berkeley, CA 94720 USA. RP Watanabe, M (reprint author), Lehigh Univ, Dept Mat Sci & Engn, 5 E Packer Ave, Bethlehem, PA 18015 USA. EM masashi.watanabe@lehigh.edu FU NSF [DMR-0804528, DMR-1040229]; Office of Science, Office of Basic Energy Sciences, Scientific User Facilities Division, of the U.S. Department of Energy [DE-AC02-05CH11231]; Office of Science, Office of Basic Energy Sciences, Materials Sciences, and Engineering Division, of the U.S. Department of Energy [DE-AC02-05CH11231] FX The author (MW) wishes to acknowledge financial support from the NSF through grants DMR-0804528 and DMR-1040229. The experiments in Case Study 3 were performed at the National Center for Electron Microscopy, Lawrence Berkeley National Laboratory, which is supported by the Office of Science, Office of Basic Energy Sciences, Scientific User Facilities Division, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. FIA wishes to acknowledge financial support provided through the Electron Microscopy of Soft Matter Program supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences, and Engineering Division, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. NR 42 TC 5 Z9 5 U1 2 U2 23 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0304-3991 EI 1879-2723 J9 ULTRAMICROSCOPY JI Ultramicroscopy PD FEB PY 2012 VL 113 BP 106 EP 119 DI 10.1016/j.ultramic.2011.10.014 PG 14 WC Microscopy SC Microscopy GA 896GT UT WOS:000300554400005 ER PT J AU Neelamegam, R Ricq, EL Malvaez, M Patnaik, D Norton, S Carlin, SM Hill, IT Wood, MA Haggarty, SJ Hooker, JM AF Neelamegam, Ramesh Ricq, Emily L. Malvaez, Melissa Patnaik, Debasis Norton, Stephanie Carlin, Stephen M. Hill, Ian T. Wood, Marcelo A. Haggarty, Stephen J. Hooker, Jacob M. TI Brain-Penetrant LSD1 Inhibitors Can Block Memory Consolidation SO ACS CHEMICAL NEUROSCIENCE LA English DT Article DE LSD1; mechanism-based inhibitors; histone demethylase; epigenetics; brain ID HISTONE DEMETHYLASE LSD1; LYSINE-SPECIFIC DEMETHYLASE-1; LONG-TERM-MEMORY; MECHANISM-BASED INACTIVATOR; STRUCTURAL BASIS; CHROMATIN MODIFICATIONS; SILENCED GENES; TRANS-2-PHENYLCYCLOPROPYLAMINE; RECOGNITION; ANALOGS AB Modulation of histone modifications in the brain may represent a new mechanism for brain disorder therapy. Post-translational modifications of histones regulate gene expression, affecting major cellular processes such as proliferation, differentiation, and function. An important enzyme involved in one of these histone modifications is lysine specific demethylase 1 (LSD1). This enzyme is flavin-dependent and exhibits homology to amine oxidases. Parnate 8 (2-phenylcyclopropylamine (2-PCPA); tranylcypromine) is a potent inhibitor of monoamine oxidases, and derivatives of 2-PCPA have been used for development of selective LSD1 inhibitors based on the ability to form covalent adducts with flavin adenine dinucleotide (FAD). Here we report the synthesis and in vitro characterization of LSD1 inhibitors that bond covalently to FAD. The two most potent and selective inhibitors were used to demonstrate brain penetration when administered systemically to rodents. First, radiosynthesis of a positron-emitting analogue was used to obtain preliminary biodistribution data and whole brain time-activity curves. Second, we demonstrate that this series of LSD1 inhibitors is capable of producing a cognitive effect in a mouse model. By using a memory formation paradigm, novel object recognition, we show that LSD1 inhibition can abolish long-term memory formation without affecting short-term memory, providing further evidence for the importance of reversible histone methylation in the function of the nervous system. C1 [Neelamegam, Ramesh; Ricq, Emily L.; Carlin, Stephen M.; Hill, Ian T.; Hooker, Jacob M.] Harvard Univ, Sch Med, Athinoula A Martinos Ctr Biomed Imaging, Massachusetts Gen Hosp,Dept Radiol, Charlestown, MA 02129 USA. [Ricq, Emily L.] Harvard Univ, Dept Chem & Chem Biol, Cambridge, MA 02138 USA. [Ricq, Emily L.; Patnaik, Debasis; Norton, Stephanie; Haggarty, Stephen J.] Harvard Univ, Sch Med, Massachusetts Gen Hosp, Ctr Human Genet Res,Dept Neurol, Boston, MA 02114 USA. [Haggarty, Stephen J.] Broad Inst Harvard & MIT, Stanley Ctr Psychiat Res, Cambridge, MA 02142 USA. [Malvaez, Melissa; Wood, Marcelo A.] Univ Calif Irvine, Dept Neurobiol & Behav, Ctr Neurobiol Learning & Memory, Irvine, CA 92697 USA. [Hooker, Jacob M.] Brookhaven Natl Lab, Upton, NY 11973 USA. RP Hooker, JM (reprint author), Harvard Univ, Sch Med, Athinoula A Martinos Ctr Biomed Imaging, Massachusetts Gen Hosp,Dept Radiol, Bldg 149,13th St,Suite 2301, Charlestown, MA 02129 USA. EM haggarty@chgr.mgh.harvard.edu; hooker@nmr.mgh.harvard.edu RI Wood, Marcelo/G-9527-2012; Patnaik, Debasis/A-9752-2016; OI Patnaik, Debasis/0000-0002-9829-3352; Hooker, Jacob/0000-0002-9394-7708; Haggarty, Stephen J./0000-0002-7872-168X FU National Institutes of Health [R01DA028301, 1P30DA028800]; National Institute on Drug Abuse [R01DA028301, 1P30DA028800]; Stanley Medical Research Institute FX This research was supported by the National Institutes of Health Grants R01DA028301 and 1P30DA028800. The project described was supported in part by Award Number R01DA028301 (S.J.H.) and 1P30DA028800 (J.M.H.) from the National Institute on Drug Abuse. S.J.H. is also supported by the Stanley Medical Research Institute. NR 56 TC 51 Z9 52 U1 0 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1948-7193 J9 ACS CHEM NEUROSCI JI ACS Chem. Neurosci. PD FEB PY 2012 VL 3 IS 2 BP 120 EP 128 DI 10.1021/cn200104y PG 9 WC Biochemistry & Molecular Biology; Chemistry, Medicinal; Neurosciences SC Biochemistry & Molecular Biology; Pharmacology & Pharmacy; Neurosciences & Neurology GA 894YV UT WOS:000300464300006 PM 22754608 ER PT J AU Brisard, S Chae, RS Bihannic, I Michot, L Guttmann, P Thieme, J Schneider, G Monteiro, PJM Levitz, P AF Brisard, Sebastien Chae, Rosie S. Bihannic, Isabelle Michot, Laurent Guttmann, Peter Thieme, Juergen Schneider, Gerd Monteiro, Paulo J. M. Levitz, Pierre TI Morphological quantification of hierarchical geomaterials by X-ray nano-CT bridges the gap from nano to micro length scales SO AMERICAN MINERALOGIST LA English DT Article DE New technique; X-ray nanotomography; clay suspension; cement pastes ID CEMENT; MICROSTRUCTURE; SCATTERING; SILICATE AB Morphological quantification of the complex structure of hierarchical geomaterials is of great relevance for Earth science and environmental engineering, among others. To date, methods that quantify the 3D morphology on length scales ranging from a few tens of nanometers to several hundred nanometers have had limited success. We demonstrate, for the first time, that it is possible to go beyond visualization and to extract quantitative morphological information from X-ray images in the aforementioned length scales. As examples, two different hierarchical geomaterials exhibiting complex porous structures ranging from nanometer to macroscopic scale are studied: a flocculated clay water suspension and two hydrated cement pastes. We show that from a single projection image it is possible to perform a direct computation of the ultra-small angle-scattering spectra. The predictions matched very well the experimental data obtained by the best ultra-small angle-scattering experimental setups as observed for the cement paste. In this context, we demonstrate that the structure of flocculated clay suspension exhibit two well-distinct regimes of aggregation, a dense mass fractal aggregation at short distance and a more open structure at large distance, which can be generated by a 3D reaction limited cluster-cluster aggregation process. For the first time, a high-resolution 3D image of fibrillar cement paste cluster was obtained from limited angle nanotomography. C1 [Brisard, Sebastien] IFSTTAR, Dept MACS, F-75732 Paris, France. [Chae, Rosie S.; Monteiro, Paulo J. M.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Bihannic, Isabelle; Michot, Laurent] Nancy Univ, CNRS, Lab Environm & Mineralurgie, F-54501 Vandoeuvre Les Nancy, France. [Guttmann, Peter; Schneider, Gerd] Helmholtz Zentrum Mat & Energie GmbH, Electron Storage Ring BESSY 2, D-12489 Berlin, Germany. [Thieme, Juergen] Brookhaven Natl Lab, Upton, NY 11973 USA. [Levitz, Pierre] Univ Paris 06, CNRS, Lab PECSA, F-75252 Paris, France. RP Brisard, S (reprint author), IFSTTAR, Dept MACS, 58 Blvd Lefebvre, F-75732 Paris, France. EM pierre.levitz@upmc.fr RI Bihannic, Isabelle/D-5793-2012; Thieme, Juergen/D-6814-2013; Guttmann, Peter/H-9869-2015 OI Bihannic, Isabelle/0000-0001-9780-2509; Guttmann, Peter/0000-0002-0534-238X FU ANR; CNRS-CPR, King Abdullah University of Science and Technology (KAUST) [KUS-11-004021] FX This publication was based on work supported in part by ANR program M POMODIM, the CNRS-CPR "Porosity, transport, and resistance" program and Award No. KUS-11-004021, made by King Abdullah University of Science and Technology (KAUST). We thank M. Thiery and V. Baroghel-Bouny at IFFSTAR (Paris) for providing the two-year-old cement paste. Small-angle and wide-angle X-ray scattering experiments were carried out on beamline A2 at Hasylab (flocculated clays) and at SOLEIL on beamline SWING (cement paste). This work is dedicated to the memory of Olivier Coussy (1952-2010). NR 16 TC 27 Z9 27 U1 2 U2 34 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 FEB-MAR PY 2012 VL 97 IS 2-3 BP 480 EP 483 DI 10.2138/am.2012.3985 PG 4 WC Geochemistry & Geophysics; Mineralogy SC Geochemistry & Geophysics; Mineralogy GA 891ID UT WOS:000300209500026 ER PT J AU Ma, CB Yeung, ES Qi, SD Han, R AF Ma, Changbei Yeung, Edward S. Qi, Shengda Han, Rui TI Highly sensitive detection of microRNA by chemiluminescence based on enzymatic polymerization SO ANALYTICAL AND BIOANALYTICAL CHEMISTRY LA English DT Article DE MicroRNA; Chemiluminescence; Array ID ROLLING-CIRCLE AMPLIFICATION; GENE-EXPRESSION; CAPILLARY-ELECTROPHORESIS; RNA; MICROARRAY; SURFACE; MIRNAS; CANCER; CELLS; LNA AB We have developed a new methodology for miRNA assay using chemiluminescence imaging by poly(U) polymerase catalyzed miRNA polymerization. This method is very sensitive with a 50 fM limit of detection, which is comparable to or better than current assay methods. Multiplex detection for miRNA can be easily realized by introducing different capture probes onto the biosensor array, which will make it highly versatile for various research purposes. C1 [Ma, Changbei; Yeung, Edward S.; Qi, Shengda; Han, Rui] US DOE, Ames Lab, Ames, IA 50011 USA. [Ma, Changbei; Yeung, Edward S.; Qi, Shengda; Han, Rui] Iowa State Univ, Dept Chem, Ames, IA 50011 USA. RP Yeung, ES (reprint author), US DOE, Ames Lab, Ames, IA 50011 USA. EM yeung@ameslab.gov FU U.S. Department of Energy by Iowa State University [DE-AC02-07CH11358]; Office of Basic Energy Science, Division of Chemical Sciences FX The Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under Contract No. DE-AC02-07CH11358. This work was supported by the Director of Science, Office of Basic Energy Science, Division of Chemical Sciences. NR 36 TC 14 Z9 14 U1 5 U2 48 PU SPRINGER HEIDELBERG PI HEIDELBERG PA TIERGARTENSTRASSE 17, D-69121 HEIDELBERG, GERMANY SN 1618-2642 J9 ANAL BIOANAL CHEM JI Anal. Bioanal. Chem. PD FEB PY 2012 VL 402 IS 6 BP 2217 EP 2220 DI 10.1007/s00216-011-5653-4 PG 4 WC Biochemical Research Methods; Chemistry, Analytical SC Biochemistry & Molecular Biology; Chemistry GA 892TL UT WOS:000300308400023 PM 22200928 ER PT J AU Liao, HH Myung, SW Zhang, YHP AF Liao, Hehuan Myung, Suwan Zhang, Y. -H. Percival TI One-step purification and immobilization of thermophilic polyphosphate glucokinase from Thermobifida fusca YX: glucose-6-phosphate generation without ATP SO APPLIED MICROBIOLOGY AND BIOTECHNOLOGY LA English DT Article DE Enzymatic building block; Cascade enzyme reaction; One-step purification and immobilization; Polyphosphate glucokinase; Synthetic pathway biotransformation (SyPaB); Thermobifida fusca ID CAPACITY CELLULOSIC ADSORBENT; SYNTHETIC ENZYMATIC PATHWAY; FREE PROTEIN-SYNTHESIS; GLUCOSE PHOSPHOTRANSFERASE; MYCOBACTERIUM-TUBERCULOSIS; INORGANIC POLYPHOSPHATE; AFFINITY ADSORPTION; ESCHERICHIA-COLI; BINDING MODULE; THERMOSTABILITY AB The discovery of stable and active polyphosphate glucokinase (PPGK, EC 2.7.1.63) would be vital to cascade enzyme biocatalysis that does not require a costly ATP input. An open reading frame Tfu_1811 from Thermobifida fusca YX encoding a putative PPGK was cloned and the recombinant protein fused with a family 3 cellulose-binding module (CBM-PPGK) was overexpressed in Escherichia coli. Mg2+ was an indispensible activator. This enzyme exhibited the highest activity in the presence of 4 mM Mg2+ at 55 degrees C and pH 9.0. Under its suboptimal conditions (pH 7.5), the k(cat) and K-m values of CBM-PPGK on glucose were 96.9 and 39.7 s(-1) as well as 0.77 and 0.45 mM at 37 degrees C and 50 degrees C respectively. The thermoinactivation of CBM-PPGK was independent of its mass concentration. Through one-step enzyme purification and immobilization on a high-capacity regenerated amorphous cellulose, immobilized CBM-PPGK had an approximately eightfold half lifetime enhancement (i.e., t(1/2)=120 min) as compared to free enzyme at 50 degrees C. To our limited knowledge, this enzyme was the first thermostable PPGK reported. Free PPGK and immobilized CBM-PPGK had total turnover number values of 126,000 and 961,000 mol product per mol enzyme, respectively, suggesting their great potential in glucose-6-phosphate generation based on low-cost polyphosphate. C1 [Liao, Hehuan; Myung, Suwan; Zhang, Y. -H. Percival] Virginia Polytech Inst & State Univ Virginia Tech, Dept Biol Syst Engn, Blacksburg, VA 24061 USA. [Myung, Suwan; Zhang, Y. -H. Percival] Virginia Polytech Inst & State Univ, ICTAS, Blacksburg, VA 24061 USA. [Zhang, Y. -H. Percival] DOE BioEnergy Sci Ctr BESC, Oak Ridge, TN 37831 USA. [Zhang, Y. -H. Percival] Gate Fuels Inc, Blacksburg, VA 24060 USA. RP Zhang, YHP (reprint author), Virginia Polytech Inst & State Univ Virginia Tech, Dept Biol Syst Engn, 210-A Seitz Hall, Blacksburg, VA 24061 USA. EM ypzhang@vt.edu FU Biological Systems Engineering Department of Virginia Tech; Air Force Office of Scientific Research [FA9550-08-1-0145]; USDA Biodesign and Bioprocess Center; DOE BESC; China Scholarship Council; ICTAS FX This work was not possible without support from the Biological Systems Engineering Department of Virginia Tech, the Air Force Office of Scientific Research (FA9550-08-1-0145), the USDA Biodesign and Bioprocess Center, and DOE BESC to YPZ. HL was partially supported by the China Scholarship Council. SM was partially supported by ICTAS through ICTAS Scholarship. We were grateful for the genomic DNA sample provided by Dr. David Wilson at Cornell University. NR 44 TC 23 Z9 23 U1 2 U2 24 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0175-7598 J9 APPL MICROBIOL BIOT JI Appl. Microbiol. Biotechnol. PD FEB PY 2012 VL 93 IS 3 BP 1109 EP 1117 DI 10.1007/s00253-011-3458-1 PG 9 WC Biotechnology & Applied Microbiology SC Biotechnology & Applied Microbiology GA 892JM UT WOS:000300282500019 PM 21766194 ER PT J AU Perrotin, A Mormino, EC Madison, CM Hayenga, AO Jagust, WJ AF Perrotin, Audrey Mormino, Elizabeth C. Madison, Cindee M. Hayenga, Amynta O. Jagust, William J. TI Subjective Cognition and Amyloid Deposition Imaging A Pittsburgh Compound B Positron Emission Tomography Study in Normal Elderly Individuals SO ARCHIVES OF NEUROLOGY LA English DT Article ID ALZHEIMERS-DISEASE; MEMORY COMPLAINTS; OLDER-ADULTS; APOE GENOTYPE; IMPAIRMENT; VOLUME; BRAIN; POPULATION; AWARENESS; DEMENTIA AB Objective: To study the relationship between subjective cognition and the neuropathological hallmark of Alzheimer disease (AD), amyloid-beta (A beta) deposition, using carbon 11-labeled Pittsburgh Compound B (PiB) positron emission tomography in normal elderly individuals. Design: Cross-sectional analysis. Subjects: Forty-eight cognitively normal elderly subjects (11 with high PiB uptake and 28 with low PiB uptake) were included. All underwent clinical and neuropsychological evaluations, magnetic resonance imaging, and positron emission tomography. Setting: Berkeley Aging Cohort Study. Main Outcome Measure: Relationship between PiB uptake and subjective cognition measures. Results: Subjects with high PiB uptake showed significantly lower performance than those with low PiB uptake on an episodic memory measure and were less confident about their general memory abilities when required to evaluate themselves relative to other people of the same age. High and low PiB uptake groups did not differ on the accuracy of their cognitive self-reports compared with objective cognitive performance. General memory self-reports from the whole group were significantly correlated with regional PiB uptake in the right medial prefrontal cortex and anterior cingulate cortex and in the right precuneus and posterior cingulate cortex. Reduced confidence about memory abilities was associated with greater PiB uptake in these brain regions. All results were independent of demographic variables and depressive affects. Conclusions: A decrease of self-confidence about memory abilities in cognitively normal elderly subjects may be related to the neuropathological hallmark of AD measured with PiB-positron emission tomography. Subjective cognitive impairment may represent a very early clinical manifestation of AD. C1 [Perrotin, Audrey] Univ Caen Basse Normandie, Inst Natl Sante & Rech Med, Ecole Prat Hautes Etud, Unite Rech U923,Grp Interet Publ Cyceron,Ctr Hosp, F-14074 Caen 05, France. [Perrotin, Audrey; Mormino, Elizabeth C.; Madison, Cindee M.; Hayenga, Amynta O.; Jagust, William J.] Univ Calif Berkeley, Helen Wills Neurosci Inst, Berkeley, CA 94720 USA. [Jagust, William J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. RP Perrotin, A (reprint author), Univ Caen Basse Normandie, Inst Natl Sante & Rech Med, Ecole Prat Hautes Etud, Unite Rech U923,Grp Interet Publ Cyceron, Bd Becquerel BP 5229, F-14074 Caen 05, France. EM audrey.perrotin@gmail.com FU National Institute on Aging [AG027859]; Alzheimer's Association [ZEN-08-87090]; French Ministry of Foreign and European Affairs; France-Berkeley Fund; Therese et Rene Planiol foundation; Societe de Neuropsychologie de Langue Francaise association FX This study was supported by grant AG027859 from the National Institute on Aging, grant ZEN-08-87090 from the Alzheimer's Association, the Lavoisier grant from the French Ministry of Foreign and European Affairs, the France-Berkeley Fund, the Therese et Rene Planiol foundation, and the Societe de Neuropsychologie de Langue Francaise association. NR 54 TC 74 Z9 75 U1 0 U2 8 PU AMER MEDICAL ASSOC PI CHICAGO PA 515 N STATE ST, CHICAGO, IL 60654-0946 USA SN 0003-9942 J9 ARCH NEUROL-CHICAGO JI Arch. Neurol. PD FEB PY 2012 VL 69 IS 2 BP 223 EP 229 PG 7 WC Clinical Neurology SC Neurosciences & Neurology GA 891NV UT WOS:000300224800010 PM 22332189 ER PT J AU Ogliore, RC Huss, GR Nagashima, K Butterworth, AL Gainsforth, Z Stodolna, J Westphal, AJ Joswiak, D Tyliszczak, T AF Ogliore, R. C. Huss, G. R. Nagashima, K. Butterworth, A. L. Gainsforth, Z. Stodolna, J. Westphal, A. J. Joswiak, D. Tyliszczak, T. TI INCORPORATION OF A LATE-FORMING CHONDRULE INTO COMET WILD 2 SO ASTROPHYSICAL JOURNAL LETTERS LA English DT Article DE comets: individual (Wild 2); Kuiper belt: general; planets and satellites: formation; planets and satellites: individual (Jupiter) ID EARLY SOLAR-SYSTEM; CARBONACEOUS-CHONDRITE; OXYGEN-ISOTOPE; FERROMAGNESIAN CHONDRULES; LOW-MASS; NEBULA; AL-26; ORIGIN; MINERALOGY; TRANSPORT AB We report the petrology, O isotopic composition, and Al-Mg isotope systematics of a chondrule fragment from the Jupiter-family comet Wild 2, returned to Earth by NASA's Stardust mission. This object shows characteristics of a type II chondrule that formed from an evolved oxygen isotopic reservoir. No evidence for extinct Al-26 was found, with (Al-26/Al-27)(0) < 3.0 x 10(-6). Assuming homogenous distribution of Al-26 in the solar nebula, this particle crystallized at least 3 Myr after the earliest solar system objects-relatively late compared to most chondrules in meteorites. We interpret the presence of this object in a Kuiper Belt body as evidence of late, large-scale transport of small objects between the inner and outer solar nebula. Our observations constrain the formation of Jupiter (a barrier to outward transport if it formed further from the Sun than this cometary chondrule) to be more than 3 Myr after calcium-aluminum-rich inclusions. C1 [Ogliore, R. C.; Huss, G. R.; Nagashima, K.] Univ Hawaii Manoa, Hawaii Inst Geophys & Planetol, Honolulu, HI 96822 USA. [Butterworth, A. L.; Gainsforth, Z.; Stodolna, J.; Westphal, A. J.] Univ Calif Berkeley, Space Sci Lab, Berkeley, CA 94720 USA. [Joswiak, D.] Univ Washington, Dept Astron, Seattle, WA 98195 USA. [Tyliszczak, T.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Ogliore, RC (reprint author), Univ Hawaii Manoa, Hawaii Inst Geophys & Planetol, Honolulu, HI 96822 USA. FU NASA [NNX07AM62G, NNX07AM67G]; Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by NASA grant NNX07AM62G (G.R.H.) and NNX07AM67G (A.J.W.). The operations of the Advanced Light Source and National Center for Electron Microscopy at Lawrence Berkeley National Laboratory are supported by the Director, Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy under contract number DE-AC02-05CH11231. The authors thank the anonymous reviewer for helpful suggestions. Iris was named by Laura Westphal. NR 50 TC 34 Z9 34 U1 0 U2 10 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 2041-8205 J9 ASTROPHYS J LETT JI Astrophys. J. Lett. PD FEB 1 PY 2012 VL 745 IS 2 AR L19 DI 10.1088/2041-8205/745/2/L19 PG 5 WC Astronomy & Astrophysics SC Astronomy & Astrophysics GA 891PJ UT WOS:000300228800004 ER PT J AU Gumbart, J Khalili-Araghi, F Sotomayor, M Roux, B AF Gumbart, James Khalili-Araghi, Fatemeh Sotomayor, Marcos Roux, Benoit TI Constant electric field simulations of the membrane potential illustrated with simple systems SO BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES LA English DT Article DE Electrostatics; Electrodes; Free energy; Patch clamp ID MOLECULAR-DYNAMICS SIMULATIONS; IONIC CHARGE IMBALANCE; CHANNEL VOLTAGE SENSOR; POTASSIUM CHANNEL; GATING CHARGE; SILICA NANOPORES; LIPID-MEMBRANES; GRAMICIDIN-A; K+ CHANNELS; FREE-ENERGY AB Advances in modern computational methods and technology make it possible to carry out extensive molecular dynamics simulations of complex membrane proteins based on detailed atomic models. The ultimate goal of such detailed simulations is to produce trajectories in which the behavior of the system is as realistic as possible. A critical aspect that requires consideration in the case of biological membrane systems is the existence of a net electric potential difference across the membrane. For meaningful computations, it is important to have well validated methodologies for incorporating the latter in molecular dynamics simulations. A widely used treatment of the membrane potential in molecular dynamics consists of applying an external uniform electric field E perpendicular to the membrane. The field acts on all charged particles throughout the simulated system, and the resulting applied membrane potential V is equal to the applied electric field times the length of the periodic cell in the direction perpendicular to the membrane. A series of test simulations based on simple membrane-slab models are carried out to clarify the consequences of the applied field. These illustrative tests demonstrate that the constant-field method is a simple and valid approach for accounting for the membrane potential in molecular dynamics studies of biomolecular systems. This article is part of a Special Issue entitled: Membrane protein structure and function. (C) 2011 Elsevier B.V. All rights reserved. C1 [Khalili-Araghi, Fatemeh; Roux, Benoit] Univ Chicago, Dept Biochem & Mol Biol, Gordon Ctr Integrat Sci, Chicago, IL 60637 USA. [Gumbart, James; Roux, Benoit] Argonne Natl Lab, Biosci Div, Argonne, IL 60439 USA. [Sotomayor, Marcos] Harvard Univ, Sch Med, Dept Neurobiol, Boston, MA 02115 USA. [Sotomayor, Marcos] Harvard Univ, Sch Med, Howard Hughes Med Inst, Boston, MA 02115 USA. RP Roux, B (reprint author), Univ Chicago, Dept Biochem & Mol Biol, Gordon Ctr Integrat Sci, 920 E 58Th St, Chicago, IL 60637 USA. EM roux@uchicago.edu RI Sotomayor, Marcos/J-4898-2012 OI Sotomayor, Marcos/0000-0002-3333-1805 FU National Institutes of Health [R01-GM062342, U54-GM087519] FX This work was supported by grants R01-GM062342 and U54-GM087519 from the National Institutes of Health. J.G. is a Director's Postdoctoral Fellow at Argonne National Laboratory. M.S. is an HHMI fellow of the Helen Hay Whitney Foundation. NR 63 TC 42 Z9 42 U1 2 U2 24 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0005-2736 EI 0006-3002 J9 BBA-BIOMEMBRANES JI Biochim. Biophys. Acta-Biomembr. PD FEB PY 2012 VL 1818 IS 2 SI SI BP 294 EP 302 DI 10.1016/j.bbamem.2011.09.030 PG 9 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 893TY UT WOS:000300380000021 PM 22001851 ER PT J AU Olsen, BN Schlesinger, PH Ory, DS Baker, NA AF Olsen, Brett N. Schlesinger, Paul H. Ory, Daniel S. Baker, Nathan A. TI Side-chain oxysterols: From cells to membranes to molecules SO BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES LA English DT Review DE Oxysterol; Cholesterol; Sterol; Homeostasis; Molecular dynamics ID ENDOPLASMIC-RETICULUM CHOLESTEROL; STEROL-SENSING DOMAIN; HMG COA REDUCTASE; ACID SYNTHESIS; LIPID RAFTS; LXR-ALPHA; HOMEOSTASIS; BINDING; PROTEIN; PATHWAY AB This review discusses the application of cellular biology, molecular biophysics, and computational simulation to understand membrane-mediated mechanisms by which oxysterols regulate cholesterol homeostasis. Side-chain oxysterols, which are produced enzymatically in vivo, are physiological regulators of cholesterol homeostasis and primarily serve as cellular signals for excess cholesterol. These oxysterols regulate cholesterol homeostasis through both transcriptional and non-transcriptional pathways; however, many molecular details of their interactions in these pathways are still not well understood. Cholesterol trafficking provides one mechanism for regulation. The current model of cholesterol trafficking regulation is based on the existence of two distinct cholesterol pools in the membrane: a low and a high availability/activity pool. It is proposed that the low availability/activity pool of cholesterol is integrated into tightly packing phospholipids and relatively inaccessible to water or cellular proteins, while the high availability cholesterol pool is more mobile in the membrane and is present in membranes where the phospholipids are not as compressed. Recent results suggest that oxysterols may promote cholesterol egress from membranes by shifting cholesterol from the low to the high activity pools. Furthermore, molecular simulations suggest a potential mechanism for oxysterol "activation" of cholesterol through its displacement in the membrane. This review discusses these results as well as several other important interactions between oxysterols and cholesterol in cellular and model lipid membranes. This article is part of a Special Issue entitled: Membrane protein structure and function. (C) 2011 Elsevier B.V. All rights reserved. C1 [Baker, Nathan A.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Olsen, Brett N.; Ory, Daniel S.] Washington Univ, St Louis Sch Med, Diabet Cardiovasc Dis Ctr, St Louis, MO 63130 USA. [Schlesinger, Paul H.] Washington Univ, St Louis Sch Med, Dept Cell Biol & Physiol, St Louis, MO 63130 USA. RP Baker, NA (reprint author), Pacific NW Natl Lab, POB 999,MSID K7-28, Richland, WA 99352 USA. EM nathan.baker@pnnl.gov RI Schlesinger, Paul/C-6049-2012; Baker, Nathan/A-8605-2010 OI Baker, Nathan/0000-0002-5892-6506 FU National Institutes of Health [R01 HL067773]; Texas Advanced Computing Center [TG-MCB060053, TG-MCA08X003]; National Biomedical Computation Resource (NIH) [P41 RR0860516] FX This work was supported by the National Institutes of Health grant R01 HL067773. Computational resources were provided by the Texas Advanced Computing Center through Teragrid grants TG-MCB060053 and TG-MCA08X003 as well as the National Biomedical Computation Resource (NIH P41 RR0860516). NR 49 TC 20 Z9 20 U1 0 U2 11 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0005-2736 J9 BBA-BIOMEMBRANES JI Biochim. Biophys. Acta-Biomembr. PD FEB PY 2012 VL 1818 IS 2 SI SI BP 330 EP 336 DI 10.1016/j.bbamem.2011.06.014 PG 7 WC Biochemistry & Molecular Biology; Biophysics SC Biochemistry & Molecular Biology; Biophysics GA 893TY UT WOS:000300380000024 PM 21745458 ER PT J AU Bals, BD Dale, BE AF Bals, Bryan D. Dale, Bruce E. TI Developing a model for assessing biomass processing technologies within a local biomass processing depot SO BIORESOURCE TECHNOLOGY LA English DT Article DE Techno-economic analysis; Local processing; APEX; Fast pyrolysis; Leaf protein ID BIO-OIL; ECONOMIC-ANALYSIS; PYROLYSIS; BIOFUELS; CHALLENGES; ETHANOL; PROTEIN; SIZE AB One solution to the supply chain challenges of cellulosic biofuels is a network of local biomass processing depots (LBPDs) that can produce stable, dense, intermediate commodities and valuable co-products prior to shipping to a refinery. A techno-economic model of an LBPD facility that could incorporate multiple technologies and products was developed in Microsoft Excel to be used to economically and environmentally evaluate potential LBPD systems. In this study, three technologies (ammonia fiber expansion or AFEX (TM) pretreatment, fast pyrolysis, and leaf protein processing) were assessed for profitability. Pyrolysis was slightly profitable under the base conditions, leaf protein processing was highly unprofitable, and AFEX was profitable if biomass drying was not required. This model can be adapted to multiple feed-stocks and end uses, including both economic and environmental modeling. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Bals, Bryan D.] Michigan State Univ, Biomass Convers Res Lab, Dept Chem Engn & Mat Sci, Lansing, MI 48910 USA. Michigan State Univ, Great Lakes Bioenergy Res Ctr, E Lansing, MI 48824 USA. RP Bals, BD (reprint author), Michigan State Univ, Biomass Convers Res Lab, Dept Chem Engn & Mat Sci, 3815 Technol Blvd, Lansing, MI 48910 USA. EM balsbrya@msu.edu FU DOE Great Lakes Bioenergy Research Center; US Department of Energy, Office of Science, Office of Biological and Environmental Research [DEFC02-07ER64494] FX This work was funded by DOE Great Lakes Bioenergy Research Center (www.greatlakesbioenergy.org) supported by the US Department of Energy, Office of Science, Office of Biological and Environmental Research, through Cooperative Agreement DEFC02-07ER64494. AFEX is a trademark of MBI International. We would like to thank Dr. FarzanehTeymouri and Tim Campbell of MBI International for their assistance in developing the AFEX-model, and Dr. Kasiviswanathan Muthukumarappan of South Dakota State University for information on densification. In addition, we thank Julie Sinistore and Dr. Doug Reinemann of the University of Wisconsin for their support and internal review of the model. NR 37 TC 22 Z9 22 U1 1 U2 34 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0960-8524 J9 BIORESOURCE TECHNOL JI Bioresour. Technol. PD FEB PY 2012 VL 106 BP 161 EP 169 DI 10.1016/j.biortech.2011.12.024 PG 9 WC Agricultural Engineering; Biotechnology & Applied Microbiology; Energy & Fuels SC Agriculture; Biotechnology & Applied Microbiology; Energy & Fuels GA 892EW UT WOS:000300270500023 PM 22209136 ER PT J AU Arora, HC Jensen, MP Yuan, Y Wu, AG Vogt, S Paunesku, T Woloschak, GE AF Arora, Hans C. Jensen, Mark P. Yuan, Ye Wu, Aiguo Vogt, Stefan Paunesku, Tatjana Woloschak, Gayle E. TI Nanocarriers Enhance Doxorubicin Uptake in Drug-Resistant Ovarian Cancer Cells SO CANCER RESEARCH LA English DT Article ID TITANIUM-DIOXIDE SURFACES; ADRIAMYCIN RESISTANCE; MEDIATED ENDOCYTOSIS; ANTITUMOR-ACTIVITY; TRANSFERRIN; NANOPARTICLES; ANATASE; ADSORPTION; EXPRESSION; AGENTS AB Resistance to anthracyclines and other chemotherapeutics due to P-glycoprotein (pgp)-mediated export is a frequent problem in cancer treatment. Here, we report that iron oxide-titanium dioxide core-shell nanocomposites can serve as efficient carriers for doxorubicin to overcome this common mechanism of drug resistance in cancer cells. Doxorubicin nanocarriers (DNC) increased effective drug uptake in drug-resistant ovarian cells. Mechanistically, doxorubicin bound to the TiO2 surface by a labile bond that was severed upon acidification within cell endosomes. Upon its release, doxorubicin traversed the intracellular milieu and entered the cell nucleus by a route that evaded pgp-mediated drug export. Confocal and X-ray fluorescence microscopy and flow cytometry were used to show the ability of DNCs to modulate transferrin uptake and distribution in cells. Increased transferrin uptake occurred through clathrin-mediated endocytosis, indicating that nanocomposites and DNCs may both interfere with removal of transferrin from cells. Together, our findings show that DNCs not only provide an alternative route of delivery of doxorubicin to pgp-overexpressing cancer cells but also may boost the uptake of transferrin-tagged therapeutic agents. Cancer Res; 72(3); 769-78. (C) 2011 AACR. C1 [Arora, Hans C.; Yuan, Ye; Paunesku, Tatjana; Woloschak, Gayle E.] Northwestern Univ, Feinberg Sch Med, Dept Radiat Oncol, Chicago, IL 60611 USA. [Paunesku, Tatjana; Woloschak, Gayle E.] Northwestern Univ, Feinberg Sch Med, Dept Radiol, Chicago, IL 60611 USA. [Jensen, Mark P.] Argonne Natl Lab, Adv Photon Source, Chem Sci & Engn Div, Argonne, IL 60439 USA. [Vogt, Stefan] Argonne Natl Lab, Adv Photon Source, Xray Operat & Res Div, Argonne, IL 60439 USA. [Wu, Aiguo] Chinese Acad Sci, Ningbo Inst Mat Technol & Engn, Ningbo, Zhejiang, Peoples R China. RP Paunesku, T (reprint author), Northwestern Univ, Feinberg Sch Med, Dept Radiat Oncol, 303 E Chicago Ave,Ward Bldg,Room 13-007, Chicago, IL 60611 USA. EM tpaunesku@northwestern.edu RI Wu, Aiguo/A-5414-2008; Jensen, Mark/G-9131-2012; Wu, Aiguo/C-1837-2015; Vogt, Stefan/B-9547-2009; Vogt, Stefan/J-7937-2013; Paunesku, Tatjana/A-3488-2017; Woloschak, Gayle/A-3799-2017 OI Jensen, Mark/0000-0003-4494-6693; Wu, Aiguo/0000-0001-7200-8923; Vogt, Stefan/0000-0002-8034-5513; Vogt, Stefan/0000-0002-8034-5513; Paunesku, Tatjana/0000-0001-8698-2938; Woloschak, Gayle/0000-0001-9209-8954 FU NIH [CA107467, EB002100, P50 CA89018, U54CA119341, 5 T32 CA 9560-23]; Northwestern University Clinical and Translational Sciences (NUCATS) Institute TL1 NIH/NCRR/OD [5TL1RR025739]; American Medical Association Foundation; NCI CCSG [P30 CA060553]; NCI [CA060553]; NASA Ames Research Center [NNA04CC36G]; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This work was supported by the following NIH grants: CA107467, EB002100, P50 CA89018, and U54CA119341; in addition, H. C. Arora was supported by NIH Carcinogenesis Training Grant 5 T32 CA 9560-23 and the Northwestern University Clinical and Translational Sciences (NUCATS) Institute TL1 NIH/NCRR/OD 5TL1RR025739 and the American Medical Association Foundation Seed Grant Research Program. Cell Imaging Facility is additionally supported by NCI CCSG P30 CA060553 and Flow Cytometry Facility by NCI CA060553. ICP-MS metal analysis characterization was carried out at the Northwestern University Quantitative Bioelemental Imaging Center supported by NASA Ames Research Center grant NNA04CC36G. Work at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Contract No. DE-AC02-06CH11357. NR 50 TC 50 Z9 50 U1 6 U2 42 PU AMER ASSOC CANCER RESEARCH PI PHILADELPHIA PA 615 CHESTNUT ST, 17TH FLOOR, PHILADELPHIA, PA 19106-4404 USA SN 0008-5472 EI 1538-7445 J9 CANCER RES JI Cancer Res. PD FEB 1 PY 2012 VL 72 IS 3 BP 769 EP 778 DI 10.1158/0008-5472.CAN-11-2890 PG 10 WC Oncology SC Oncology GA 894CZ UT WOS:000300405900021 PM 22158944 ER PT J AU Dai, J Lu, XY Quan, SW Zhang, BC Lin, L Hao, JK Zhu, F Xu, WC He, FS Jin, S Wang, F Liu, KX Geng, RL Zhao, K AF Dai Jing Lu Xiang-Yang Quan Sheng-Wen Zhang Bao-Cheng Lin Lin Hao Jian-Kui Zhu Feng Xu Wen-Can He Fei-Si Jin Song Wang Fang Liu Ke-Xin Geng, R. L. Zhao Kui TI Cold RF test and associated mechanical features correlation of a TESLA-style 9-cell superconducting niobium cavity built in China SO CHINESE PHYSICS C LA English DT Article DE superconducting cavity; unloaded quality factor; field emission AB The RF performance of a 1.3 GHz 9-cell superconducting niobium cavity was evaluated at cryogenic temperatures following surface processing by using the standard ILC-style recipe. The cavity is a TESLA-style 9-cell superconducting niobium cavity, with complete end group components including a higher order mode coupler, built in China for practical applications. An accelerating gradient of 28.6 MV/m was achieved at an unloaded quality factor of 4 x 10(9). The morphological property of mechanical features on the RF surface of this cavity was characterized through optical inspection. Correlation between the observed mechanical features and the RF performance of the cavity is attempted. C1 [Dai Jing; Lu Xiang-Yang; Quan Sheng-Wen; Zhang Bao-Cheng; Lin Lin; Hao Jian-Kui; Zhu Feng; Xu Wen-Can; He Fei-Si; Jin Song; Wang Fang; Liu Ke-Xin; Zhao Kui] Peking Univ, Inst Heavy Ion Phys, Beijing 100871, Peoples R China. [Geng, R. L.] Thomas Jefferson Natl Accelerator Facil, Newport News, VA USA. RP Dai, J (reprint author), Peking Univ, Inst Heavy Ion Phys, Beijing 100871, Peoples R China. EM kzhao@pku.edu.cn FU Major State Basic Research Development Program of China (973 Program) FX Supported by Major State Basic Research Development Program of China (973 Program) NR 6 TC 0 Z9 0 U1 0 U2 0 PU CHINESE PHYSICAL SOC PI BEIJING PA P O BOX 603, BEIJING 100080, PEOPLES R CHINA SN 1674-1137 J9 CHINESE PHYS C JI Chin. Phys. C PD FEB PY 2012 VL 36 IS 2 BP 156 EP 159 DI 10.1088/1674-1137/36/2/010 PG 4 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 893VO UT WOS:000300386000010 ER PT J AU Pei, SL Adolphsen, CE Li, ZH Solyak, NA Gonin, IV AF Pei Shi-Lun Adolphsen, Chris E. Li Zeng-Hai Solyak, Nikolay A. Gonin, Ivan V. TI RF thermal and new cold part design studies on a TTF-III input coupler for Project-X SO CHINESE PHYSICS C LA English DT Article DE RF thermal effect; TTF-III input coupler; multipacting; dynamic RF power loss; static thermal loss AB An RF power coupler is one of the key components in a superconducting (SC) linac. It provides RF power to the SC cavity and interconnects different temperature layers (1.8 K, 4.2 K, 70 K and 300 K). The TTF-III coupler is one of the most promising candidates for the High Energy (HE) linac of Project X, but it cannot meet the average power requirements because of the relatively high temperature rise on the warm inner conductor, so some design modifications will be required. In this paper, we describe our simulation studies on the copper coating thickness on the warm inner conductor with RRR values of 10 and 100. Our purpose is to rebalance the dynamic and static loads, and finally lower the temperature rise along the warm inner conductor. In addition, to get stronger coupling, better power handling and less multipacting probability, one new cold part design was proposed using a 60 mm coaxial line; the corresponding multipacting simulation studies have also been investigated. C1 [Pei Shi-Lun] Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China. [Adolphsen, Chris E.; Li Zeng-Hai] SLAC Natl Accelerator Lab, Menlo Pk, CA 94025 USA. [Solyak, Nikolay A.; Gonin, Ivan V.] Fermilab Natl Accelerator Lab, Batavia, IL 60510 USA. RP Pei, SL (reprint author), Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China. EM peisl@mail.ihep.ac.cn NR 10 TC 0 Z9 1 U1 0 U2 1 PU CHINESE PHYSICAL SOC PI BEIJING PA P O BOX 603, BEIJING 100080, PEOPLES R CHINA SN 1674-1137 J9 CHINESE PHYS C JI Chin. Phys. C PD FEB PY 2012 VL 36 IS 2 BP 173 EP 178 DI 10.1088/1674-1137/36/2/013 PG 6 WC Physics, Nuclear; Physics, Particles & Fields SC Physics GA 893VO UT WOS:000300386000013 ER PT J AU Nistico, P Bissell, MJ Radisky, DC AF Nistico, Paola Bissell, Mina J. Radisky, Derek C. TI Epithelial-Mesenchymal Transition: General Principles and Pathological Relevance with Special Emphasis on the Role of Matrix Metalloproteinases SO COLD SPRING HARBOR PERSPECTIVES IN BIOLOGY LA English DT Article ID CANCER STEM-CELLS; MAMMARY BRANCHING MORPHOGENESIS; SARCOMA VIRUS TUMORIGENESIS; BENIGN BREAST DISEASE; TGF-BETA; E-CADHERIN; SPLICE VARIANT; PULMONARY-FIBROSIS; BASEMENT-MEMBRANE; CARCINOMA CELLS AB Epithelial-mesenchymal transition (EMT) is a physiological process in which epithelial cells acquire the motile and invasive characteristics of mesenchymal cells. Although EMT in embryonic development is a coordinated, organized process involving interaction between many different cells and tissue types, aspects of the EMT program can be inappropriately activated in response to microenvironmental alterations and aberrant stimuli, and this can contribute to disease conditions including tissue fibrosis and cancer progression. Here we will outline how EMT functions in normal development, how it could be activated in pathologic conditions-especially by matrix metalloproteinases-and how it may be targeted for therapeutic benefit. C1 [Radisky, Derek C.] Mayo Clin, Ctr Canc, Jacksonville, FL 32224 USA. [Nistico, Paola] Regina Elena Inst Canc Res, Immunol Lab, I-00144 Rome, Italy. [Bissell, Mina J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. RP Radisky, DC (reprint author), Mayo Clin, Ctr Canc, Jacksonville, FL 32224 USA. EM radisky.derek@mayo.edu OI Nistico', Paola/0000-0003-4409-2261 NR 110 TC 41 Z9 41 U1 1 U2 12 PU COLD SPRING HARBOR LAB PRESS, PUBLICATIONS DEPT PI COLD SPRING HARBOR PA 1 BUNGTOWN RD, COLD SPRING HARBOR, NY 11724 USA SN 1943-0264 J9 CSH PERSPECT BIOL JI Cold Spring Harbor Perspect. Biol. PD FEB PY 2012 VL 4 IS 2 AR a011908 DI 10.1101/cshperspect.a011908 PG 10 WC Cell Biology SC Cell Biology GA 894CM UT WOS:000300404600008 ER PT J AU Bryan, AL Hopkins, WA Parikh, JH Jackson, BP Unrine, JM AF Bryan, A. L., Jr. Hopkins, W. A. Parikh, J. H. Jackson, B. P. Unrine, J. M. TI Coal fly ash basins as an attractive nuisance to birds: Parental provisioning exposes nestlings to harmful trace elements SO ENVIRONMENTAL POLLUTION LA English DT Article DE Coal fly ash basin; Common Grackle; Contaminants; Quiscalus quiscala; Selenium ID MATERNAL TRANSFER; CONTAMINATED SEDIMENTS; REPRODUCTIVE SUCCESS; MERCURY EXPOSURE; SELENIUM; GROWTH; ACCUMULATION; DEPOSITION; RESPONSES; TOXICITY AB Birds attracted to nest around coal ash settling basins may expose their young to contaminants by provisioning them with contaminated food. Diet and tissues of Common Grackle (Quiscalus quiscala) nestlings were analyzed for trace elements to determine if nestlings were accumulating elements via dietary exposure and if feather growth limits elemental accumulation in other tissues. Arsenic, cadmium, and selenium concentrations in ash basin diets were 5x higher than reference diets. Arsenic, cadmium, and selenium concentrations were elevated in feather, liver, and carcass, but only liver Se concentrations approached levels of concern. Approximately 15% of the total body burden of Se, As, and Cd was sequestered in feathers of older (>5 days) nestlings, whereas only 1% of the total body burden of Sr was sequestered in feathers. Feather concentrations of only three elements (As, Se, and Sr) were correlated with liver concentrations, indicating their value as non-lethal indicators of exposure. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Bryan, A. L., Jr.; Hopkins, W. A.; Parikh, J. H.; Jackson, B. P.; Unrine, J. M.] Savannah River Ecol Lab, Aiken, SC 29803 USA. RP Bryan, AL (reprint author), Savannah River Ecol Lab, PO Drawer E, Aiken, SC 29803 USA. EM lbryan@srel.edu RI Schneider, Larissa/C-9863-2012; OI Unrine, Jason/0000-0003-3012-5261 FU DOE [DE-FC09-07SR22506] FX Carol Eldridge, David Kling, and Brian Staub of SREL assisted with field collections and laboratory prep work. W.J. Manning and an anonymous reviewer provided comments improving earlier drafts of this manuscript. This research was supported by DOE Award Number DE-FC09-07SR22506 to the University of Georgia Research Foundation. NR 40 TC 21 Z9 21 U1 1 U2 18 PU ELSEVIER SCI LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, OXON, ENGLAND SN 0269-7491 J9 ENVIRON POLLUT JI Environ. Pollut. PD FEB PY 2012 VL 161 BP 170 EP 177 DI 10.1016/j.envpol.2011.10.021 PG 8 WC Environmental Sciences SC Environmental Sciences & Ecology GA 896BB UT WOS:000300539300023 PM 22230082 ER PT J AU Biswas, M Wocjan, T Langowski, J Smith, JC AF Biswas, M. Wocjan, T. Langowski, J. Smith, J. C. TI DNA bending potentials for loop-mediated nucleosome repositioning SO EPL LA English DT Article ID REMODELING FACTOR; FORCE MICROSCOPY; STRETCHING DNA; POLYMER-CHAIN; CHROMATIN; ISWI; FLEXIBILITY; MECHANISM; MOLECULE; LENGTH AB Nucleosome repositioning is a fundamental process in gene function. DNA elasticity is a key element of loop-mediated nucleosome repositioning. Two analytical models for DNA elasticity have been proposed: the linear sub-elastic chain (SEC), which allows DNA kinking, and the worm-like chain (WLC), with a harmonic bending potential. In vitro studies have shown that nucleosomes reposition in a discontiguous manner on a segment of DNA and this has also been found in ground-state calculations with the WLC analytical model. Here we study using Monte Carlo simulation the dynamics of DNA loop-mediated nucleosome repositioning at physiological temperatures using the SEC and WLC potentials. At thermal energies both models predict nearest-neighbor repositioning of nucleosomes on DNA, in contrast to the repositioning in jumps observed in experiments. This suggests a crucial role of DNA sequence in nucleosome repositioning. Copyright (C) EPLA, 2012 C1 [Biswas, M.; Smith, J. C.] Heidelberg Univ, Interdisciplinary Ctr Sci Comp IWR, D-69120 Heidelberg, Germany. [Wocjan, T.; Langowski, J.] German Canc Res Ctr, D-69120 Heidelberg, Germany. [Smith, J. C.] Oak Ridge Natl Lab, UT ORNL Ctr Mol Biophys, Oak Ridge, TN 37831 USA. [Smith, J. C.] Univ Tennessee, Dept Biochem & Cellular & Mol Biol, Knoxville, TN 37996 USA. RP Biswas, M (reprint author), Heidelberg Univ, Interdisciplinary Ctr Sci Comp IWR, Neuenheimer Feld 368, D-69120 Heidelberg, Germany. EM smithjc@ornl.gov RI smith, jeremy/B-7287-2012; Langowski, Jorg/A-1843-2011 OI smith, jeremy/0000-0002-2978-3227; Langowski, Jorg/0000-0001-8600-0666 NR 23 TC 3 Z9 3 U1 0 U2 8 PU EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY PI MULHOUSE PA 6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE SN 0295-5075 J9 EPL-EUROPHYS LETT JI EPL PD FEB PY 2012 VL 97 IS 3 AR 38004 DI 10.1209/0295-5075/97/38004 PG 6 WC Physics, Multidisciplinary SC Physics GA 894AU UT WOS:000300400000048 ER PT J AU Procaccia, I Regev, I AF Procaccia, I. Regev, I. TI Coarse-grained theory of a realistic tetrahedral liquid model SO EPL LA English DT Article ID PHASE-TRANSITION; CONFINED WATER; SILICON; BEHAVIOR AB Tetrahedral liquids such as water and silica-melt show unusual thermodynamic behavior such as a density maximum and an increase in specific heat when cooled to low temperatures. Previous work had shown that Monte Carlo and mean-field solutions of a lattice model can exhibit these anomalous properties with or without a phase transition, depending on the values of the different terms in the Hamiltonian. Here we use a somewhat different approach, where we start from a very popular empirical model of tetrahedral liquids -the Stillinger-Weber model- and construct a coarse-grained theory which directly quantifies the local structure of the liquid as a function of volume and temperature. We compare the theory to molecular-dynamics simulations and show that the theory can rationalize the simulation results and the anomalous behavior. Copyright (C) EPLA, 2012 C1 [Procaccia, I.; Regev, I.] Weizmann Inst Sci, Dept Chem Phys, IL-76100 Rehovot, Israel. [Regev, I.] Los Alamos Natl Lab, Div Theoret, Los Alamos, NM 87545 USA. [Regev, I.] Los Alamos Natl Lab, CNLS, Los Alamos, NM USA. RP Procaccia, I (reprint author), Weizmann Inst Sci, Dept Chem Phys, IL-76100 Rehovot, Israel. EM ido.regev@gmail.com FU European Research Council; German Israeli Foundation; Israel Science Foundation; US Department of Energy [DE-AC52-06NA25396] FX IR would like to thank T. LOOKMAN, P. LOXELEY and K. BARROS for useful discussions. This work has been supported in part by an "ideas" advanced grant from the European Research Council, by the German Israeli Foundation and the Israel Science Foundation. IR's work in Los Alamos National Laboratory was supported by the US Department of Energy through contract DE-AC52-06NA25396. NR 26 TC 2 Z9 2 U1 0 U2 9 PU EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY PI MULHOUSE PA 6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE SN 0295-5075 J9 EPL-EUROPHYS LETT JI EPL PD FEB PY 2012 VL 97 IS 3 AR 36010 DI 10.1209/0295-5075/97/36010 PG 5 WC Physics, Multidisciplinary SC Physics GA 894AU UT WOS:000300400000035 ER PT J AU Santamore, DH Timmermans, E AF Santamore, D. H. Timmermans, E. TI Spin critical opalescence in zero-temperature Bose-Einstein condensates SO EPL LA English DT Article ID SCATTERING LENGTH; ULTRACOLD ATOMS; MIXTURES; RECOMBINATION AB Cold-atom developments suggest the prospect of measuring scaling properties and long-range fluctuations of continuous phase transitions at zero temperature. We discuss the conditions for characterizing the phase separation of Bose-Einstein condensates of boson atoms in two distinct hyperfine spin states. The mean-field description breaks down as the system approaches the transition from the miscible side. An effective spin description clarifies the ferromagnetic nature of the transition. We show that a difference in the scattering lengths for the bosons in the same spin state leads to an effective internal magnetic field. The point at which the internal magnetic field vanishes (i.e., equal values of the like-boson scattering lengths) is a special point. We show that the long-range density fluctuations are suppressed near that point, while the effective spin exhibits the long-range fluctuations that characterize critical points. The zero-temperature system exhibits critical opalescence with respect to long-wavelength waves of impurity atoms that interact with the bosons in a spin-dependent manner. Copyright (C) EPLA, 2012 C1 [Santamore, D. H.] Temple Univ, Dept Phys, Philadelphia, PA 19122 USA. [Timmermans, E.] Los Alamos Natl Lab, Div Theory, Los Alamos, NM 87545 USA. RP Santamore, DH (reprint author), Temple Univ, Dept Phys, Philadelphia, PA 19122 USA. EM dhs18@temple.edu FU Los Alamos National Laboratory FX ET's work was funded by the LDRD-program of Los Alamos National Laboratory. We thank M. BOSHIER for helpful comments. NR 23 TC 2 Z9 2 U1 0 U2 1 PU EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY PI MULHOUSE PA 6 RUE DES FRERES LUMIERE, MULHOUSE, 68200, FRANCE SN 0295-5075 J9 EPL-EUROPHYS LETT JI EPL PD FEB PY 2012 VL 97 IS 3 AR 36009 DI 10.1209/0295-5075/97/36009 PG 6 WC Physics, Multidisciplinary SC Physics GA 894AU UT WOS:000300400000034 ER PT J AU Shue, CA Kalafut, AJ Gupta, M AF Shue, Craig A. Kalafut, Andrew J. Gupta, Minaxi TI Abnormally Malicious Autonomous Systems and Their Internet Connectivity SO IEEE-ACM TRANSACTIONS ON NETWORKING LA English DT Article DE Autonomous systems (ASs); security AB While many attacks are distributed across botnets, investigators and network operators have recently identified malicious networks through high profile autonomous system (AS) depeerings and network shutdowns. In this paper, we explore whether some ASs indeed are safe havens for malicious activity. We look for ISPs and ASs that exhibit disproportionately high malicious behavior using 10 popular blacklists, plus local spam data, and extensive DNS resolutions based on the contents of the blacklists. We find that some ASs have over 80% of their routable IP address space blacklisted. Yet others account for large fractions of blacklisted IP addresses. Several ASs regularly peer with ASs associated with significant malicious activity. We also find that malicious ASs as a whole differ from benign ones in other properties not obviously related to their malicious activities, such as more frequent connectivity changes with their BGP peers. Overall, we conclude that examining malicious activity at AS granularity can unearth networks with lax security or those that harbor cybercrime. C1 [Shue, Craig A.] Oak Ridge Natl Lab, Cyberspace Sci & Informat Intelligence Res Grp, Oak Ridge, TN 37830 USA. [Kalafut, Andrew J.] Grand Valley State Univ, Sch Comp & Informat Sci, Allendale, MI 49401 USA. [Gupta, Minaxi] Indiana Univ, Sch Informat & Comp, Bloomington, IN 47401 USA. RP Shue, CA (reprint author), Oak Ridge Natl Lab, Cyberspace Sci & Informat Intelligence Res Grp, Oak Ridge, TN 37830 USA. EM cshue@ornl.gov FU United States Government [DE-AC05-000OR22725]; United States Department of Energy; National Science Foundation (NSF) [CNS-0831988] FX This work was supported by a contractor of United States Government under Contract DE-AC05-000OR22725 with the United States Department of Energy and by the National Science Foundation (NSF) under Grant CNS-0831988. NR 27 TC 7 Z9 7 U1 0 U2 1 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1063-6692 EI 1558-2566 J9 IEEE ACM T NETWORK JI IEEE-ACM Trans. Netw. PD FEB PY 2012 VL 20 IS 1 BP 220 EP 230 DI 10.1109/TNET.2011.2157699 PG 11 WC Computer Science, Hardware & Architecture; Computer Science, Theory & Methods; Engineering, Electrical & Electronic; Telecommunications SC Computer Science; Engineering; Telecommunications GA 894KG UT WOS:000300425000017 ER PT J AU Zortman, WA Trotter, DC Lentine, AL Robertson, G Hsia, A Watts, MR AF Zortman, William A. Trotter, Douglas C. Lentine, Anthony L. Robertson, Gideon Hsia, Alex Watts, Michael R. TI Monolithic and Two-Dimensional Integration of Silicon Photonic Microdisks With Microelectronics SO IEEE PHOTONICS JOURNAL LA English DT Article DE CMOS; monolithic integration; 2-D integration; silicon photonic devices ID ELECTROOPTIC MODULATOR; HIGH-SPEED; COMPACT; VOLTAGE; ENERGY AB A low-power silicon photonic disk resonator is monolithically and two-dimensionally integrated with complementary metal-oxide-semiconductor (CMOS) electronics. The results show direct integration with established CMOS manufacturing lines without changing either the CMOS or the photonic process stack. Comparable results for each integration method show subpicojoule per bit modulation and the potential for further reductions. The analysis reveals that the process of integration does not limit the performance of photonic or electronic components, and clear steps to use smaller drivers to achieve sub-50 fJ/bit at 10 Gb/s operation are available. C1 [Zortman, William A.; Trotter, Douglas C.; Lentine, Anthony L.; Robertson, Gideon; Hsia, Alex; Watts, Michael R.] Sandia Natl Labs, Albuquerque, NM 87185 USA. [Zortman, William A.] Univ New Mexico, Ctr High Technol Mat, Albuquerque, NM 87185 USA. [Watts, Michael R.] MIT, Elect Res Lab, Cambridge, MA 02139 USA. RP Zortman, WA (reprint author), Sandia Natl Labs, POB 5800, Albuquerque, NM 87185 USA. EM wzortm@sandia.gov FU Sandia's Laboratory Directed Research and Development (LDRD); Sandia Corporation, a Lockheed Martin Company [DE-AC04-94AL85000] FX Manuscript received October 25, 2011; revised December 3, 2011; accepted November 26, 2011. Date of publication December 16, 2011; date of current version January 31, 2012. This work was supported by Sandia's Laboratory Directed Research and Development (LDRD) program. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under Contract DE-AC04-94AL85000. Corresponding author: W. A. Zortman (e-mail: wzortm@sandia.gov). NR 22 TC 5 Z9 5 U1 0 U2 7 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1943-0655 J9 IEEE PHOTONICS J JI IEEE Photonics J. PD FEB PY 2012 VL 4 IS 1 BP 242 EP 249 DI 10.1109/JPHOT.2011.2180372 PG 8 WC Engineering, Electrical & Electronic; Optics; Physics, Applied SC Engineering; Optics; Physics GA 891CQ UT WOS:000300194400003 ER PT J AU Lu, XF Goodrich, LF van der Laan, DC Splett, JD Cheggour, N Holesinger, TG Baca, FJ AF Lu, X. F. Goodrich, L. F. van der Laan, D. C. Splett, J. D. Cheggour, N. Holesinger, T. G. Baca, F. J. TI Correlation Between Pressure Dependence of Critical Temperature and the Reversible Strain Effect on the Critical Current and Pinning Force in Bi2Sr2CaCu2O8+x Wires SO IEEE TRANSACTIONS ON APPLIED SUPERCONDUCTIVITY LA English DT Article DE Axial strain; Bi-2212 wire; critical current; flux pinning; irreversibility field ID TRANSPORT CRITICAL CURRENTS; AXIAL STRAIN; SUPERCONDUCTING WIRES; MAGNETIC-FIELD; T-C AB Bi2Sr2CaCu2O8+x round wires are among the most promising high-temperature superconductor candidates for making high-field magnets that operate at fields above 20 T. Owing to the brittle nature of high-temperature superconductors, their electromechanical properties need to be studied and understood prior to magnet design and construction. The irreversible degradation of the critical current at high strains has been previously correlated to damage in the microstructure of the superconductor. The origin of the much smaller reversible strain dependence of the superconducting properties of Bi2Sr2CaCu2O8+x x wires has not yet been studied in detail. In this paper, we determine the cause of the reversible effect of strain on the pinning force and the critical current at temperatures ranging from 4 K to 65 K. Measurements were made as a function of tensile strain in magnetic fields up to 16 T. The irreversibility fields, determined from the macroscopic pinning force at various temperatures and strains, and the critical temperature of the Bi2Sr2CaCu2O8+x wire were found to be strain dependent. The reversible change in critical current and pinning force in Bi2Sr2CaCu2O8+x superconducting wires can be solely attributed to the dependence of the critical temperature on pressure. C1 [Lu, X. F.; Goodrich, L. F.; van der Laan, D. C.; Splett, J. D.; Cheggour, N.] NIST, Boulder, CO 80305 USA. [Lu, X. F.; van der Laan, D. C.; Cheggour, N.] Univ Colorado, Dept Phys, Boulder, CO 80309 USA. [Holesinger, T. G.; Baca, F. J.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. RP Lu, XF (reprint author), NIST, Boulder, CO 80305 USA. EM goodrich@boulder.nist.gov RI Cheggour, Najib/K-2769-2012; van der Laan, Danko/L-5098-2016 OI Cheggour, Najib/0000-0002-0741-3065; FU High Energy Physics of the U.S. Department of Energy; U.S. Government FX Manuscript received September 8, 2011; revised October 28, 2011; accepted October 28, 2011. Date of publication December 16, 2011; date of current version February 3, 2012. This work was supported in part by High Energy Physics of the U.S. Department of Energy through the Very High Field Superconducting Magnet Collaboration. This work was also supported in part by the U.S. Government, not protected by U.S. Copyright. This paper was recommended by Associate Editor J. Schwartz. NR 26 TC 7 Z9 7 U1 1 U2 15 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 1051-8223 J9 IEEE T APPL SUPERCON JI IEEE Trans. Appl. Supercond. PD FEB PY 2012 VL 22 IS 1 SI SI AR 8400307 DI 10.1109/TASC.2011.2174630 PG 7 WC Engineering, Electrical & Electronic; Physics, Applied SC Engineering; Physics GA 894JQ UT WOS:000300423400004 ER PT J AU Krishnan, S Hernon, D Hodes, M Mullins, J Lyons, AM AF Krishnan, Shankar Hernon, Domhnaill Hodes, Marc Mullins, John Lyons, Alan M. TI Design of Complex Structured Monolithic Heat Sinks for Enhanced Air Cooling SO IEEE TRANSACTIONS ON COMPONENTS PACKAGING AND MANUFACTURING TECHNOLOGY LA English DT Article DE Convective heat transfer; electronics cooling; heat sinks ID FORCED-CONVECTION; METAL FOAM; DISSIPATION; EXCHANGERS; MECHANISMS; TRANSPORT; FLOW AB The design and characterization of monolithic heat sinks, which can take the form of complex structures, is reported. The designs were conceived to augment heat transport for enhanced air cooling by exploiting clearly identified physical mechanisms, i.e., by streaming the flow through a 2-D array of polygonal ducts, by introducing flow-obstacle-induced local mixing, and by exploiting hydrodynamic instabilities to sustain flow unsteadiness. Fabrication of these unconventional designs was achieved by 3-D printing plastic patterns and converting them into monolithic copper structures by investment casting. A direct simulation approach aided by analytical solutions and experimental validation was undertaken to quantify fluid flow and heat transfer parameters. This paper concludes by quantifying the performance enhancement of the proposed heat sink geometries relative to a conventional longitudinally finned heat sink. On an equal pumping power basis, finned foam and slotted hexagonal heat sinks outperform conventional parallel plate finned heat sinks. On the other hand, the parallel plate heat sinks are better for pressure drop less than 20 Pa and slotted honeycombs are better for higher pressure drops (>20 Pa). C1 [Krishnan, Shankar; Hernon, Domhnaill; Hodes, Marc; Mullins, John; Lyons, Alan M.] Alcatel Lucent, Bell Labs, Dublin 19711, Ireland. RP Krishnan, S (reprint author), Battelle Pacific NW Natl Lab, MicroProd Breakthrough Inst, Corvallis, OR 97330 USA. EM shankar.krishnan@pnl.gov; hernon@alcatel-lucent.com; marc.hodes@tufts.edu; jmullins29@gmail.com; Alan.Lyons@csi.cuny.edu FU Irish Development Agency FX This work was supported in part by the Irish Development Agency. Recommended for publication by Associate Editor K. Ramakrishna upon evaluation of reviewers' comments. NR 23 TC 6 Z9 6 U1 1 U2 23 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 2156-3950 J9 IEEE T COMP PACK MAN JI IEEE Trans. Compon. Pack. Manuf. Technol. PD FEB PY 2012 VL 2 IS 2 BP 266 EP 277 DI 10.1109/TCPMT.2011.2175448 PG 12 WC Engineering, Manufacturing; Engineering, Electrical & Electronic; Materials Science, Multidisciplinary SC Engineering; Materials Science GA 891DL UT WOS:000300196600011 ER PT J AU Janecek, M Walder, JP McVittie, PJ Zheng, B von der Lippe, H McClish, M Dokhale, P Stapels, CJ Christian, JF Shah, KS Moses, WW AF Janecek, Martin Walder, Jean-Pierre McVittie, Patrick J. Zheng, Bob von der Lippe, Henrik McClish, Mickel Dokhale, Purushottam Stapels, Christopher J. Christian, James F. Shah, Kanai S. Moses, William W. TI A High-Speed Multi-Channel Readout for SSPM Arrays SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE Anger logic; ASIC; G-APD; MPPC; MRS-APD; readout time; resistor network; SiPM; SPM; SSPM ID SILICON PHOTOMULTIPLIER; FRONT-END; PET; SCINTILLATOR AB Solid-state photomultiplier (SSPM) arrays are a new technology that shows great promise to be used in PET detector modules. To reduce the number of channels in a PET scanner, it is attractive to use resistor dividers, which multiplex the number of channels in each module down to four analog output channels. It is also attractive to have SSPMs with large pixels (3 x 3 or 4 x 4 mm). However, large area SSPMs have correspondingly large capacitances (up to 1 nF) and directly coupling them to a resistive network will create a low-pass filter with a high RC time constant. In order to overcome this, we have developed an application specific integrated circuit (ASIC) that "hides" the intrinsic capacitance of the SSPM array from a resistive network with current buffers, significantly improving the rise time of the SSPM signals when connected to the resistive network. The ASIC is designed for a wide range of SSPM sizes, up to 1 nF (equivalent to 4 x 4 mm(2)), and for input currents of 1 to 20 mA per channel. To accommodate various sizes of SSPM pixels, the ASIC uses adjustable current sources (to keep the feedback loop stable). A test ASIC has been fabricated that has 16 input channels, an internal resistor divider array that produces four analog outputs, 16 buffers that isolate the SSPM capacitance from the resistor array, and four output buffers that can drive 100 ohm loads. Thus, detector modules based on SSPMs and this ASIC should be compatible with the block detector readout electronics found in many PET cameras. Tests of this ASIC show that its rise time is <2 ns (and it will thus not significantly degrade the similar to 7 ns rise time of the SSPM pixels) and that the analog decoding circuitry functions properly. C1 [Janecek, Martin; Walder, Jean-Pierre; McVittie, Patrick J.; Zheng, Bob; von der Lippe, Henrik; Moses, William W.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. [McClish, Mickel; Dokhale, Purushottam; Stapels, Christopher J.; Christian, James F.; Shah, Kanai S.] Radiat Monitoring Devices Inc, Waterton, MA 02472 USA. RP Janecek, M (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. EM mjanecek@lbl.gov; kshah@rmdinc.com RI Zheng, Bob/M-5055-2015 FU Office of Science, Office of Biological and Environmental Research, Biological Systems Science Division of the U.S. Department of Energy [DE-AC02-05CH11231] FX This work was supported by the Director, Office of Science, Office of Biological and Environmental Research, Biological Systems Science Division of the U.S. Department of Energy under Contract DE-AC02-05CH11231. NR 17 TC 9 Z9 9 U1 0 U2 6 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD FEB PY 2012 VL 59 IS 1 BP 13 EP 18 DI 10.1109/TNS.2011.2176142 PN 1 PG 6 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 894JH UT WOS:000300422500002 ER PT J AU Zhang, F Herman, C He, Z De Geronimo, G Vernon, E Fried, J AF Zhang, Feng Herman, Cedric He, Zhong De Geronimo, Gianluigi Vernon, Emerson Fried, Jack TI Characterization of the H3D ASIC Readout System and 6.0 cm(3) 3-D Position Sensitive CdZnTe Detectors SO IEEE TRANSACTIONS ON NUCLEAR SCIENCE LA English DT Article DE CdZnTe; position sensitive; 3-D AB Two 20 mm x 20 mm x 15 mm pixelated CZT detectors made by eV-Products were characterized using the new H3D Application Specific Integrated Circuits (ASIC) readout system developed by the Instrumentation Division at Brookhaven National Laboratory. The ASIC is capable of reading out energy and timing signals from 121 anode pixels and the planar cathode electrode of one CZT detector simultaneously. The system has a measured electronic noise of similar to 2.2 keV FWHM with a dynamic range from 20 keV to 3.0 MeV. The two detectors achieved energy resolution of 0.48% FWHM and 0.60% FWHM, respectively, at 662 keV for single-pixel events from the entire 6.0 cm(3) detection volume at room temperature with an un-collimated Cs-137 source. The average (mu tau)(e) of both detectors were measured to be >10(-2) cm(2)/V. The detection efficiency of the two detectors was evaluated at several different energies up to 1.3 MeV by comparing with simulated data. It was found that the total counts agree well between the measured data and the simulated data over the studied energy range. However, the measured photopeak counts were 10-15% lower than simulated photopeak counts at high gamma-ray energies. The analysis shows that the loss of photopeak efficiency is likely due to the charge loss from peripheral pixels to the boundary of detectors. C1 [Zhang, Feng; Herman, Cedric; He, Zhong] Univ Michigan, Dept Nucl Engn & Radiol Sci, Ann Arbor, MI 48109 USA. [De Geronimo, Gianluigi; Vernon, Emerson; Fried, Jack] Brookhaven Natl Lab, Instrumentat Div, Upton, NY 11973 USA. RP Zhang, F (reprint author), Univ Michigan, Dept Nucl Engn & Radiol Sci, Ann Arbor, MI 48109 USA. EM zhangf@umich.edu FU DTRA of the U.S. Department of Defense [DTRA01-02-D-0067]; DOE NA-22 Office [DE-FG52-06NA27499] FX Manuscript received March 01, 2011; revised July 11, 2011; accepted October 30, 2011. Date of publication January 04, 2012; date of current version February 10, 2012. The development of CZT detectors and ASIC readout systems were funded by DTRA of the U.S. Department of Defense under Grant DTRA01-02-D-0067. Event reconstruction algorithm development effort was supported by DOE NA-22 Office under Grant DE-FG52-06NA27499. NR 9 TC 24 Z9 24 U1 2 U2 16 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0018-9499 J9 IEEE T NUCL SCI JI IEEE Trans. Nucl. Sci. PD FEB PY 2012 VL 59 IS 1 BP 236 EP 242 DI 10.1109/TNS.2011.2175948 PN 2 PG 7 WC Engineering, Electrical & Electronic; Nuclear Science & Technology SC Engineering; Nuclear Science & Technology GA 894JN UT WOS:000300423100014 ER PT J AU Korolev, YD Frants, OB Landl, NV Kasyanov, VS Galanov, SI Sidorova, OI Kim, Y Rosocha, LA Matveev, IB AF Korolev, Yury D. Frants, Oleg B. Landl, Nikolay V. Kasyanov, Vladimir S. Galanov, Sergey I. Sidorova, Olga I. Kim, Yongho Rosocha, Louis A. Matveev, Igor B. TI Propane Oxidation in a Plasma Torch of a Low-Current Nonsteady-State Plasmatron SO IEEE TRANSACTIONS ON PLASMA SCIENCE LA English DT Article DE Glow-to-spark transition; hydrocarbon partial oxidation; plasma-assisted combustion; plasma torches ID ATMOSPHERIC-PRESSURE; GLOW-DISCHARGE; VOLUME DISCHARGE; INTERELECTRODE INTERVALS; GAS-DISCHARGE; IGNITION; AIR; SYSTEM; DECOMPOSITION; GASIFICATION AB This paper describes the plasma-assisted combustion system intended to generate a torch flame with a high power density per unit area. In the system, a kind of hybrid concept is proposed. A primary unit for combustion sustaining is a low-current nonsteady-state plasmatron with a low level of electric power. The plasmatron activates an air/hydrocarbon mixture and sustains the oxidation processes in the plasma torch. In turn, the heat power of the torch sustains the main burning process in the torch flame. The results of experiments on propane oxidation in the plasma torch of plasmatron in a wide range of equivalence ratio are presented. As applied to the combustion system design, the plasma torch can provide both the complete and the partial propane oxidation with syngas generation. C1 [Korolev, Yury D.; Frants, Oleg B.; Landl, Nikolay V.; Kasyanov, Vladimir S.; Galanov, Sergey I.] Russian Acad Sci, Inst High Current Elect, Tomsk 634055, Russia. [Korolev, Yury D.; Galanov, Sergey I.; Sidorova, Olga I.] Tomsk State Univ, Tomsk 634050, Russia. [Korolev, Yury D.] Tomsk Polytech Univ, Tomsk 634050, Russia. [Kim, Yongho; Rosocha, Louis A.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Matveev, Igor B.] Appl Plasma Technol, Mclean, VA 22101 USA. RP Korolev, YD (reprint author), Russian Acad Sci, Inst High Current Elect, Tomsk 634055, Russia. EM korolev@lnp.hcei.tsc.ru; frants@lnp.hcei.tsc.ru; landl@lnp.hcei.tsc.ru; kasyanov@lnp.hcei.tsc.ru; galanov@xf.tsu.ru; sidorova@xf.tsu.ru; yhkim@lanl.gov; plasmamon@msn.com; i.matveev@att.net RI Landl, Nikolay/G-9308-2012; Korolev, Yury/J-6212-2014; Sidorova, Olga/F-2239-2014; Galanov, Sergei/F-2238-2014 OI Korolev, Yury/0000-0002-6438-1178; FU International Scientific Technology Center [3959p]; Siberian Division RAS [IM-80] FX This work was supported in part by the International Scientific Technology Center under Project 3959p and in part by the Interdisciplinary Integrating Project of Siberian Division RAS under Project IM-80. NR 42 TC 23 Z9 25 U1 1 U2 15 PU IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC PI PISCATAWAY PA 445 HOES LANE, PISCATAWAY, NJ 08855-4141 USA SN 0093-3813 J9 IEEE T PLASMA SCI JI IEEE Trans. Plasma Sci. PD FEB PY 2012 VL 40 IS 2 BP 535 EP 542 DI 10.1109/TPS.2011.2176557 PN 2 PG 8 WC Physics, Fluids & Plasmas SC Physics GA 894MC UT WOS:000300429800017 ER PT J AU Jensen, C Xing, C Folsom, C Ban, H Phillips, J AF Jensen, C. Xing, C. Folsom, C. Ban, H. Phillips, J. TI Design and Validation of a High-Temperature Comparative Thermal-Conductivity Measurement System SO INTERNATIONAL JOURNAL OF THERMOPHYSICS LA English DT Article DE Comparative method; High-temperature measurement; Nuclear fuel compact; Thermal-conductivity measurement; Uncertainty analysis ID METAL HYDRIDE COMPACTS; STAINLESS-STEEL; APPARATUS; STANDARDS; SILICON AB A measurement system has been designed and built for the specific application of measuring the effective thermal conductivity of a composite, nuclear-fuel compact (small cylinder) over a temperature range of 100 A degrees C to 800 A degrees C. Because of the composite nature of the sample as well as the need to measure samples pre- and post-irradiation, measurement must be performed on the whole compact non-destructively. No existing measurement system is capable of obtaining its thermal conductivity in a non-destructive manner. The designed apparatus is an adaptation of the guarded-comparative-longitudinal heat flow technique. The system uniquely demonstrates the use of a radiative heat sink to provide cooling which greatly simplifies the design and setup of such high-temperature systems. The design was aimed to measure thermal-conductivity values covering the expected range of effective thermal conductivity of the composite nuclear fuel from 10 W . m(-1) . K-1 to 70 W . m(-1) . K-1. Several materials having thermal conductivities covering this expected range have been measured for system validation, and results are presented. A comparison of the results has been made to data from existing literature. Additionally, an uncertainty analysis is presented finding an overall uncertainty in sample thermal conductivity to be 6 %, matching well with the results of the validation samples. C1 [Jensen, C.; Xing, C.; Folsom, C.; Ban, H.] Utah State Univ, Dept Mech & Aerosp Engn, Logan, UT 84322 USA. [Phillips, J.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Jensen, C (reprint author), Utah State Univ, Dept Mech & Aerosp Engn, Logan, UT 84322 USA. EM colby.jensen@aggiemail.usu.edu RI Ban, Heng/I-6268-2012; OI Jensen, Colby/0000-0001-8925-7758 FU US Department of Energy, Office of Nuclear Energy, under DOE Idaho Operations Office [DE-AC07-05ID14517]; DOE Office of Nuclear Energy FX This study was supported by the US Department of Energy, Office of Nuclear Energy, under DOE Idaho Operations Office Contract DE-AC07-05ID14517. Work by C. Jensen is being performed using funding received from the DOE Office of Nuclear Energy's Nuclear Energy University Programs. NR 49 TC 14 Z9 15 U1 2 U2 21 PU SPRINGER/PLENUM PUBLISHERS PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0195-928X J9 INT J THERMOPHYS JI Int. J. Thermophys. PD FEB PY 2012 VL 33 IS 2 BP 311 EP 329 DI 10.1007/s10765-012-1161-9 PG 19 WC Thermodynamics; Chemistry, Physical; Mechanics; Physics, Applied SC Thermodynamics; Chemistry; Mechanics; Physics GA 891ZA UT WOS:000300254400008 ER PT J AU Rodgers, JM Smit, B AF Rodgers, Jocelyn M. Smit, Berend TI On the Equivalence of Schemes for Simulating Bilayers at Constant Surface Tension SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID ISOTHERMAL-ISOBARIC ENSEMBLE; SMALL SYSTEMS; MOLECULAR-DYNAMICS; MODEL MEMBRANES; SHELL MOLECULE; REQUIREMENT AB Lipid bilayers are simulated using flexible simulation cells in order to allow for relaxations in area per lipid as bilayer content and temperature are varied. We develop a suite of Monte Carlo (MC) moves designed to generate constant surface tension gamma and constant pressure P and find that the NPT partition function proposed by Attard [J. Chem. Phys. 1995, 103, 9884-9885] leads to an NP gamma T partition function with a form invariant to choice of independent shape variables. We then compare this suite of MC moves to NP gamma T MC moves previously employed in our group as well as a pair of MC moves designed to replicate the NP parallel to P perpendicular to T "ensemble" often used in molecular dynamics simulations to yield zero surface tension and constant pressure. A detailed analysis of shape fluctuations in a small bilayer system reveals that the two latter MC move sets are different from one another as well as from our new suite of MC moves, as justified by careful analysis of the partition functions. However, the study of a larger bilayer system reveals that, for practical purposes for this system, all six MC move sets are comparable to one another. C1 [Rodgers, Jocelyn M.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. [Smit, Berend] Univ Calif Berkeley, Dept Chem & Biomol Engn, Berkeley, CA 94720 USA. [Smit, Berend] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Smit, Berend] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA. RP Rodgers, JM (reprint author), Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Phys Biosci Div, Berkeley, CA 94720 USA. EM jrodgers78@gmail.com; berend-smit@berkeley.edu RI Smit, Berend/B-7580-2009 OI Smit, Berend/0000-0003-4653-8562 FU Chemical Sciences, Geo-sciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy, FWP [SISGRKN] FX This work was supported by the Chemical Sciences, Geo-sciences and Biosciences Division, Office of Basic Energy Sciences, Office of Science, U.S. Department of Energy, FWP number SISGRKN. NR 30 TC 1 Z9 1 U1 1 U2 15 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9618 J9 J CHEM THEORY COMPUT JI J. Chem. Theory Comput. PD FEB PY 2012 VL 8 IS 2 BP 404 EP 417 DI 10.1021/ct2007204 PG 14 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 890JT UT WOS:000300141600005 PM 26596592 ER PT J AU Brabec, J Pittner, J van Dam, HJJ Apra, E Kowalski, K AF Brabec, Jiri Pittner, Jiri van Dam, Hubertus J. J. Apra, Edoardo Kowalski, Karol TI Parallel Implementation of Multireference Coupled-Cluster Theories Based on the Reference-Level Parallelism SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID BLAST FORUM STANDARD; HILBERT-SPACE; STATE-UNIVERSAL; BRILLOUIN-WIGNER; EFFECTIVE-HAMILTONIANS; PERTURBATION-THEORY; CONFIGURATION-INTERACTION; CONVERGENCE ACCELERATION; MODEL SYSTEMS; LIH MOLECULE AB A novel algorithm for implementing a general type of multireference coupled-cluster (MRCC) theory based on the Jeziorski-Monkhorst exponential ansatz [Jeziorski, B.; Monkhorst, H. J. Phys. Rev. A 1981, 24, 1668] is introduced. The proposed algorithm utilizes processor groups to calculate the equations for the MRCC amplitudes. In the basic formulation, each processor group constructs the equations related to a specific subset of references. By flexible choice of processor groups and subset of reference-specific sufficiency conditions designated to a given group, one can ensure optimum utilization of available computing resources. The performance of this algorithm is illustrated on the examples of the Brillouin-Wigner and Mukherjee MRCC methods with singles and doubles (BW-MRCCSD and Mk-MRCCSD). A significant improvement in scalability and in reduction of time to solution is reported with respect to recently reported parallel implementation of the BW-MRCCSD formalism [Brabec, J.; van Dam, H. J. J.; Kowalski, K.; Pittner, J. Chem. Phys. Lett. 2011, 514, 347]. C1 [van Dam, Hubertus J. J.; Apra, Edoardo; Kowalski, Karol] Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, Richland, WA 99352 USA. [Brabec, Jiri; Pittner, Jiri] Acad Sci Czech Republic, J Heyrovsky Inst Phys Chem, CZ-18223 Prague 8, Czech Republic. RP Kowalski, K (reprint author), Pacific NW Natl Lab, William R Wiley Environm Mol Sci Lab, K8-91,POB 999, Richland, WA 99352 USA. EM karol.kowalski@pnnl.gov RI Apra, Edoardo/F-2135-2010; Brabec, Jiri/G-5479-2014; OI Apra, Edoardo/0000-0001-5955-0734; Brabec, Jiri/0000-0002-7764-9890; van Dam, Hubertus Johannes Jacobus/0000-0002-0876-3294 FU Extreme Scale Computing Initiative, Pacific Northwest National Laboratory; Department of Energy's Office of Biological and Environmental Research; Battelle Memorial Institute [DE-AC06.76RLO-1830]; Grant Agency of the Czech Republic (GACR) [208/11/2222]; Grant Agency of Charles University (GAUK) [43.252494]; Office of Science of the U.S. Department of Energy [DE-AC05-00OR22725] FX This work has been supported by the Extreme Scale Computing Initiative (J.B., H.J.J.v.D., K.K.), a Laboratory Directed Research and Development Program at Pacific Northwest National Laboratory. A large portion of the calculations have been performed using EMSL, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. The Pacific Northwest National Laboratory is operated for the U.S. Department of Energy by the Battelle Memorial Institute under Contract DE-AC06.76RLO-1830. This work has also been supported by the Grant Agency of the Czech Republic (GACR Project No. 208/11/2222) and the Grant Agency of Charles University (GAUK 43.252494). The largest scalability tests of the BW-MRCCSD implementation in NWChem have been performed on the Jaguar Cray-XT5 computer system of the National Center for Computational Sciences at Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. NR 61 TC 16 Z9 16 U1 1 U2 21 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9618 EI 1549-9626 J9 J CHEM THEORY COMPUT JI J. Chem. Theory Comput. PD FEB PY 2012 VL 8 IS 2 BP 487 EP 497 DI 10.1021/ct200809m PG 11 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 890JT UT WOS:000300141600012 PM 26596599 ER PT J AU Matthews, JF Beckham, GT Bergenstrahle-Wohlert, M Brady, JW Himmel, ME Crowley, MF AF Matthews, James F. Beckham, Gregg T. Bergenstrahle-Wohlert, Malin Brady, John W. Himmel, Michael E. Crowley, Michael F. TI Comparison of Cellulose I beta Simulations with Three Carbohydrate Force Fields SO JOURNAL OF CHEMICAL THEORY AND COMPUTATION LA English DT Article ID SYNCHROTRON X-RAY; MOLECULAR-DYNAMICS SIMULATIONS; NEUTRON FIBER DIFFRACTION; HYDROGEN-BONDING SYSTEM; C-13 NMR-SPECTROSCOPY; FUNCTIONAL THEORY DFT; IIII CRYSTAL MODELS; BIOMASS RECALCITRANCE; NATIVE CELLULOSE; ELEVATED-TEMPERATURES AB Molecular dynamics simulations of cellulose have recently become more prevalent due to increased interest in renewable energy applications, and many atomistic and coarse-grained force fields exist that can be applied to cellulose. However, to date no systematic comparison between carbohydrate force fields has been conducted for this important system. To that end, we present a molecular dynamics simulation study of hydrated, 36-chain cellulose I beta microfibrils at room temperature with three carbohydrate force fields (CHARMM35, GLYCAM06, and Gromos 45a4) up to the near-microsecond time scale. Our results indicate that each of these simulated microfibrils diverge from the cellulose 1 beta crystal structure to varying degrees under the conditions tested. The CHARMM35 and GLYCAM06 force fields eventually result in structures similar to those observed at 500 K with the same force fields, which are consistent with the experimentally observed high-temperature behavior of cellulose I. The third force field, Gromos 45a4, produces behavior significantly different from experiment, from the other two force fields, and from previously reported simulations with this force field using shorter simulation times and constrained periodic boundary conditions. For the GLYCAM06 force field, initial hydrogen-bond conformations and choice of electrostatic scaling factors significantly affect the rate of structural divergence. Our results suggest dramatically different time scales for convergence of properties of interest, which is important in the design of computational studies and comparisons to experimental data. This study highlights that further experimental and theoretical work is required to understand the structure of small diameter cellulose microfibrils typical of plant cellulose. C1 [Matthews, James F.; Himmel, Michael E.; Crowley, Michael F.] Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA. [Beckham, Gregg T.] Natl Renewable Energy Lab, Natl Bioenergy Ctr, Golden, CO USA. [Beckham, Gregg T.] Colorado Sch Mines, Dept Chem Engn, Golden, CO 80401 USA. [Bergenstrahle-Wohlert, Malin; Brady, John W.] Cornell Univ, Dept Food Sci, Ithaca, NY 14853 USA. [Bergenstrahle-Wohlert, Malin] Royal Inst Technol, Wallenberg Wood Sci Ctr, Stockholm, Sweden. RP Matthews, JF (reprint author), Natl Renewable Energy Lab, Biosci Ctr, Golden, CO 80401 USA. EM james.matthews@nrel.gov; michael.crowley@nrel.gov RI crowley, michael/A-4852-2013 OI crowley, michael/0000-0001-5163-9398 FU Office of Science's Office of Biological and Environmental Research, U.S. Department of Energy [DE-AC36-08GO28308]; Center for Direct Catalytic Conversion of Biomass to Biofuels (C3Bio), an Energy Frontier Research Center; U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0000997]; Ruvo Memorial Foundation of SCA AB; Sweden-America Foundation FX This research was supported by an award (DE-AC36-08GO28308) from the Office of Science's Office of Biological and Environmental Research, U.S. Department of Energy. J.F.M., M.E.H., and M.F.C. also were partially supported by the Center for Direct Catalytic Conversion of Biomass to Biofuels (C3Bio), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under award no. DE-SC0000997. M.B.-W. thanks Alf de Ruvo Memorial Foundation of SCA AB and Sweden-America Foundation for financial support. Computer time was provided by the TACC Ranger cluster under the National Science Foundation Teragrid grant no. MCB-090159. Some figures were made with VMD.135 We thank Chris Pelkie for visualization expertise, Miriam Estin for editorial assistance, and Robert Woods and his group for helpful comments. NR 128 TC 60 Z9 60 U1 4 U2 80 PU AMER CHEMICAL SOC PI WASHINGTON PA 1155 16TH ST, NW, WASHINGTON, DC 20036 USA SN 1549-9618 J9 J CHEM THEORY COMPUT JI J. Chem. Theory Comput. PD FEB PY 2012 VL 8 IS 2 BP 735 EP 748 DI 10.1021/ct2007692 PG 14 WC Chemistry, Physical; Physics, Atomic, Molecular & Chemical SC Chemistry; Physics GA 890JT UT WOS:000300141600035 PM 26596620 ER PT J AU Carroll, KC Oostrom, M Truex, MJ Rohay, VJ Brusseau, ML AF Carroll, Kenneth C. Oostrom, Mart Truex, Michael J. Rohay, Virginia J. Brusseau, Mark L. TI Assessing performance and closure for soil vapor extraction: Integrating vapor discharge and impact to groundwater quality SO JOURNAL OF CONTAMINANT HYDROLOGY LA English DT Article DE Soil vapor extraction; SVE; Concentration rebound; Mass flux; Remediation; NAPL; VOC; Vadose zone ID SOURCE STRENGTH FUNCTIONS; PARTIAL MASS DEPLETION; LAYERED POROUS-MEDIUM; DNAPL SOURCE ZONES; CARBON-TETRACHLORIDE; IMMISCIBLE LIQUID; CAPILLARY-FRINGE; FLUX-REDUCTION; VADOSE ZONE; REMOVAL AB Soil vapor extraction (SVE) is typically effective for removal of volatile contaminants from higher-permeability portions of the vadose zone. However, contamination in lower-permeability zones can persist due to mass transfer processes that limit the removal effectiveness. After SW has been operated for a period of time and the remaining contamination is primarily located in lower-permeability zones, the remedy performance needs to be evaluated to determine whether the SVE system should be optimized, terminated, or transitioned to another technology to replace or augment SW. Numerical modeling of vapor-phase contaminant transport was used to investigate the correlation between measured vapor-phase mass discharge. MFr, from a persistent, vadose-zone contaminant source and the resulting groundwater contaminant concentrations. This relationship was shown to be linear, and was used to directly assess SW remediation progress over time and to determine the level of remediation in the vadose zone necessary to protect groundwater. Although site properties and source characteristics must be specified to establish a unique relation between MFr, and the groundwater contaminant concentration, this correlation provides insight into SW performance and support for decisions to optimize or terminate the SVE operation or to transition to another type of treatment. (C) 2011 Elsevier B.V. All rights reserved. C1 [Carroll, Kenneth C.; Oostrom, Mart; Truex, Michael J.] Pacific NW Natl Lab, Richland, WA 99352 USA. [Rohay, Virginia J.] CH2M Hill Plateau Remediat Co, Richland, WA USA. [Brusseau, Mark L.] Univ Arizona, Dept Soil Water & Environm Sci, Tucson, AZ USA. [Brusseau, Mark L.] Univ Arizona, Dept Hydrol & Water Resources, Tucson, AZ 85721 USA. RP Carroll, KC (reprint author), Pacific NW Natl Lab, Richland, WA 99352 USA. EM Kenneth.Carroll@pnnl.gov RI Carroll, Kenneth/H-5160-2011 OI Carroll, Kenneth/0000-0003-2097-9589 FU Department of Energy (DOE) [DE-AC05-76RL01830]; U.S. Department of Energy - Office of Environmental Management; EM-32 Office of Groundwater and Soil Remediation; U.S. Department of Defense [ER-201125] FX The Pacific Northwest National Laboratory is operated by Battelle Memorial Institute for the Department of Energy (DOE) under Contract DE-AC05-76RL01830. The authors would like to thank the U.S. Department of Energy - Office of Environmental Management, EM-32 Office of Groundwater and Soil Remediation, and the U.S. Department of Defense Environmental Security Technology Certification Program (ER-201125), for their support of this research. NR 45 TC 17 Z9 18 U1 3 U2 31 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0169-7722 J9 J CONTAM HYDROL JI J. Contam. Hydrol. PD FEB 1 PY 2012 VL 128 IS 1-4 BP 71 EP 82 DI 10.1016/j.jconhyd.2011.10.003 PG 12 WC Environmental Sciences; Geosciences, Multidisciplinary; Water Resources SC Environmental Sciences & Ecology; Geology; Water Resources GA 895AW UT WOS:000300469600006 PM 22192346 ER PT J AU Vigo-Aguiar, J Hamilton, I Gray, SK AF Vigo-Aguiar, Jesus Hamilton, Ian Gray, Stephen K. TI Computer science and mathematics for chemistry-related applications SO JOURNAL OF MATHEMATICAL CHEMISTRY LA English DT Editorial Material C1 [Vigo-Aguiar, Jesus] Univ Salamanca, Fac Ciencias, E-37008 Salamanca, Spain. [Hamilton, Ian] Wilfrid Laurier Univ, Dept Chem, Waterloo, ON N2L 3C5, Canada. [Gray, Stephen K.] Argonne Natl Lab, Chem Sci & Engn Div, Argonne, IL 60439 USA. RP Vigo-Aguiar, J (reprint author), Univ Salamanca, Fac Ciencias, E-37008 Salamanca, Spain. EM jvigo@usal.es; ihamilton@wlu.ca; gray@tcg.anl.gov RI Vigo-Aguiar, Jesus/A-6215-2012 OI Vigo-Aguiar, Jesus/0000-0002-1921-6579 NR 7 TC 3 Z9 3 U1 0 U2 4 PU SPRINGER PI NEW YORK PA 233 SPRING ST, NEW YORK, NY 10013 USA SN 0259-9791 J9 J MATH CHEM JI J. Math. Chem. PD FEB PY 2012 VL 50 IS 2 SI SI BP 379 EP 380 DI 10.1007/s10910-011-9964-7 PG 2 WC Chemistry, Multidisciplinary; Mathematics, Interdisciplinary Applications SC Chemistry; Mathematics GA 892WQ UT WOS:000300316700008 ER PT J AU Croft, M Jisrawi, N Ignatov, A Holtz, RL Zhong, Z AF Croft, Mark Jisrawi, Najeh Ignatov, Alexander Holtz, Ronald L. Zhong, Zhong TI Fatigue crack growth "overload effect": mechanistic insights from in-situ synchrotron measurements SO JOURNAL OF STRAIN ANALYSIS FOR ENGINEERING DESIGN LA English DT Article DE Fatigue; strain; X-ray; synchrotron; overload ID X-RAY-DIFFRACTION; FULL-PROFILE ANALYSIS; DELTA-K; STRAIN; FIELDS AB Synchrotron-based, high-energy X-ray diffraction measurements are used to study the local strain fields underlying the transient fatigue crack growth rate retardation produced by a single overload cycle known as the overload effect. Specifically, 4140 steel compact tension specimens fatigued for varying levels of crack growth after an overload cycle have been studied with in-situ diffraction under varying external loads. The load responses of the strain at the overload-position, versus at the crack tip, are focused upon in detail. The large compressive residual strain at the overload-point is observed to remain essentially unchanged even after the overload-point is left in the wake of the propagating crack tip. The differential strain-load response at the crack-tip/overload position before and immediately after the overload is seen to be unchanged. Once the overload point is behind the crack tip, a highly nonlinear behavior is observed in which the load response of the strain field transfers from the overload -point to the crack tip when the load exceeds a critical value. The results are discussed in terms of plasticity-induced crack face contact at the overload point as an important local mechanism contributing to the "overload effect" in this specific system. C1 [Croft, Mark; Jisrawi, Najeh; Ignatov, Alexander] Rutgers State Univ, Dept Phys, Piscataway, NJ 08854 USA. [Croft, Mark; Zhong, Zhong] Brookhaven Natl Lab, Natl Synchrotron Light Source, Upton, NY 11973 USA. [Jisrawi, Najeh] Univ Sharjah, Dept Appl Phys, Sharjah, U Arab Emirates. [Holtz, Ronald L.] USN, Res Lab, Washington, DC 20375 USA. RP Croft, M (reprint author), Rutgers State Univ, Dept Phys, Piscataway, NJ 08854 USA. EM croft@physics.rutgers.edu FU Office of Naval Research (ONR) [N00014-04-1-0194]; DURIP ONR [N00014-02-1-0772]; US Department of Energy [DE-AC02-76CH00016] FX This work was supported by Office of Naval Research (ONR) under contract no. N00014-04-1-0194 and DURIP ONR N00014-02-1-0772. Utilization of the NSLS was supported by US Department of Energy contract DE-AC02-76CH00016. NR 32 TC 3 Z9 3 U1 0 U2 13 PU SAGE PUBLICATIONS LTD PI LONDON PA 1 OLIVERS YARD, 55 CITY ROAD, LONDON EC1Y 1SP, ENGLAND SN 0309-3247 J9 J STRAIN ANAL ENG JI J. Strain Anal. Eng. Des. PD FEB PY 2012 VL 47 IS 2 BP 83 EP 94 DI 10.1177/0309324711435197 PG 12 WC Engineering, Mechanical; Mechanics; Materials Science, Characterization & Testing SC Engineering; Mechanics; Materials Science GA 891MW UT WOS:000300222300003 ER PT J AU Soyer-Uzun, S Chae, SR Benmore, CJ Wenk, HR Monteiro, PJM AF Soyer-Uzun, Sezen Chae, Sejung Rosie Benmore, Chris J. Wenk, Hans-Rudolf Monteiro, Paulo J. M. TI Compositional Evolution of Calcium Silicate Hydrate (C-S-H) Structures by Total X-Ray Scattering SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID TRICALCIUM SILICATE; NEUTRON-DIFFRACTION; CRYSTAL-STRUCTURE; PORTLAND-CEMENT; OD CHARACTER; SI-29; MODEL; SPECTROSCOPY; PASTE; O-17 AB High-energy X-ray diffraction was employed to study the structural characteristics of a set of C-S-H samples with 0.6 <= C/S <= 1.75. It has been observed that Si is tetrahedrally coordinated to O for all samples irrespective of chemical composition and the Ca-O coordination number gradually decreases from similar to 7 to similar to 6 with increasing C/S ratio. This suggests that the C-S-H structure evolves from a tobermorite-like structure into a jennite-like structure as a function of increasing C/S ratio as the interlayer space decreases from similar to 1.3 to similar to 1 nm. Evolution of these short-and medium-range order structural characteristics in the C-S-H system is associated with the alteration of the Ca-O layers and silicate depolymerization with increasing C/S. C1 [Soyer-Uzun, Sezen; Chae, Sejung Rosie; Monteiro, Paulo J. M.] Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. [Benmore, Chris J.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Wenk, Hans-Rudolf] Univ Calif Berkeley, Dept Earth & Planetary Sci, Berkeley, CA 94720 USA. RP Monteiro, PJM (reprint author), Univ Calif Berkeley, Dept Civil & Environm Engn, Berkeley, CA 94720 USA. EM monteiro@ce.berkeley.edu OI Benmore, Chris/0000-0001-7007-7749 FU King Abdullah University of Science and Technology (KAUST) [KUS-11-004021]; US Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-AC02-06CH11357] FX This publication was based on the work supported in part by Award No. KUS-11-004021, made by King Abdullah University of Science and Technology (KAUST). The work at Argonne National Laboratory was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. NR 42 TC 24 Z9 25 U1 2 U2 19 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0002-7820 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD FEB PY 2012 VL 95 IS 2 BP 793 EP 798 DI 10.1111/j.1551-2916.2011.04989.x PG 6 WC Materials Science, Ceramics SC Materials Science GA 884UA UT WOS:000299733100056 ER PT J AU Gonzalez, GB Mason, TO Okasinski, JS Buslaps, T Honkimaki, V AF Gonzalez, G. B. Mason, T. O. Okasinski, J. S. Buslaps, T. Honkimaeki, V. TI Determination of the Solubility of Tin in Indium Oxide Using In Situ and Ex Situ X-Ray Diffraction SO JOURNAL OF THE AMERICAN CERAMIC SOCIETY LA English DT Article ID IN2O3-SNO2 SYSTEM; INTERMEDIATE COMPOUND; SNO2 AB A novel approach to determine the thermodynamic solubility of tin in indium oxide via the exsolution from tin overdoped nano-ITO powders is presented. High-energy, in situ and ex situ synchrotron X-ray diffraction was utilized to study the solubility limit at temperatures ranging from 900 degrees C to 1375 degrees C. The tin exsolution from overdoped nanopowders and the formation of In4Sn3O12 were observed in situ during the first 4-48 h of high-temperature treatment. Samples annealed between 900 degrees C and 1175 degrees C were also studied ex situ with heat treatments for up to 2060 h. Structural results obtained from Rietveld analysis include compositional phase analysis, atomic positions, and lattice parameters. The tin solubility in In2O3 was determined using the phase analysis compositions from X-ray diffraction and the elemental compositions obtained from X-ray fluorescence. Experimental complications that can lead to incorrect tin solubility values in the literature are discussed. C1 [Gonzalez, G. B.] DePaul Univ, Dept Phys, Chicago, IL 60614 USA. [Mason, T. O.] Northwestern Univ, Dept Mat Sci & Engn, Evanston, IL 60208 USA. [Okasinski, J. S.] Argonne Natl Lab, Adv Photon Source, Argonne, IL 60439 USA. [Buslaps, T.; Honkimaeki, V.] European Synchrotron Radiat Facil, Expt Div, F-38043 Grenoble, France. RP Gonzalez, GB (reprint author), DePaul Univ, Dept Phys, Chicago, IL 60614 USA. EM ggonza18@depaul.edu RI Mason, Thomas/B-7528-2009 FU NSF MRSEC at Northwestern University [DMR-0520513] FX TOM and GBG acknowledge support from the NSF MRSEC program at Northwestern University under grant no. DMR-0520513. NR 16 TC 9 Z9 9 U1 4 U2 22 PU WILEY-BLACKWELL PI HOBOKEN PA 111 RIVER ST, HOBOKEN 07030-5774, NJ USA SN 0002-7820 J9 J AM CERAM SOC JI J. Am. Ceram. Soc. PD FEB PY 2012 VL 95 IS 2 BP 809 EP 815 DI 10.1111/j.1551-2916.2011.04999.x PG 7 WC Materials Science, Ceramics SC Materials Science GA 884UA UT WOS:000299733100059 ER PT J AU Kapetanakis, MD Wang, JG Perakis, IE AF Kapetanakis, Myron D. Wang, Jigang Perakis, Ilias E. TI Femtosecond all-optical modulation of collective spin in the (Ga,Mn)As ferromagnet SO JOURNAL OF THE OPTICAL SOCIETY OF AMERICA B-OPTICAL PHYSICS LA English DT Article ID MAGNETIZATION DYNAMICS; ULTRAFAST; SEMICONDUCTORS; ANISOTROPY AB Using a many-body theory, we discuss some fundamental issues of femtomagnetism in magnetic electronic systems. We address the question of how spin may couple to transient optical coherence during time scales shorter than the photoexcitation duration and the characteristic times of interaction with the lattice. We also discuss the role of the competition between magnetic exchange and spin-orbit interactions in the nonthermal temporal evolution regime. Using density matrix equations of motion, we predict a femtosecond collective spin tilt leading to nonthermal magnetization modulation and all-optical ultrafast switching between different metastable magnetic states of (Ga,Mn)As ferromagnets. This spin dynamics is triggered by carrier coherences and by nonthermal populations photoexcited along the {111} equivalent directions of the Brillouin zone, which can be controlled by tuning the laser frequency/intensity and by using a small magnetic field. We present femtosecond magneto-optical spectroscopy experimental results that agree with our predictions. Our results indicate the possibility of reading the (Ga,Mn)As magnetic memory at THz speeds limited only by the pulse duration. (C) 2012 Optical Society of America C1 [Kapetanakis, Myron D.; Perakis, Ilias E.] Univ Crete, Dept Phys, Iraklion 71110, Crete, Greece. [Kapetanakis, Myron D.; Perakis, Ilias E.] Fdn Res & Technol Hellas, Inst Elect Struct & Laser, Iraklion 71110, Crete, Greece. [Wang, Jigang] Iowa State Univ, Dept Phys & Astron, Ames, IA 50011 USA. [Wang, Jigang] Iowa State Univ, Ames Lab, US DOE, Ames, IA 50011 USA. RP Perakis, IE (reprint author), Univ Crete, Dept Phys, Iraklion 71110, Crete, Greece. EM ilias@physics.uoc.gr RI Perakis, Ilias/G-9186-2011; OI KAPETANAKIS, MYRON/0000-0003-1503-9787 FU EU ITN; U.S. National Science Foundation [DMR-1055352]; U.S. Department of Energy-Basic Energy Sciences [DE-AC02-7CH11358] FX We thank Carlo Piermarocchi for his contribution to this work. This work was supported by the EU ITN program ICARUS, the U.S. National Science Foundation grant DMR-1055352, and the U.S. Department of Energy-Basic Energy Sciences under contract DE-AC02-7CH11358. NR 36 TC 8 Z9 8 U1 1 U2 10 PU OPTICAL SOC AMER PI WASHINGTON PA 2010 MASSACHUSETTS AVE NW, WASHINGTON, DC 20036 USA SN 0740-3224 EI 1520-8540 J9 J OPT SOC AM B JI J. Opt. Soc. Am. B-Opt. Phys. PD FEB PY 2012 VL 29 IS 2 BP A95 EP A102 PG 8 WC Optics SC Optics GA 894DN UT WOS:000300407300014 ER PT J AU Iqbal, MJ Ahmad, Z Meydan, T Nlebedim, IC AF Iqbal, Muhammad Javed Ahmad, Zahoor Meydan, Turgut Nlebedim, Ikenna Cajetan TI Influence of Ni-Cr substitution on the magnetic and electric properties of magnesium ferrite nanomaterials SO MATERIALS RESEARCH BULLETIN LA English DT Article DE Nanostructures; Chemical synthesis; Mossbauer spectroscopy; Electrical properties ID DIELECTRIC-PROPERTIES; COBALT FERRITE; SPINEL; MNFE2O4; NANOPARTICLES; CONDUCTIVITY; ANISOTROPY; MN AB The effect of variation of composition on the structural, morphological, magnetic and electric properties of Mg1-xNixCrxFe2-xO4 (x = 0.0-0.5) nanocrystallites is presented. The samples were prepared by novel polyethylene glycol (PEG) assisted microemulsion method with average crystallite size of 15-47 nm. The microstructure, chemical, and phase analyses of the samples were studied by the scanning electron microscopy (SEM), atomic force microscopy (AFM), energy dispersive X-ray fluorescence (ED-XRF), and X-ray diffraction (XRD). Compositional variation greatly affected the magnetic and structural properties. The high-field regimes of the magnetic loops are modelled using the Law of Approach (LOA) to saturation in order to extract information about their anisotropy and the saturation magnetization. Thermal demagnetization measurements are carried out using VSM and significant enhancement of the Curie temperature from 681 K to 832 K has been achieved by substitution of different contents of Ni-Cr. The dc-electrical resistivity (p(RT)) at potential operational range around 300 K is increased from 7.5 x 10(8) to 4.85 x 10(9) Omega cm with the increase in Ni-Cr contents. Moreover, the results of the present study provide sufficient evidence to show that the electric and magnetic properties of Mg-ferrite have been improved significantly by substituting low contents of Ni-Cr. (C) 2011 Elsevier Ltd. All rights reserved. C1 [Iqbal, Muhammad Javed; Ahmad, Zahoor] Quaid I Azam Univ, Dept Chem, Surface & Solid State Chem Lab, Islamabad 45320, Pakistan. [Meydan, Turgut] Cardiff Univ, Wolfson Ctr Magnet, Sch Engn, Cardiff CF24 3AA, S Glam, Wales. [Nlebedim, Ikenna Cajetan] US DOE, Ames Lab, Ames, IA 50011 USA. RP Iqbal, MJ (reprint author), Quaid I Azam Univ, Dept Chem, Surface & Solid State Chem Lab, Islamabad 45320, Pakistan. EM mjiqauchem@yahoo.com RI Iqbal, Muhammad Javed/F-5103-2015; OI Meydan, Turgut/0000-0002-4608-0507 FU Higher Education Commission (HEC) of Pakistan FX Financial support for this work provided by Higher Education Commission (HEC) of Pakistan is gratefully acknowledged. NR 34 TC 6 Z9 6 U1 1 U2 17 PU PERGAMON-ELSEVIER SCIENCE LTD PI OXFORD PA THE BOULEVARD, LANGFORD LANE, KIDLINGTON, OXFORD OX5 1GB, ENGLAND SN 0025-5408 EI 1873-4227 J9 MATER RES BULL JI Mater. Res. Bull. PD FEB PY 2012 VL 47 IS 2 BP 344 EP 351 DI 10.1016/j.materresbull.2011.11.011 PG 8 WC Materials Science, Multidisciplinary SC Materials Science GA 892FN UT WOS:000300272200030 ER PT J AU Knudson, DL Rempe, JL AF Knudson, D. L. Rempe, J. L. TI Linear variable differential transformer (LVDT)-based elongation measurements in Advanced Test Reactor high temperature irradiation testing SO MEASUREMENT SCIENCE AND TECHNOLOGY LA English DT Article DE in-pile instrumentation; nuclear fuel properties AB New materials are being considered for fuel, cladding and structures in next generation and existing nuclear reactors. These materials can undergo significant dimensional and physical changes during high temperature irradiations. Currently, such changes are determined by repeatedly irradiating a specimen for a specified period of time in the Advanced Test Reactor (ATR) and then removing it from the reactor for evaluation. The labor and time to remove, examine and return irradiated samples for each measurement make this approach very expensive. In addition, such techniques provide limited data and may disturb the phenomena of interest. To resolve these issues, an instrumented creep testing capability is being developed for specimens irradiated under pressurized water reactor coolant conditions in the ATR at the Idaho National Laboratory (INL). This paper reports the status of INL efforts to develop this testing capability. In addition to providing an overview of in-pile creep test capabilities available at other test reactors, this paper focuses on efforts to design and evaluate a prototype test rig in an autoclave at INL's High Temperature Test Laboratory. C1 [Knudson, D. L.; Rempe, J. L.] Idaho Natl Lab, Idaho Falls, ID 83415 USA. RP Knudson, DL (reprint author), Idaho Natl Lab, POB 1625,Mail Stop 3840, Idaho Falls, ID 83415 USA. EM Darrell.Knudson@inl.gov; Joy.Rempe@inl.gov OI Rempe, Joy/0000-0001-5527-3549 FU US Department of Energy, Office of Nuclear Energy, under DOE-NE Idaho Operations Office [DE AC07 05ID14517] FX This work was supported by the US Department of Energy, Office of Nuclear Energy, under DOE-NE Idaho Operations Office Contract DE AC07 05ID14517. NR 19 TC 2 Z9 2 U1 1 U2 4 PU IOP PUBLISHING LTD PI BRISTOL PA TEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND SN 0957-0233 EI 1361-6501 J9 MEAS SCI TECHNOL JI Meas. Sci. Technol. PD FEB PY 2012 VL 23 IS 2 AR 025604 DI 10.1088/0957-0233/23/2/025604 PG 7 WC Engineering, Multidisciplinary; Instruments & Instrumentation SC Engineering; Instruments & Instrumentation GA 889FB UT WOS:000300057900033 ER PT J AU Jen, KY Mao, JH Balmain, A AF Jen, K-Y Mao, J-H Balmain, A. TI Sequential Mutations in Notch1 and Fbxw7 in Radiation-Induced Mouse Thymic Lymphomas SO MODERN PATHOLOGY LA English DT Meeting Abstract CT 101st Annual Meeting of the United-States-and-Canadian-Academy-of-Pathology CY MAR 17-23, 2012 CL Vancouver, CANADA SP US & Canadian Acad Pathol C1 Univ Calif San Francisco, San Francisco, CA 94143 USA. Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Berkeley, CA 94720 USA. NR 0 TC 0 Z9 0 U1 1 U2 1 PU NATURE PUBLISHING GROUP PI NEW YORK PA 75 VARICK ST, 9TH FLR, NEW YORK, NY 10013-1917 USA SN 0893-3952 J9 MODERN PATHOL JI Mod. Pathol. PD FEB PY 2012 VL 25 SU 2 MA 1443 BP 344A EP 345A PG 2 WC Pathology SC Pathology GA 888EP UT WOS:000299986901720 ER PT J AU Bertin, A McMurray, MA Piersonb, J Thai, L McDonald, KL Zehr, EA Garcia, G Peters, P Thorner, J Nogales, E AF Bertin, Aurelie McMurray, Michael A. Piersonb, Jason Thai, Luong McDonald, Kent L. Zehr, Elena A. Garcia, Galo, III Peters, Peter Thorner, Jeremy Nogales, Eva TI Three-dimensional ultrastructure of the septin filament network in Saccharomyces cerevisiae SO MOLECULAR BIOLOGY OF THE CELL LA English DT Article ID BUDDING YEAST; CELL-CYCLE; GENE-PRODUCT; TOMOGRAPHIC RECONSTRUCTIONS; POLARIZED GROWTH; PLASMA-MEMBRANE; PROTEIN-KINASE; RING; ORGANIZATION; COMPARTMENTALIZATION AB Septins are conserved GTP-binding proteins involved in membrane compartmentalization and remodeling. In budding yeast, five mitotic septins localize at the bud neck, where the plasma membrane is enriched in phosphatidylinositol-4,5-bisphosphate (PtdIns4,5P(2)). We previously established the subunit organization within purified yeast septin complexes and how these hetero-octamers polymerize into filaments in solution and on PtdIns4,5P(2)-containing lipid monolayers. How septin ultrastructure in vitro relates to the septin-containing filaments observed at the neck in fixed cells by thin-section electron microscopy was unclear. A morphological description of these filaments in the crowded space of the cell is challenging, given their small cross section. To examine septin organization in situ, sections of dividing yeast cells were analyzed by electron tomography of freeze-substituted cells, as well as by cryo-electron tomography. We found networks of filaments both perpendicular and parallel to the mother-bud axis that resemble septin arrays on lipid monolayers, displaying a repeat pattern that mirrors the molecular dimensions of the corresponding septin preparations in vitro. Thus these in situ structures most likely represent septin filaments. In viable mutants lacking a single septin, in situ filaments are still present, although more disordered, consistent with other evidence that the in vivo function of septins requires filament formation. C1 [Bertin, Aurelie; McMurray, Michael A.; Thai, Luong; McDonald, Kent L.; Zehr, Elena A.; Garcia, Galo, III; Thorner, Jeremy; Nogales, Eva] Univ Calif Berkeley, Dept Mol & Cell Biol, Div Biochem & Mol Biol, Berkeley, CA 94720 USA. [Piersonb, Jason; Peters, Peter] Antoni van Leeuwenhoek Hosp, Netherlands Canc Inst, Div Cell Biol, NL-1066 CX Amsterdam, Netherlands. [Peters, Peter] Delft Univ Technol, Kavli Inst Nanosci, NL-2628 CJ Delft, Netherlands. [Nogales, Eva] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Life Sci, Berkeley, CA 94720 USA. [Nogales, Eva] Univ Calif Berkeley, Howard Hughes Med Inst, Berkeley, CA 94720 USA. RP Nogales, E (reprint author), Univ Calif Berkeley, Dept Mol & Cell Biol, Div Biochem & Mol Biol, Berkeley, CA 94720 USA. EM enogales@lbl.gov FU Jane Coffin Childs Postdoctoral Research Fellowship [61-1357]; National Institutes of Health [GM86603, GM21841] FX We thank Manfred Auer and Jeff Triffo (Lawrence Berkeley National Laboratory, Berkeley, CA) for their advice and technical help. This work was supported by Jane Coffin Childs Postdoctoral Research Fellowship 61-1357 (to A. B.), National Institutes of Health K99 Grant GM86603 (to M. A. M.), and National Institutes of Health R01 Grant GM21841 (to J.T.). E.N. is a Howard Hughes Medical Institute Investigator. NR 62 TC 41 Z9 42 U1 1 U2 7 PU AMER SOC CELL BIOLOGY PI BETHESDA PA 8120 WOODMONT AVE, STE 750, BETHESDA, MD 20814-2755 USA SN 1059-1524 J9 MOL BIOL CELL JI Mol. Biol. Cell PD FEB 1 PY 2012 VL 23 IS 3 BP 423 EP 432 DI 10.1091/mbc.E11-10-0850 PG 10 WC Cell Biology SC Cell Biology GA 894EN UT WOS:000300409900003 PM 22160597 ER PT J AU Crochet, JJ Duque, JG Werner, JH Doorn, SK AF Crochet, Jared J. Duque, Juan G. Werner, James H. Doorn, Stephen K. TI Photoluminescence imaging of electronic-impurity-induced exciton quenching in single-walled carbon nanotubes SO NATURE NANOTECHNOLOGY LA English DT Article ID QUANTUM DOTS; FLUORESCENCE; SPECTRA; SPECTROSCOPY; TRANSPORT AB The electronic properties of single-walled carbon nanotubes can be altered by surface adsorption of electronic impurities or dopants. However, fully understanding the influence of these impurities is difficult because of the inherent complexity of the solution-based colloidal chemistry of nanotubes, and because of a lack of techniques for directly imaging dynamic processes involving these impurities. Here, we show that photoluminescence microscopy can be used to image exciton quenching in semiconducting single-walled carbon nanotubes during the early stages of chemical doping with two different species. The addition of AuCl3 leads to localized exciton-quenching sites, which are attributed to a mid-gap electronic impurity level, and the adsorbed species are also found sometimes to be mobile on the surface of the nanotubes. The addition of H2O2 leads to delocalized exciton-quenching hole states, which are responsible for long-range photoluminescence blinking, and are also mobile. C1 [Crochet, Jared J.; Duque, Juan G.; Werner, James H.; Doorn, Stephen K.] Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. RP Crochet, JJ (reprint author), Los Alamos Natl Lab, Ctr Integrated Nanotechnol, Los Alamos, NM 87545 USA. EM skdoorn@lanl.gov OI Crochet, Jared/0000-0002-9570-2173; Werner, James/0000-0002-7616-8913 FU National Nuclear Security Administration of the US Department of Energy [DE-AC52-06NA25396] FX The authors acknowledge J.J. Han for technical support with the imaging experiment, J.D. Sau for stimulating theoretical discussions, and N.H. Mack for electron microscopy support. This work was performed at the Center for Integrated Nanotechnologies, a US Department of Energy, Office of Basic Energy Sciences user facility. Los Alamos National Laboratory is operated by Los Alamos National Security, LLC, for the National Nuclear Security Administration of the US Department of Energy (contract no. DE-AC52-06NA25396). NR 41 TC 38 Z9 38 U1 1 U2 60 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1748-3387 J9 NAT NANOTECHNOL JI Nat. Nanotechnol. PD FEB PY 2012 VL 7 IS 2 BP 126 EP 132 DI 10.1038/NNANO.2011.227 PG 7 WC Nanoscience & Nanotechnology; Materials Science, Multidisciplinary SC Science & Technology - Other Topics; Materials Science GA 894AJ UT WOS:000300398900015 PM 22231665 ER PT J AU Bartal, T Foord, ME Bellei, C Key, MH Flippo, KA Gaillard, SA Offermann, DT Patel, PK Jarrott, LC Higginson, DP Roth, M Otten, A Kraus, D Stephens, RB McLean, HS Giraldez, EM Wei, MSS Gautier, DC Beg, FN AF Bartal, Teresa Foord, Mark E. Bellei, Claudio Key, Michael H. Flippo, Kirk A. Gaillard, Sandrine A. Offermann, Dustin T. Patel, Pravesh K. Jarrott, Leonard C. Higginson, Drew P. Roth, Markus Otten, Anke Kraus, Dominik Stephens, Richard B. McLean, Harry S. Giraldez, Emilio M. Wei, Mingsheng S. Gautier, Donald C. Beg, Farhat N. TI Focusing of short-pulse high-intensity laser-accelerated proton beams SO NATURE PHYSICS LA English DT Article ID FAST IGNITION; ION-BEAMS; ELECTRON; DRIVEN; PLASMA AB Recent progress in generating high-energy (>50 MeV) protons from intense laser-matter interactions (10(18)-10(21) W cm(-2); refs 1-7) has opened up new areas of research, with applications in radiography(8), oncology(9), astrophysics(10), medical imaging(11), high-energy-density physics(12-14), and ion-proton beam fast ignition(15-19). With the discovery of proton focusing with curved surfaces(20,21), rapid advances in these areas will be driven by improved focusing technologies. Here we report on the first investigation of the generation and focusing of a proton beam using a cone-shaped target. We clearly show that the focusing is strongly affected by the electric fields in the beam in both open and enclosed (cone) geometries, bending the trajectories near the axis. Also in the cone geometry, a sheath electric field effectively 'channels' the proton beam through the cone tip, substantially improving the beam focusing properties. These results agree well with particle simulations and provide the physics basis for many future applications. C1 [Bartal, Teresa; Jarrott, Leonard C.; Higginson, Drew P.; Beg, Farhat N.] Univ Calif San Diego, Dept Mech & Aerosp Engn, La Jolla, CA 92093 USA. [Bartal, Teresa; Foord, Mark E.; Bellei, Claudio; Key, Michael H.; Patel, Pravesh K.; Higginson, Drew P.; McLean, Harry S.] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA. [Flippo, Kirk A.; Offermann, Dustin T.; Gautier, Donald C.] Los Alamos Natl Lab, Los Alamos, NM 87545 USA. [Gaillard, Sandrine A.] HZDR, D-01314 Dresden, Germany. [Roth, Markus; Otten, Anke; Kraus, Dominik] Tech Univ Darmstadt, Inst Kernphys, D-64289 Darmstadt, Germany. [Stephens, Richard B.; Giraldez, Emilio M.; Wei, Mingsheng S.] Gen Atom Co, San Diego, CA 92121 USA. RP Beg, FN (reprint author), Univ Calif San Diego, Dept Mech & Aerosp Engn, La Jolla, CA 92093 USA. EM fbeg@ucsd.edu RI Patel, Pravesh/E-1400-2011; Flippo, Kirk/C-6872-2009; Higginson, Drew/G-5942-2016; OI Flippo, Kirk/0000-0002-4752-5141; Higginson, Drew/0000-0002-7699-3788; Offermann, Dustin/0000-0002-6033-4905; Stephens, Richard/0000-0002-7034-6141 FU TRIDENT at Los Alamos National Laboratory; Lawrence Livermore National Laboratory; US Department of Energy by Lawrence Livermore National Laboratory [DE-SC0001265]; BMBF [06DA9044I] FX The authors sincerely thank P. Norreys for helpful discussions concerning this work and gratefully acknowledge the support of the staff at the TRIDENT laser facility at Los Alamos National Laboratory. We would also like to thank T. Yabuuchi for useful discussions. T. B. is supported through the Lawrence Scholar Program at Lawrence Livermore National Laboratory. This work was performed under the auspices of the US Department of Energy by Lawrence Livermore National Laboratory under Contract DE-SC0001265. M. R., A.O. and D. K. are supported by the BMBF 06DA9044I. NR 32 TC 50 Z9 51 U1 3 U2 41 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1745-2473 J9 NAT PHYS JI Nat. Phys. PD FEB PY 2012 VL 8 IS 2 BP 139 EP 142 DI 10.1038/NPHYS2153 PG 4 WC Physics, Multidisciplinary SC Physics GA 894CD UT WOS:000300403700018 ER PT J AU Yang, LY Koralek, JD Orenstein, J Tibbetts, DR Reno, JL Lilly, MP AF Yang, Luyi Koralek, J. D. Orenstein, J. Tibbetts, D. R. Reno, J. L. Lilly, M. P. TI Doppler velocimetry of spin propagation in a two-dimensional electron gas SO NATURE PHYSICS LA English DT Article ID HETERODYNE-DETECTION; EFFECT TRANSISTOR; QUANTUM-WELLS; COULOMB DRAG; SEMICONDUCTORS; GRATINGS; DIFFUSION AB Controlling the flow of electrons by manipulating their spin is a key to the development of spin-based electronics. Recent demonstrations of electrical-gate control in spin-transistor configurations have shown great promise, but operation at room temperature remains elusive. Further progress requires a deeper understanding of the propagation of spin polarization, particularly in the high-mobility semiconductors used for devices. Here we report the application of Doppler velocimetry to resolve the motion of spin-polarized electrons in GaAs quantum wells driven by a drifting Fermi sea. We find that the spin mobility tracks the high electron mobility precisely as a function of temperature. However, we also observe that the coherent precession of spins driven by spin-orbit interaction, which is essential for the operation of a broad class of spin logic devices, breaks down at temperatures above 150 K, for reasons that are not yet understood theoretically. C1 [Yang, Luyi; Orenstein, J.] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. [Yang, Luyi; Koralek, J. D.; Orenstein, J.] Univ Calif Berkeley, Lawrence Berkeley Natl Lab, Div Mat Sci, Berkeley, CA 94720 USA. [Tibbetts, D. R.; Reno, J. L.; Lilly, M. P.] Sandia Natl Labs, Albuquerque, NM 87123 USA. RP Orenstein, J (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA. EM JWOrenstein@lbl.gov RI Orenstein, Joseph/I-3451-2015 FU Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the US Department of Energy [DE-AC02-05CH11231]; US Department of Energy, Office of Basic Energy Sciences at Sandia National Laboratories [DE-AC04-94AL85000] FX All the optical and some of the electrical measurements were carried out at Lawrence Berkeley National Laboratory and were supported by the Director, Office of Science, Office of Basic Energy Sciences, Materials Sciences and Engineering Division, of the US Department of Energy under Contract No. DE-AC02-05CH11231. Sample growth and processing and some of the transport measurements were performed at the Center for Integrated Nanotechnologies, a US Department of Energy, Office of Basic Energy Sciences user facility at Sandia National Laboratories (Contract No. DE-AC04-94AL85000). NR 30 TC 17 Z9 17 U1 2 U2 25 PU NATURE PUBLISHING GROUP PI LONDON PA MACMILLAN BUILDING, 4 CRINAN ST, LONDON N1 9XW, ENGLAND SN 1745-2473 EI 1745-2481 J9 NAT PHYS JI Nat. Phys. PD FEB PY 2012 VL 8 IS 2 BP 153 EP 157 DI 10.1038/NPHYS2157 PG 5 WC Physics, Multidisciplinary SC Physics GA 894CD UT WOS:000300403700021 ER PT J AU Kojo, T Hidaka, Y Fukushima, K McLerran, LD Pisarski, RD AF Kojo, Toru Hidaka, Yoshimasa Fukushima, Kenji McLerran, Larry D. Pisarski, Robert D. TI Interweaving chiral spirals SO NUCLEAR PHYSICS A LA English DT Article DE Dense quark matter; Chiral spirals; Large N-c ID EFFECTIVE-FIELD THEORY; NONLOCAL NJL MODEL; GROSS-NEVEU MODEL; LARGE N-C; SYMMETRY-BREAKING; PHASE-DIAGRAM; HIGH-DENSITY; QUASI-CRYSTALS; COLOR SUPERCONDUCTIVITY; QUARKYONIC MATTER AB We elaborate how to construct interweaving chiral spirals in (2 + 1) dimensions, defined as a superposition of chiral spirals oriented in different directions. We divide a two-dimensional Fermi sea into distinct wedges, characterized by the opening angle 2 Theta and depth Q similar or equal to p(F), where p(F) is the Fermi momentum. In each wedge, the energy is lowered by forming a single chiral spiral. The optimal values for Theta and Q are chosen by balancing this gain in energy versus the cost of deforming the Fermi surface (which dominates at large Theta) and patch-patch interactions (dominant at small Theta). Using a non-local four-Fermi interaction model, we estimate the gain and cost in energy by expanding in terms of 1/N-c (where N-c is the number of colors), Lambda(QCD)/Q, and Theta. Due to a form factor in our non-local model, at small 1/N-c the mass gap (chiral condensate) is large, and the interaction among quarks and the condensate local in momentum space. Consequently, interactions between different patches are localized near their boundaries, and it is simple to embed many chiral spirals. We identify the dominant and subdominant terms at high density and categorize formulate an expansion in terms of Lambda(QCD)/Q or Theta. The kinetic term in the transverse directions is sub-dominant, so that techniques from (1 + 1)-dimensional systems can be utilized. To leading order in 1/N-c and Lambda(QCD)/Q, the total gain in energy is similar to p(F)Lambda(2)(QCD) with Theta similar to (Lambda(QCD)/p(F))(3/5). Since Theta decreases with increasing p(F), there should be phase transitions associated with the change in the wedge number. We also argue the effects of subdominant terms at lower density where the large-N-c approximation is more reliable. (C) 2011 Elsevier B.V. All rights reserved. C1 [Kojo, Toru; McLerran, Larry D.] Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA. [Hidaka, Yoshimasa] RIKEN Nishina Ctr, Math Phys Lab, Wako, Saitama 3510198, Japan. [Fukushima, Kenji] Keio Univ, Dept Phys, Fujisawa, Kanagawa 2238522, Japan. [McLerran, Larry D.; Pisarski, Robert D.] Brookhaven Natl Lab, Dept Phys, Upton, NY 11973 USA. RP Kojo, T (reprint author), Brookhaven Natl Lab, RIKEN BNL Res Ctr, Upton, NY 11973 USA. EM torujj@quark.phy.bnl.gov OI Fukushima, Kenji/0000-0003-0899-740X FU RIKEN; Ministry of Education, Culture, Science and Technology (MEXT) of Japan; U.S. Department of Energy [DE-AC02-98CH10886]; Alexander von Humboldt Foundation FX We thank G. Basar, G. Dunne, E.J. Ferrer, L.Y. Glozman, V. Incera, J. Liao, S. Nakamura, R. Rapp, E. Shuryak, G. Torrieri, and I. Zahed for useful comments and/or raising several important questions related to multiple (Quarkyonic) chiral spirals. Special thanks go to A.M. Tsvelik for the collaboration [19] with several of the present authors. We acknowledge the referee for constructive questions which have helped us to improve the original manuscript. T.K. acknowledges to S. Carignano and M. Buballa for explaining their NJL model studies on the chiral crystals before the publication. He also thanks the Asia Pacific Center for Theoretical Physics (APCTP) and Hashimoto Laboratory in RIKEN Nishina Center for their hospitality during his visit in March and April 2011. The research of Y.H. is supported by RIKEN and the Grand-in-Aid for the Global COE Program "The Next Generation of Physics, Spun from Universality and Emergence" from the Ministry of Education, Culture, Science and Technology (MEXT) of Japan; that of T.K. by the Postdoctoral Research Program of RIKEN; that of L.D.M. and R.D.P. by the U.S. Department of Energy under contract No. DE-AC02-98CH10886. R.D.P. also thanks the Alexander von Humboldt Foundation for their support. NR 149 TC 34 Z9 34 U1 0 U2 5 PU ELSEVIER SCIENCE BV PI AMSTERDAM PA PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS SN 0375-9474 EI 1873-1554 J9 NUCL PHYS A JI Nucl. Phys. A PD FEB 1 PY 2012 VL 875 BP 94 EP 138 DI 10.1016/j.nuclphysa.2011.11.007 PG 45 WC Physics, Nuclear SC Physics GA 892BR UT WOS:000300262200004 ER PT J AU Lockwood, BA Anitescu, M AF Lockwood, Brian A. Anitescu, Mihai TI Gradient-Enhanced Universal Kriging for Uncertainty Propagation SO NUCLEAR SCIENCE AND ENGINEERING LA English DT Article ID ESTIMATE MODEL CALIBRATION; BIOLOGICAL-SYSTEMS; COMPUTER-MODELS; PREDICTION; FRAMEWORK; DESIGN AB In this work, we investigate the issue of providing a statistical model for the response of a computer model-described nuclear engineering system, for use in uncertainty propagation. The motivation behind our approach is the need for providing an uncertainty assessment even in the circumstances where only a few samples are available. Building on our recent work in using a regression approach with derivative information for approximating the system response, we investigate the ability of a universal gradient-enhanced Kriging model to provide a means for inexpensive uncertainty quantification. The universal Kriging model can be viewed as a hybrid of polynomial regression and Gaussian process regression. For this model, the mean behavior of the surrogate is determined by a polynomial regression, and deviations from this mean are represented as a Gaussian process. Tests with explicit functions and nuclear engineering models show that the universal gradient-enhanced Kriging model provides a more accurate surrogate model than either regression or ordinary Kriging models. In addition, we investigate the ability of the Kriging model to provide error predictions and bounds for regression models. C1 [Lockwood, Brian A.] Univ Wyoming, Dept Mech Engn, Laramie, WY 82071 USA. [Anitescu, Mihai] Argonne Natl Lab, Div Math & Comp Sci, Argonne, IL 60439 USA. RP Lockwood, BA (reprint author), Univ Wyoming, Dept Mech Engn, 1000 E Univ Ave, Laramie, WY 82071 USA. EM anitescu@mcs.anl.gov FU U.S. Department of Energy [DE-FG02-97ER25308, DE-AC02-06CH11357] FX This work was supported in part by the U.S. Department of Energy under a Computational Science Graduate Fellowship through grant DE-FG02-97ER25308 (B. Lockwood) and under contract DE-AC02-06CH11357 (M. Anitescu). We thank our colleagues M. Alexe, T. Fanning, O. Roderick, J. Utke, Z. Wang, and W. Yamazaki for assistance and input. We also thank the two anonymous referees for comments that have improved the quality of the paper. NR 42 TC 9 Z9 9 U1 0 U2 5 PU AMER NUCLEAR SOC PI LA GRANGE PK PA 555 N KENSINGTON AVE, LA GRANGE PK, IL 60526 USA SN 0029-5639 EI 1943-748X J9 NUCL SCI ENG JI Nucl. Sci. Eng. PD FEB PY 2012 VL 170 IS 2 BP 168 EP 195 PG 28 WC Nuclear Science & Technology SC Nuclear Science & Technology GA 891JH UT WOS:000300212500005 ER PT J AU Abazov, VM Abbott, B Achary, BS Adams, M Adams, T Alexeev, GD Alkhazov, G Alton, A Alverson, G Alves, GA Aoki, M Arov, M Askew, A Asman, B Atramentov, O Avila, C BackusMayes, J Badaud, F Bagby, L Baldin, B Bandurin, DV Banerjee, S Barberis, E Baringer, P Barreto, J Bartlett, JF Bassler, U Bazterra, V Beale, S Bean, A Begalli, M Begel, M Belanger-Champagne, C Bellantoni, L Beri, SB Bernardi, G Bernhard, R Bertram, I Besancon, M Beuselinck, R Bezzubov, VA Bhat, PC Bhatnagar, V Blazey, G Blessing, S Bloom, K Boehnlein, A Boline, D Boos, EE Borissov, G Bose, T Brandt, A Brandt, O Brock, R Brooijmans, G Bross, A Brown, D Brown, J Bu, XB Buehler, M Buescher, V Bunichev, V Burdin, S Burnett, TH Buszello, CP Calpas, B Camacho-Perez, E Carrasco-Lizarraga, MA Casey, BCK Castilla-Valdez, H Chakrabarti, S Chakraborty, D Chan, KM Chandra, A Chen, G Chevalier-Thery, S Cho, DK Cho, SW Choi, S Choudhary, B Cihangir, S Claes, D Clutter, J Cooke, M Cooper, WE Corcoran, M Couderc, F Cousinou, MC Croc, A Cutts, D Das, A Davies, G De, K de Jong, SJ De La Cruz-Burelo, E Deliot, F Demarteau, M Demina, R Denisov, D Denisov, SP Desai, S Deterre, C DeVaughan, K Diehl, HT Diesburg, M Ding, PF Dominguez, A Dorland, T Dubey, A Dudko, LV Duggan, D Duperrin, A Dutt, S Dyshkant, A Eads, M Edmunds, D Ellison, J Elvira, VD Enari, Y Evans, H Evdokimov, A Evdokimov, VN Facini, G Ferbel, T Fiedler, F Filthaut, F Fisher, W Fisk, HE Fortner, M Fox, H Fuess, S Garcia-Bellido, A Gavrilov, V Gay, P Geng, W Gerbaudo, D Gerber, CE Gershtein, Y Ginther, G Golovanov, G Goussiou, A Grannis, PD Greder, S Greenlee, H Greenwood, ZD Gregores, EM Grenier, G Gris, P Grivaz, JF Grohsjea, A Grunendahl, S Grunewald, MW Guillemin, T Guo, F Gutierrez, G Gutierrez, P Haas, A Hagopia, S Haley, J Hang, L Harder, K Harein, A Hauptman, JM Hays, J Head, T Hebbeker, T Hedin, D Hegab, H Heinson, AP Heintz, U Hensel, C Heredia-De La Cruz, I Herner, K Hesketh, G Hildreth, MD Hirosky, R Hoangau, T Hobbs, JD Hoeneisen, B Hohlfeld, M Hubacek, Z Huske, N Hynek, V Lashvili, I Ilchenko, Y Illingworth, R Ito, AS Jabeen, S Jaffre, M Jamin, D Jayasinghe, A Jesik, R Johns, K Johnson, M Johnston, D Jonckheere, A Jonsson, P Joshi, J Jung, AW Juste, A Kaadze, K Kajfasz, E Karmanov, D Kasper, PA Katsanos, II Kehoe, R Kermiche, S Khalatyan, N Khanov, A Kharchilava, A Kharzheev, YN Kirby, MH Kohli, JM Kozelov, AV Kraus, J Kulikov, S Kumar, A Kupco, A Kurca, T Kuzmin, VA Kvita, J Lammers, S Landsberg, G Lebrun, P Lee, HS Lee, SW Lee, WM Lellouch, J Li, L Li, QZ Lietti, SM Lim, JK Lincoln, D Linnemann, J Lipaev, VV Lipton, R Liu, Y Liu, Z Lobodenko, A Lokajicek, M de Sa, RL Lubatti, HJ Luna-Garcia, R Lyon, AL Maciel, AKA Mackin, D Madar, R Magana-Villalba, R Malik, S Malyshev, VL Maravin, Y Martinez-Ortega, J McCarthy, R McGivern, CL Meijer, MM Melnitchouk, A Menezes, D Mercadante, PG Merkin, M Meyer, A Meyer, J Miconi, F Mondal, NK Muanza, GS Mulhearn, M Nagy, E Naimuddin, M Narain, M Nayyar, R Neal, HA Negret, JP Neustroev, P Novaes, SF Nunnemann, T Obrant, G Orduna, J Osman, N Osta, J Garzon, GJOY Padilla, M Pal, A Parashar, N Parihar, V Park, SK Parsons, J Partridge, R Parua, N Patwa, A Penning, B Perfilov, M Peters, K Peters, Y Petridis, K Petrillo, G Petroff, P Piegaia, R Pleier, MA Podesta-Lerma, PLM Podstavkov, VM Polozov, P Popov, AV Prewitt, M Price, D Prokopenko, N Protopopescu, S Qian, J Quadt, A Quinn, B Rangel, MS Ranjan, K Ratoff, R Razumov, I Renkel, P Rijssenbeek, M Ripp-Baudot, I Rizatdinova, F Rominsky, M Ross, A Royon, C Rubinov, P Ruchti, R Safronov, G Sajot, G Salcido, P Sanchez-Hernandez, A Sanders, MP Sanghi, B Santos, AS Savage, G Sawyer, L Scanlon, T Schamberger, RD Scheglov, Y Schellman, H Schliephake, T Schlobohm, S Schwanenberger, C Schwienhorst, R Sekaric, J Severini, H Shabalina, E Shary, V Shchukin, AA Shivpuri, RK Simak, V Sirotenko, V Skubic, P Slattery, P Smirnov, D Smith, KJ Snow, GR Snow, J Snyder, S Soldner-Rembold, S Sonnenschein, L Soustruznik, K Stark, J Stolin, V Stoyanova, DA Strauss, M Strom, D Stutte, L Suter, L Svoisky, P Takahashi, M Tanasijczuk, A Taylor, W Titov, M Tokmenin, VV Tsai, YT Tsybychev, D Tuchming, B Tully, C Uvarov, L Uvarov, S Uzunyan, S Van Kooten, R van Leeuwen, WM Varelas, N Varnes, EW Vasilyev, IA Verdier, P Vertogradov, LS Verzocchi, M Vesterinen, M Vilanova, D Vokac, P Wahl, HD Wang, MHLS Warchol, J Watts, G Wayne, M Weber, M Welty-Rieger, L White, A Wicke, D Williams, MRJ Wilson, GW Wobisch, M Wood, DR Wyatt, TR Xie, Y Xu, C Yacoob, S Yamada, R Yang, WC Yasuda, T Yatsunenko, YA Ye, Z Yin, H Yip, K Youn, SW Yu, J Zelitch, S Zhao, T Zhou, B Zhu, J Zielinski, M Zieminska, D Zivkovic, L AF Abazov, V. M. Abbott, B. Achary, B. S. Adams, M. Adams, T. Alexeev, G. D. Alkhazov, G. Alton, A. Alverson, G. Alves, G. A. Aoki, M. Arov, M. Askew, A. Asman, B. Atramentov, O. Avila, C. BackusMayes, J. Badaud, F. Bagby, L. Baldin, B. Bandurin, D. V. Banerjee, S. Barberis, E. Baringer, P. Barreto, J. Bartlett, J. F. Bassler, U. Bazterra, V. Beale, S. Bean, A. Begalli, M. Begel, M. Belanger-Champagne, C. Bellantoni, L. Beri, S. B. Bernardi, G. Bernhard, R. Bertram, I. Besancon, M. Beuselinck, R. Bezzubov, V. A. Bhat, P. C. Bhatnagar, V. Blazey, G. Blessing, S. Bloom, K. Boehnlein, A. Boline, D. Boos, E. E. Borissov, G. Bose, T. Brandt, A. Brandt, O. Brock, R. Brooijmans, G. Bross, A. Brown, D. Brown, J. Bu, X. B. Buehler, M. Buescher, V. Bunichev, V. Burdin, S. Burnett, T. H. Buszello, C. P. Calpas, B. Camacho-Perez, E. Carrasco-Lizarraga, M. A. Casey, B. C. K. Castilla-Valdez, H. Chakrabarti, S. Chakraborty, D. Chan, K. M. Chandra, A. Chen, G. Chevalier-Thery, S. Cho, D. K. Cho, S. W. Choi, S. Choudhary, B. Cihangir, S. Claes, D. Clutter, J. Cooke, M. Cooper, W. E. Corcoran, M. Couderc, F. Cousinou, M. -C. Croc, A. Cutts, D. Das, A. Davies, G. De, K. de Jong, S. J. De La Cruz-Burelo, E. Deliot, F. Demarteau, M. Demina, R. Denisov, D. Denisov, S. P. Desai, S. Deterre, C. DeVaughan, K. Diehl, H. T. Diesburg, M. Ding, P. F. Dominguez, A. Dorland, T. Dubey, A. Dudko, L. V. Duggan, D. Duperrin, A. Dutt, S. Dyshkant, A. Eads, M. Edmunds, D. Ellison, J. Elvira, V. D. Enari, Y. Evans, H. Evdokimov, A. Evdokimov, V. N. Facini, G. Ferbel, T. Fiedler, F. Filthaut, F. Fisher, W. Fisk, H. E. Fortner, M. Fox, H. Fuess, S. Garcia-Bellido, A. Gavrilov, V. Gay, P. Geng, W. Gerbaudo, D. Gerber, C. E. Gershtein, Y. Ginther, G. Golovanov, G. Goussiou, A. Grannis, P. D. Greder, S. Greenlee, H. Greenwood, Z. D. Gregores, E. M. Grenier, G. Gris, Ph. Grivaz, J. -F. Grohsjea, A. Gruenendahl, S. Gruenewald, M. W. Guillemin, T. Guo, F. Gutierrez, G. Gutierrez, P. Haas, A. Hagopia, S. Haley, J. Hang, L. Harder, K. Harein, A. Hauptman, J. M. Hays, J. Head, T. Hebbeker, T. Hedin, D. Hegab, H. Heinson, A. P. Heintz, U. Hensel, C. Heredia-De La Cruz, I. Herner, K. Hesketh, G. Hildreth, M. D. Hirosky, R. Hoangau, T. Hobbs, J. D. Hoeneisen, B. Hohlfeld, M. Hubacek, Z. Huske, N. Hynek, V. Lashvili, I. Ilchenko, Y. Illingworth, R. Ito, A. S. Jabeen, S. Jaffre, M. Jamin, D. Jayasinghe, A. Jesik, R. Johns, K. Johnson, M. Johnston, D. Jonckheere, A. Jonsson, P. Joshi, J. Jung, A. W. Juste, A. Kaadze, K. Kajfasz, E. Karmanov, D. Kasper, P. A. Katsanos, I. I. Kehoe, R. Kermiche, S. Khalatyan, N. Khanov, A. Kharchilava, A. Kharzheev, Y. N. Kirby, M. H. Kohli, J. M. Kozelov, A. V. Kraus, J. Kulikov, S. Kumar, A. Kupco, A. Kurca, T. Kuzmin, V. A. Kvita, J. Lammers, S. Landsberg, G. Lebrun, P. Lee, H. S. Lee, S. W. Lee, W. M. Lellouch, J. Li, L. Li, Q. Z. Lietti, S. M. Lim, J. K. Lincoln, D. Linnemann, J. Lipaev, V. V. Lipton, R. Liu, Y. Liu, Z. Lobodenko, A. Lokajicek, M. de Sa, R. Lopes Lubatti, H. J. Luna-Garcia, R. Lyon, A. L. Maciel, A. K. A. Mackin, D. Madar, R. Magana-Villalba, R. Malik, S. Malyshev, V. L. Maravin, Y. Martinez-Ortega, J. McCarthy, R. McGivern, C. L. Meijer, M. M. Melnitchouk, A. Menezes, D. Mercadante, P. G. Merkin, M. Meyer, A. Meyer, J. Miconi, F. Mondal, N. K. Muanza, G. S. Mulhearn, M. Nagy, E. Naimuddin, M. Narain, M. Nayyar, R. Neal, H. A. Negret, J. P. Neustroev, P. Novaes, S. F. Nunnemann, T. Obrant, G. Orduna, J. Osman, N. Osta, J. Otero y Garzon, G. J. Padilla, M. Pal, A. Parashar, N. Parihar, V. Park, S. K. Parsons, J. Partridge, R. Parua, N. Patwa, A. Penning, B. Perfilov, M. Peters, K. Peters, Y. Petridis, K. Petrillo, G. Petroff, P. Piegaia, R. Pleier, M. -A. Podesta-Lerma, P. L. M. Podstavkov, V. M. Polozov, P. Popov, A. V. Prewitt, M. Price, D. Prokopenko, N. Protopopescu, S. Qian, J. Quadt, A. Quinn, B. Rangel, M. S. Ranjan, K. Ratoff, Rn. Razumov, I. Renkel, P. Rijssenbeek, M. Ripp-Baudot, I. Rizatdinova, F. Rominsky, M. Ross, A. Royon, C. Rubinov, P. Ruchti, R. Safronov, G. Sajot, G. Salcido, P. Sanchez-Hernandez, A. Sanders, M. P. Sanghi, B. Santos, A. S. Savage, G. Sawyer, L. Scanlon, T. Schamberger, R. D. Scheglov, Y. Schellman, H. Schliephake, T. Schlobohm, S. Schwanenberger, C. Schwienhorst, R. Sekaric, J. Severini, H. Shabalina, E. Shary, V. Shchukin, A. A. Shivpuri, R. K. Simak, V. Sirotenko, V. Skubic, P. Slattery, P. Smirnov, D. Smith, K. J. Snow, G. R. Snow, J. Snyder, S. Soeldner-Rembold, S. Sonnenschein, L. Soustruznik, K. Stark, J. Stolin, V. Stoyanova, D. A. Strauss, M. Strom, D. Stutte, L. Suter, L. Svoisky, P. Takahashi, M. Tanasijczuk, A. Taylor, W. Titov, M. Tokmenin, V. V. Tsai, Y. -T. Tsybychev, D. Tuchming, B. Tully, C. Uvarov, L. Uvarov, S. Uzunyan, S. Van Kooten, R. van Leeuwen, W. M. Varelas, N. Varnes, E. W. Vasilyev, I. A. Verdier, P. Vertogradov, L. S. Verzocchi, M. Vesterinen, M. Vilanova, D. Vokac, P. Wahl, H. D. Wang, M. H. L. S. Warchol, J. Watts, G. Wayne, M. Weber, M. Welty-Rieger, L. White, A. Wicke, D. Williams, M. R. J. Wilson, G. W. Wobisch, M. Wood, D. R. Wyatt, T. R. Xie, Y. Xu, C. Yacoob, S. Yamada, R. Yang, W. -C. Yasuda, T. Yatsunenko, Y. A. Ye, Z. Yin, H. Yip, K. Youn, S. W. Yu, J. Zelitch, S. Zhao, T. Zhou, B. Zhu, J. Zielinski, M. Zieminska, D. Zivkovic, L. CA D0 Collaboration TI Search for Higgs bosons decaying to tau(+)tau(-) pairs in p(p)over-bar collisions at root s=1.96 TeV SO PHYSICS LETTERS B LA English DT Article ID HADRON COLLIDERS; MSSM; PHYSICS; SUPERSYMMETRY; FEYNHIGGS; PROGRAM AB We present a search for the production of neutral Higgs bosons decaying into tau(+)tau(-) pairs in p (p) over bar collisions at a center-of-mass energy of 1.96 TeV. The data, corresponding to an integrated luminosity of 5.4 fb(-1), were collected by the DO experiment at the Fermilab Tevatron Collider. We set upper limits at the 95% C.L. on the product of production cross section and branching ratio for a scalar resonance decaying into tau(+)tau(-) pairs, and we interpret these limits as limits on the production of Higgs bosons in the minimal supersymmetric standard model (MSSM) and as constraints in the MSSM parameter space. (C) 2011 Elsevier B.V. All rights reserved. C1 [Abazov, V. M.; Alexeev, G. D.; Golovanov, G.; Kharzheev, Y. N.; Malyshev, V. L.; Tokmenin, V. V.; Vertogradov, L. S.; Yatsunenko, Y. A.] Joint Inst Nucl Res, Dubna, Russia. [Otero y Garzon, G. J.; Piegaia, R.; Tanasijczuk, A.] Univ Buenos Aires, Buenos Aires, DF, Argentina. [Alves, G. A.; Maciel, A. K. A.; Rangel, M. S.] Ctr Brasileiro Pesquisas Fis, LAFEX, Rio De Janeiro, Brazil. [Barreto, J.; Begalli, M.] Univ Estado Rio de Janeiro, BR-20550011 Rio De Janeiro, Brazil. [Gregores, E. M.; Mercadante, P. G.] Univ Fed ABC, Santo Andre, Brazil. [Lietti, S. M.; Novaes, S. F.; Santos, A. S.] Univ Estadual Paulista, Inst Fis Teor, BR-01405 Sao Paulo, Brazil. [Beale, S.; Liu, Z.; Taylor, W.] Simon Fraser Univ, Vancouver, BC, Canada. [Beale, S.; Liu, Z.; Taylor, W.] York Univ, Toronto, ON M3J 2R7, Canada. [Hang, L.; Liu, Y.] Univ Sci & Technol China, Hefei 230026, Peoples R China. [Avila, C.; Negret, J. P.] Univ Los Andes, Bogota, Colombia. [Kvita, J.; Soustruznik, K.] Charles Univ Prague, Fac Math & Phys, Ctr Particle Phys, Prague, Czech Republic. [Hubacek, Z.; Hynek, V.; Simak, V.; Vokac, P.] Czech Tech Univ, CR-16635 Prague, Czech Republic. [Kupco, A.; Lokajicek, M.] Acad Sci Czech Republic, Inst Phys, Ctr Particle Phys, Prague, Czech Republic. [Hoeneisen, B.] Univ San Francisco Quito, Quito, Ecuador. [Badaud, F.; Gay, P.; Gris, Ph.] Univ Clermont Ferrand, LPC, CNRS, IN2P3, Clermont, France. [Sajot, G.; Stark, J.] Univ Grenoble 1, LPSC, Inst Natl Polytech Grenoble, CNRS,IN2P3, Grenoble, France. 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K.; Cutts, D.; Heintz, U.; Jabeen, S.; Landsberg, G.; Narain, M.; Parihar, V.; Partridge, R.; Zivkovic, L.] Brown Univ, Providence, RI 02912 USA. [Brandt, A.; De, K.; Pal, A.; White, A.; Yu, J.] Univ Texas Arlington, Arlington, TX 76019 USA. [Ilchenko, Y.; Kehoe, R.; Renkel, P.] So Methodist Univ, Dallas, TX 75275 USA. [Chandra, A.; Corcoran, M.; Mackin, D.; Orduna, J.; Prewitt, M.] Rice Univ, Houston, TX 77005 USA. [Buehler, M.; Hirosky, R.; Mulhearn, M.; Zelitch, S.] Univ Virginia, Charlottesville, VA 22901 USA. [BackusMayes, J.; Burnett, T. H.; Dorland, T.; Goussiou, A.; Schlobohm, S.; Watts, G.; Zhao, T.] Univ Washington, Seattle, WA 98195 USA. RP Abazov, VM (reprint author), Joint Inst Nucl Res, Dubna, Russia. RI bu, xuebing/D-1121-2012; Merkin, Mikhail/D-6809-2012; Alves, Gilvan/C-4007-2013; Dudko, Lev/D-7127-2012; Perfilov, Maxim/E-1064-2012; Yip, Kin/D-6860-2013; Karmanov, Dmitry/E-2242-2012; Boos, Eduard/D-9748-2012; Gutierrez, Phillip/C-1161-2011; Novaes, Sergio/D-3532-2012; Santos, Angelo/K-5552-2012; Mercadante, Pedro/K-1918-2012; Fisher, Wade/N-4491-2013; De, Kaushik/N-1953-2013; Deliot, Frederic/F-3321-2014; Sharyy, Viatcheslav/F-9057-2014; Lokajicek, Milos/G-7800-2014; Kupco, Alexander/G-9713-2014; Kozelov, Alexander/J-3812-2014; Gerbaudo, Davide/J-4536-2012; Li, Liang/O-1107-2015 OI Dudko, Lev/0000-0002-4462-3192; Yip, Kin/0000-0002-8576-4311; Novaes, Sergio/0000-0003-0471-8549; De, Kaushik/0000-0002-5647-4489; Sharyy, Viatcheslav/0000-0002-7161-2616; Gerbaudo, Davide/0000-0002-4463-0878; Li, Liang/0000-0001-6411-6107 FU DOE (USA); NSF (USA); CEA (France); CNRS/IN2P3 (France); FASI (Russia); RFBR (Russia); CNPq (Brazil); FAPERJ (Brazil); FAPESP (Brazil); FUNDUNESP (Brazil); DAE (India); DST (India); Colciencias (Colombia); CONACyT (Mexico); KRF (Korea); KOSEF (Korea); CONICET (Argentina); UBACyT (Argentina); FOM (The Netherlands); STFC (United Kingdom); Royal Society (United Kingdom); MSMT (Czech Republic); GACR (Czech Republic); CRC (Canada); NSERC (Canada); BMBF (Germany); DFG (Germany); SFI (Ireland); Swedish Research Council (Sweden); CAS (China); CNSF (China); Rosatom (Russia) FX We thank the staffs at Fermilab and collaborating institutions, and acknowledge support from the DOE and NSF (USA); CEA and CNRS/IN2P3 (France); FASI, Rosatom and RFBR (Russia); CNPq, FAPERJ, FAPESP and FUNDUNESP (Brazil); DAE and DST (India); Colciencias (Colombia); CONACyT (Mexico); KRF and KOSEF (Korea); CONICET and UBACyT (Argentina); FOM (The Netherlands); STFC and the Royal Society (United Kingdom); MSMT and GACR (Czech Republic); CRC Program and NSERC (Canada); BMBF and DFG (Germany); SFI (Ireland); The Swedish Research Council (Sweden); and CAS and CNSF (China). NR 41 TC 13 Z9 13 U1 0 U2 6 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 FEB 1 PY 2012 VL 707 IS 3-4 BP 323 EP 329 DI 10.1016/j.physletb.2011.12.050 PG 7 WC Astronomy & Astrophysics; Physics, Nuclear; Physics, Particles & Fields SC Astronomy & Astrophysics; Physics GA 890HA UT WOS:000300134500002 ER PT J AU Aad, G Abbott, B Abdallah, J Abdelalim, AA Abdesselam, A Abdinov, O Abi, B Abolins, M Abramowicz, H Abreu, H Acerbi, E Acharya, BS Adams, DL Addy, TN Adelman, J Aderholz, M Adomeit, S Adragna, P Adye, T Aefsky, S Aguilar-Saavedra, JA Aharrouche, M Ahlen, SP Ahles, F Ahmad, A Ahsan, M Aielli, G Akdogan, T Akesson, TPA Akimoto, G Akimov, AV Akiyama, A Alaml, MS Alam, MA Albrand, S Aleksa, M Aleksandrov, IN Alessandria, F Alexa, C Alexander, G Alexandre, G Alexopoulos, T Alhroob, M Aliev, M Alimonti, G Alison, J Aliyev, M Allport, PP Allwood-Spiers, SE Almond, J Aloisio, A Alon, R Alonso, A Alviggi, MG Amako, K Amaral, R Amelung, C Ammosov, VV Amorim, A Amoros, G Amram, N Anastopoulos, C Andari, N Andeen, T Anders, CF Anderson, KJ Andreazza, A Andrei, V Andrieux, ML Anduaga, XS Angerami, A Anghinolfi, F Anjos, N Annovi, A Antonaki, A Antonelli, M Antonov, A Antos, J Anulli, F Aoun, S Bella, LA Apolle, R Arabidze, G Aracena, I Arai, Y Arce, ATH Archambault, JP Arfaoui, S Arguin, JF Arik, E Arik, M Armbruster, AJ Arnaez, O Arnault, C Artamonov, A Artoni, G Arutinov, D Asai, S Asfandiyarov, R Ask, S Asman, B Asquith, L Assamagan, K Astbury, A Astvatsatourov, A Atoian, G Aubert, B Auerbach, B Auge, E Augsten, K Aurousseau, M Austin, N Avramidou, R Axen, D Ay, C Azuelos, G Azuma, Y Baak, MA Baccaglioni, G Bacci, C Bach, AM Bachacou, H Bachas, K Bachy, G Backes, M Backhaus, M Badescu, E Bagnaia, P Bahinipati, S Bai, Y Bailey, DC Bain, T Baines, JT Baker, OK Baker, MD Baker, S Pedrosa, FBD Banas, E Banerjee, P Banerjee, S Banfi, D Bangert, A Bansal, V Bansil, HS Barak, L Baranov, SP Barashkou, A Galtieri, AB Barber, T Barberio, EL Barberis, D Barbero, M Bardin, DY Barillari, T Barisonzi, M Barklow, T Barlow, N Barnett, BM Barnett, RM 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C Biscarat, C Bitenc, U Black, KM Blair, RE Blanchard, JB Blanchot, G Blazek, T Blocker, C Blocki, J Blondel, A Blum, W Blumenschein, U Bobbink, GJ Bobrovnikov, VB Bocchetta, SS Bocci, A Boddy, CR Boehler, M Boek, J Boelaert, N Boser, S Bogaerts, JA Bogdanchikov, A Bogouch, A Bohm, C Boisvert, V Bold, T Boldea, V Bolnet, NM Bona, M Bondarenko, VG Boonekamp, M Boorman, G Booth, CN Bordoni, S Borer, C Borisov, A Borissov, G Borjanovic, I Borroni, S Bos, K Boscherini, D Bosman, M Boterenbrood, H Botterill, D Bouchami, J Boudreau, J Bouhova-Thacker, EV Boulahouache, C Bourdarios, C Bousson, N Boveia, A Boyd, J Boyko, IR Bozhko, NI Bozovic-Jelisavcic, I Bracinik, J Braem, A Branchini, P Brandenburg, GW Brandt, A Brandt, G Brandt, O Bratzler, U Brau, B Brau, JE Braun, HM Brelier, B Bremer, J Brenner, R Bressler, S Breton, D Britton, D Brochu, FM Brock, I Brock, R Brodbeck, TJ Brodet, E Broggi, F Bromberg, C Brooijmans, G Brooks, WK Brown, G Brown, H de Renstrom, PAB Bruncko, D Bruneliere, R Brunet, S Bruni, A Bruni, G Bruschi, M Buanes, T Bucci, F Buchanan, J Buchanan, NJ Buchholz, P Buckingham, RM Buckley, AG Buda, SI Budagov, IA Budick, B Bucher, V Bugge, L Buira-Clark, D Bulekov, O Bunse, M Buran, T Burckhart, H Burdin, S Burgess, T Burke, S Busato, E Bussey, P Buszello, CP Butin, F Butler, B Butler, JM Buttar, CM Butterworth, JM Buttinger, W Byatt, T Urban, SC Caforio, D Cakir, O Calafiura, P Calderini, G Calfayan, P Calkins, R Caloba, LP Caloi, R Calvet, D Calvet, S Toro, RC Camarri, P Cambiaghi, M Cameron, D Campana, S Campanelli, M Canale, V Canelli, F Canepa, A Cantero, J Capasso, L Garrido, MDMC Caprini, I Caprini, M Capriotti, D Capua, M Caputo, R Caramarcu, C Cardarelli, R Carli, T Carlino, G Carminati, L Caron, B Caron, S Montoya, GDC Carter, AA Carter, JR Carvalho, J Casadei, D Casado, MP Cascella, M Caso, C Hernandez, AMC Castaneda-Miranda, E Gimenez, VC Castro, NF Cataldi, G Cataneo, F Catinaccio, A Catmore, JR Cattai, A Cattani, G Caughron, S Cauz, D Cavalleri, P Cavalli, D Cavalli-Sforza, M Cavasinni, V Ceradini, F Cerqueira, AS Cerri, A Cerrito, L Cerutti, F Cetin, SA Cevenini, F Chafaq, A Chakraborty, D Chan, K Chapleau, B Chapman, JD Chapman, JW Chareyre, E Charlton, DC Chavda, V Barajas, CAC Cheatham, S Chekanov, S Chekulaev, SV Chelkov, GA Chelstowska, MA Chen, C Chen, H Chen, S Chen, T Chen, X Cheng, S Cheplakov, A Chepurnov, VF El Moursli, RC Chernyatin, V Cheu, E Cheung, SL Chevalier, L Chiefari, G Chikovani, L Childers, JT Chilingarov, A Chiodini, G Chizhov, MV Choudalakis, G Chouridou, S Christidi, IA Christov, A Chromek-Burckhart, D Chu, ML Chudoba, J Ciapetti, G Ciba, K Ciftci, AK Ciftci, R Cinca, D Cindro, V Ciobotaru, MD Ciocca, C Ciocio, A Cirilli, M Ciubancan, M Clark, A Clark, PJ Cleland, W Clemens, JC Clement, B Clement, C Clifft, RW Coadou, Y Cobal, M Coccaro, A Cochran, J Coe, P Cogan, JG Coggeshall, J Cogneras, E Cojocaru, CD Colas, J Colijn, AP Collard, C Collins, NJ Collins-Tooth, C Collot, J Colon, G Muino, 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Woudstra, M. J. Wraight, K. Wright, C. Wrona, B. Wu, S. L. Wu, X. Wu, Y. Wulf, E. Wunstorf, R. Wynne, B. M. Xaplanteris, L. Xella, S. Xie, S. Xie, Y. Xu, C. Xu, D. Xu, G. Yabsley, B. Yamada, M. Yamamoto, A. Yamamoto, K. Yamamoto, S. Yamamura, T. Yamaoka, J. Yamazaki, T. Yamazaki, Y. Yan, Z. Yang, H. Yang, U. K. Yang, Y. Yang, Y. Yang, Z. Yanush, S. Yao, W. -M. Yao, Y. Yasu, Y. Smit, G. V. Ybeles Ye, J. Ye, S. Yilmaz, M. Yoosoofmiya, R. Yorita, K. Yoshida, R. Young, C. Youssef, S. Yu, D. Yu, J. Yu, J. Yuan, L. Yurkewicz, A. Zaets, V. G. Zaidan, R. Zaitsev, A. M. Zajacova, Z. Zalite, Yo K. Zanello, L. Zarzhitsky, P. Zaytsev, A. Zeitnitz, C. Zeller, M. Zemla, A. Zendler, C. Zenin, A. V. Zenin, O. Zenis, T. Zenonos, Z. Zenz, S. Zerwas, D. della Porta, G. Zevi Zhan, Z. Zhang, D. Zhang, H. Zhang, J. Zhang, X. Zhang, Z. Zhao, L. Zhao, T. Zhao, Z. Zhemchugov, A. Zheng, S. Zhong, J. Zhou, B. Zhou, N. Zhou, Y. Zhu, C. G. Zhu, H. Zhu, Y. Zhuang, X. Zhuravlov, V. Zieminska, D. Zimmermann, R. Zimmermann, S. Zimmermann, S. Ziolkowski, M. Zitoun, R. Zivkovic, L. Zmouchko, V. V. Zobernig, G. Zoccoli, A. Zolnierowski, Y. Zsenei, A. zur Nedden, M. Zutshi, V. Zwalinski, L. CA ATLAS Collaboration TI Measurement of the pseudorapidity and transverse momentum dependence of the elliptic flow of charged particles in lead-lead collisions at root s(NN)=2.76 TeV with the ATLAS detector SO PHYSICS LETTERS B LA English DT Article DE LHC; ATLAS; Heavy ions; Elliptic flow ID NUCLEAR COLLISIONS; COLLABORATION; PERSPECTIVE AB This Letter describes the measurement of elliptic flow of charged particles in lead-lead collisions at root s(NN) = 2.76 TeV using the ATLAS detector at the Large Hadron Collider (LHC). The results are based on an integrated luminosity of approximately 7 mu b(-1). Elliptic flow is measured over a wide region in pseudorapidity, vertical bar eta vertical bar < 2.5, and over a broad range in transverse momentum, 0.5 < p(T) < 20 GeV. The elliptic flow parameter nu(2) is obtained by correlating individual tracks with the event plane measured using energy deposited in the forward calorimeters. As a function of transverse momentum, nu(2)(p(T)) reaches a maximum at p(T) of about 3 GeV. then decreases and becomes weakly dependent on p(T) above 7-8 GeV. Over the measured pseudorapidity region, nu(2) is found to be only weakly dependent on eta, with less variation than observed at lower beam energies. The results are discussed in the context of previous measurements at lower collision energies, as well as recent results from the LHC. (C) 2011 CERN. Published by Elsevier B.V. All rights reserved. C1 [Aad, G.; Ahles, F.; Beckingham, M.; Bernhard, R.; Bitenc, U.; Bruneliere, R.; Caron, S.; Christov, A.; Consorti, V.; Eckert, S.; Fehling-Kaschek, M.; Flechl, M.; Glatzer, J.; Hartert, J.; Herten, G.; Horner, S.; Jakobs, K.; Ketterer, C.; Kollefrath, M.; Kononov, A. 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[Bai, Y.; Cheng, S.; Han, H.; Jin, S.; Lu, F.; Ouyang, Q.; Shan, L. Y.; Tong, G.; Xie, Y.; Xu, G.; Yang, Y.; Yuan, L.; Zheng, S.] Chinese Acad Sci, Inst High Energy Phys, Beijing, Peoples R China. [Han, L.; Jiang, Y.; Jin, G.; Li, S.; Liu, M.; Liu, Y.; Wang, H.; Wu, Y.; Xu, C.; Zhang, D.; Zhao, Z.] Univ Sci & Technol China, Dept Modern Phys, Hefei, Anhui, Peoples R China. [Chen, S.; Chen, T.; Ping, J.; Yu, J.; Zhong, J.] Nanjing Univ, Dept Phys, Nanjing, Jiangsu, Peoples R China. [Feng, C.; Ge, P.; He, M.; Liu, D.; Meng, Z.; Miao, J.; Wang, J.; Zhan, Z.; Zhang, X.; Zhu, C. G.] Shandong Univ, High Energy Phys Grp, Jinan, Shandong, Peoples R China. [Busato, E.; Calvet, D.; Calvet, S.; Toro, R. Camacho; Cinca, D.; Febbraro, R.; Ghodbane, N.; Guicheney, C.; Pallin, D.; Podlyski, F.; Santoni, C.; Says, L. P.; Vazeille, F.] Clermont Univ, Phys Corpusculaire Lab, Aubiere, France. [Busato, E.; Calvet, D.; Calvet, S.; Toro, R. Camacho; Cinca, D.; Febbraro, R.; Ghodbane, N.; Guicheney, C.; Pallin, D.; Podlyski, F.; Santoni, C.; Says, L. P.; Vazeille, F.] Univ Clermont Ferrand, Aubiere, France. [Busato, E.; Calvet, D.; Calvet, S.; Toro, R. Camacho; Cinca, D.; Febbraro, R.; Ghodbane, N.; Guicheney, C.; Pallin, D.; Podlyski, F.; Santoni, C.; Says, L. P.; Vazeille, F.] CNRS IN2P3, Aubiere, France. [Andeen, T.; Angerami, A.; Brooijmans, G.; Copic, K.; Dodd, J.; Grau, N.; Guo, J.; Hughes, E. W.; Leltchouk, M.; Mateos, D. Lopez; Parsons, J. A.; Penson, A.; Perez, K.; Reale, V. Perez; Spano, F.; Tuts, P. M.; Urbaniec, D.; Williams, E.; Willis, W.; Wulf, E.; Zivkovic, L.] Columbia Univ, Nevis Lab, Irvington, NY USA. [Boelaert, N.; Dam, M.; Driouichi, C.; Hansens, J. R.; Hansen, J. B.; Hansens, J. D.; Hansen, P. H.; Heisterkamp, S.; Jakobsen, S.; Jez, P.; Joergensen, M. D.; Kadlecik, P.; Klinkby, E. B.; Lundquist, J. J.; Mackeprang, R.; Mehlhase, S.; Petersen, T. C.; Simonyan, M.; Xella, S.] Univ Copenhagen, Niels Bohr Inst, Copenhagen, Denmark. [Capua, M.; Crosetti, G.; Fazio, S.; La Rotonda, L.; Mastroberardino, A.; Morello, G.; Salvatore, D.; Schioppa, M.; Susinno, G.; Tassi, E.] INFN Grp Collegato Cosenza, Rome, Italy. [Capua, M.; Crosetti, G.; Fazio, S.; La Rotonda, L.; Mastroberardino, A.; Morello, G.; Salvatore, D.; Schioppa, M.; Susinno, G.; Tassi, E.] Univ Calabria, Dipartimento Fis, Arcavacata Di Rende, Italy. [Bold, T.; Ciba, K.; Dabrowski, W.; Dwuznik, M.; Grabowska-Bold, I.; Idzik, M.; Jelen, K.; Kisielewska, D.; Koperny, S.; Kowalski, T. Z.; Mindur, B.; Rulikowska-Zarebska, E.; Toczek, B.] AGH Univ Sci & Technol, Fac Phys & Appl Comp Sci, Krakow, Poland. [Banas, E.; Blocki, J.; de Renstrom, P. A. Bruckman; Derendarz, D.; Gornicki, E.; Hajduk, Z.; Iwanski, W.; Kaczmarska, A.; Korcyl, K.; Malecki, Pa; Malecki, P.; Olszewski, A.; Olszowska, J.; Richter-Was, E.; Trzupek, A.; Turala, M.; Wolter, M. W.; Wosiek, B. 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Perez; Petschull, D.; Piec, S. M.; Placakyte, R.; Qin, Z.; Rubinskiy, I.; Stelzer, H. J.; Tackmann, K.; Terwort, M.; Vankov, P.; Viti, M.; Wildt, M. A.; Zhu, H.] DESY, D-2000 Hamburg, Germany. [Bechtle, P.; Kuutmann, E. Bergeaas; Boehler, M.; Dietrich, J.; Ehrenfeld, W.; Ferrara, V.; Fischer, G.; Glazov, A.; Goebel, M.; Fajardo, L. S. Gomez; Da Costa, J. Goncalves Pinto Firmino; Gosdzik, B.; Grahn, K. -J.; Gregor, I. M.; Hiller, K. H.; Hristova, I.; Husemann, U.; Belenguer, M. M. Jimenez; Johnert, S.; Karnevskiy, M.; Katzy, J.; Kono, T.; Lange, C.; Lobodzinska, E.; Ludwig, D.; Maettig, S.; Medinnis, M.; Mijovic, L.; Moenig, K.; Naumann, T.; Nozicka, M.; Cavalcanti, T. Perez; Petschull, D.; Piec, S. M.; Placakyte, R.; Qin, Z.; Rubinskiy, I.; Stelzer, H. J.; Tackmann, K.; Terwort, M.; Vankov, P.; Viti, M.; Wildt, M. A.; Zhu, H.] DESY, Zeuthen, Germany. [Dobos, D.; Goessing, C.; Hirsch, F.; Klaiber-Lodewigs, J.; Klingenberg, R.; Krasel, O.; Mass, M.; Reisinger, I.; Walbersloh, J.; Weber, J.; Wunstorf, R.] Tech Univ Dortmund, Inst Expt Phys 4, Dortmund, Germany. [Goepfert, T.; Kar, D.; Kobel, M.; Leonhardt, K.; Ludwig, A.; Mader, W. F.; Prudent, X.; Schwierz, R.; Seifert, F.; Steinbach, P.; Straessner, A.; Vest, A.] Tech Univ Dresden, Inst Kern & Teilchenphys, D-01062 Dresden, Germany. [Arce, A. T. H.; Benjamin, D. P.; Bocci, A.; Ebenstein, W. L.; Fowler, A. J.; Ko, B. R.; Kotwal, A.; Oh, S. H.; Sauvage, G.; Wang, C.; Yamaoka, J.] Duke Univ, Dept Phys, Durham, NC 27706 USA. [Bhimji, W.; Buckley, A. G.; Bunse, M.; Clark, P. J.; O'Brien, B. J.; Wynne, B. M.] Univ Edinburgh, SUPA Sch Phys & Astron, Edinburgh, Midlothian, Scotland. [Griesmayer, E.] Fachhsch Wiener Neustadt, A-2700 Wiener Neustadt, Austria. [Annovi, A.; Antonelli, M.; Bilokon, H.; Cerutti, F.; Curatolo, M.; Esposito, B.; Ferrer, M. L.; Gatti, C.; Laurelli, P.; Maccarrone, G.; Sansoni, A.; Testa, M.; Vilucchi, E.; Volpi, G.; Wen, M.] INFN Lab Nazl Frascati, Frascati, Italy. [Abdelalim, A. A.; Alexandre, G.; Backes, M.; Bell, P. J.; Bell, W. H.; Berglund, E.; Blondel, A.; Bucci, F.; Clark, A.; Dao, V.; Ferrere, D.; Gadomski, S.; Navarro, J. E. Garcia; Gaumer, O.; Gonzalez-Sevilla, S.; Goulette, M. P.; Hamilton, A.; Iacobucci, G.; Leger, A.; Lister, A.; Macina, D.; Latour, B. Martin Dit; Herrera, C. Mora; Morone, M. -C.; Nektarijevic, S.; Nessi, M.; Pasztor, G.; Pohl, M.; Robichaud-Veronneau, A.; Rosbach, K.; Rosselet, L.; Wu, X.] Univ Geneva, Sect Phys, Geneva, Switzerland. [Barberis, D.; Beccherle, R.; Caso, C.; Coccaro, A.; Cornelissen, T.; Cuneo, S.; Darbo, G.; Parodi, A. Ferretto; Gagliardi, G.; Gemme, C.; Morettini, P.; Olcese, M.; Osculati, B.; Parodi, F.; Rossi, L. P.; Schiavi, C.] INFN Sez Genova, Genoa, Italy. [Barberis, D.; Caso, C.; Coccaro, A.; Cornelissen, T.; Cuneo, S.; Dameri, M.; Parodi, A. Ferretto; Gagliardi, G.; Osculati, B.; Parodi, F.; Schiavi, C.] Univ Genoa, Dipartimento Fis, Genoa, Italy. [Chikovani, L.; Djobava, T.; Khubua, J.; Mchedlidze, G.; Mosidze, M.; Tskhadadze, E. G.] Georgian Acad Sci, Inst Phys, GE-380077 Tbilisi, Rep of Georgia. [Chikovani, L.; Djobava, T.; Khubua, J.; Mchedlidze, G.; Mosidze, M.; Tskhadadze, E. G.] Georgian Acad Sci, HEP Inst, GE-380060 Tbilisi, Rep of Georgia. [Chikovani, L.; Djobava, T.; Khubua, J.; Mchedlidze, G.; Mosidze, M.; Tskhadadze, E. G.] Tbilisi State Univ, GE-380086 Tbilisi, Rep of Georgia. [Astvatsatourov, A.; Dueren, M.; Stenzel, H.] Univ Giessen, Inst Phys 2, D-6300 Giessen, Germany. [Allwood-Spiers, S. E.; Bates, R. L.; Britton, D.; Bussey, P.; Buttar, C. M.; Collins-Tooth, C.; D'Auria, S.; Doherty, T.; Doyle, A. T.; Edwards, N. C.; Ferrag, S.; Ferrando, J.; Gemmell, A.; Kenyon, M.; McGlone, H.; Moraes, A.; O'Shea, V.; Barrera, C. Oropeza; Pickford, A.; Robson, A.; Saxon, D. H.; Shaw, C.; Smith, K. M.; St Denis, R. D.; Steele, G.; Thompson, A. S.; Wraight, K.; Wright, C.] Univ Glasgow, SUPA Sch Phys & Astron, Glasgow, Lanark, Scotland. [Ay, C.; Blumenschein, U.; Brandt, O.; Erdmann, J.; Evangelakou, D.; George, M.; Grosse-Knetter, J.; Guindon, S.; Haller, J.; Henrichs, A.; Hensel, C.; Keil, M.; Knue, A.; Kohn, F.; Krieger, N.; Kroeninger, K.; Magradze, E.; Mann, A.; Meyer, J.; Morel, J.; Quadt, A.; Roe, A.; Shabalina, E.; Uhrmacher, M.; Weber, P.; Weingarten, J.] Univ Gottingen, Inst Phys 2, Gottingen, Germany. [Albrand, S.; Andrieux, M. -L.; Clement, B.; Collot, J.; Crepe-Renaudin, S.; de Saintignon, R.; Delsart, P. A.; Donini, J.; Dzahini, D.; Hostachy, J. -Y.; Laisne, E.; Ledroit-Guillon, F.; Lleres, A.; Lucotte, A.; Malek, F.; Martin, Ph; Polci, F.; Stark, J.; Sun, X.; Trocme, B.; Weydert, C.] Univ Grenoble 1, Lab Phys Subat & Cosmol, Grenoble, France. [Albrand, S.; Andrieux, M. -L.; Clement, B.; Collot, J.; Crepe-Renaudin, S.; de Saintignon, R.; Delsart, P. A.; Donini, J.; Dzahini, D.; Hostachy, J. -Y.; Laisne, E.; Ledroit-Guillon, F.; Lleres, A.; Lucotte, A.; Malek, F.; Martin, Ph; Polci, F.; Stark, J.; Sun, X.; Trocme, B.; Weydert, C.] CNRS IN2P3, Grenoble, France. [Albrand, S.; Andrieux, M. -L.; Clement, B.; Collot, J.; Crepe-Renaudin, S.; de Saintignon, R.; Delsart, P. A.; Donini, J.; Dzahini, D.; Hostachy, J. -Y.; Laisne, E.; Ledroit-Guillon, F.; Lleres, A.; Lucotte, A.; Malek, F.; Martin, Ph; Polci, F.; Stark, J.; Sun, X.; Trocme, B.; Weydert, C.] Inst Natl Polytech Grenoble, F-38031 Grenoble, France. [Addy, T. N.; Harvey, A.; McFarlane, K. W.; Shin, T.; Vassilakopoulos, V. I.] Hampton Univ, Dept Phys, Hampton, VA 23668 USA. [da Costa, J. Barreiro Guimaraes; Belloni, A.; Brandenburg, G. W.; Franklin, M.; Hurst, P.; Huth, J.; Jeanty, L.; Kagan, M.; Outschoorn, V. Martinez; Mercurio, K. M.; Mills, C.; Moed, S.; Morii, M.; Prasad, S.; Smith, B. C.; della Porta, G. Zevi] Harvard Univ, Lab Particle Phys & Cosmol, Cambridge, MA 02138 USA. [Andrei, V.; Childers, J. T.; Davygora, Y.; Dietzsch, T. A.; Foehlisch, F.; Geweniger, C.; Hanke, P.; Henke, M.; Khomich, A.; Kluge, E. -E.; Lendermann, V.; Meier, K.; Mueller, F.; Poddar, S.; Scharf, V.; Schultz-Coulon, H. -C.; Stamen, R.; Wessels, M.] Heidelberg Univ, Kirchhoff Inst Phys, Heidelberg, Germany. [Radescu, V.; Schaetzel, S.; Schmitt, S.; Schoening, A.] Heidelberg Univ, Inst Phys, D-6900 Heidelberg, Germany. [Kugel, A.; Maenner, R.; Schroer, N.] Heidelberg Univ, ZITI Inst Tech Informat, D-6800 Mannheim, Germany. [Ohsugi, T.] Hiroshima Univ, Fac Sci, Hiroshima 730, Japan. [Nagasaka, Y.] Hiroshima Inst Technol, Fac Appl Informat Sci, Hiroshima, Japan. [Brunet, S.; Cwetanski, R.; Evans, H.; Gagnon, P.; Jain, V.; Luehring, F.; Marino, C. P.; Ogren, H.; Penwell, J.; Price, D.; Rust, D. R.; Whittington, D.; Yang, Y.; Zieminska, D.] Indiana Univ, Dept Phys, Bloomington, IN 47405 USA. [Epp, B.; Jussel, P.; Kneringer, E.; Kuhn, D.; Rudolph, G.] Leopold Franzens Univ, Inst Astro & Teilchenphys, Innsbruck, Austria. [Behera, P. K.; Limper, M.; Mallik, U.; Zaidan, R.] Univ Iowa, Iowa City, IA USA. [Chen, C.; Cochran, J.; Dudziak, F.; Mete, A. S.; Meyer, W. T.; Nelson, A.; Prell, S.; Rosenberg, E. I.; Ruiz-Martinez, A.; Yamamoto, K.] Iowa State Univ, Dept Phys & Astron, Ames, IA USA. [Aleksandrov, I. N.; Barashkou, A.; Bardin, D. Y.; Bednyakov, V. A.; Boyko, I. R.; Budagov, I. A.; Chelkov, G. A.; Cheplakov, A.; Chepurnov, V. F.; Chizhov, M. V.; Dedovich, D. V.; Demichev, M.; Glonti, G. L.; Gostkin, M. I.; Grigalashvili, N.; Gusakov, Y.; Huseynov, N.; Kalinovskaya, L. V.; Kazarinov, M. Y.; Kekelidze, G. D.; Kharchenko, D.; Khovanskiy, N.; Khramov, E.; Kolesnikov, V.; Kotov, V. M.; Kruchonak, U.; Krumshteyn, Z. V.; Kukhtin, V.; Ladygin, E.; Lazarev, A. B.; Manjavidze, I. D.; Minashvili, I. A.; Mineev, M.; Nikolaev, K.; Olchevski, A. G.; Peshekhonov, V. D.; Romanov, V. M.; Rumyantsev, L.; Rusakovich, N. A.; Sadykov, R.; Sisakyan, A. N.; Topilin, N. D.; Vinogradov, V. B.; Zhemchugov, A.] Joint Inst Nucl Res Dubna, Joint Inst Nucl Res, Dubna, Russia. [Amako, K.; Arai, Y.; Doi, Y.; Haruyama, T.; Ikegami, Y.; Ikeno, M.; Ishii, K.; Ishino, M.; Iwasaki, H.; Kanzaki, J.; Kohriki, T.; Kondo, T.; Makida, Y.; Manabe, A.; Mitsui, S.; Morita, Y.; Murakami, K.; Nagano, K.; Nozaki, M.; Odaka, S.; Ohska, T. K.; Sasaki, O.; Sasaki, T.; Suzuki, Y.; Tanaka, S.; Terada, S.; Tojo, J.; Tokushuku, K.; Tsuno, S.; Unno, Y.; Yamada, M.; Yamamoto, A.; Yasu, Y.] High Energy Accelerator Res Org, KEK, Tsukuba, Ibaraki, Japan. [Akiyama, A.; Hayakawa, T.; Homma, Y.; Ichimiya, R.; Ishikawa, A.; Kawagoe, K.; King, M.; Kiyamura, H.; Kurashige, H.; Matsushita, T.; Miyazaki, K.; Nishiyama, T.; Ochi, A.; Okada, S.; Omachi, C.; Suita, K.; Takeda, H.; Tani, K.; Tokunaga, K.; Yamazaki, Y.] Kobe Univ, Grad Sch Sci, Kobe, Hyogo 657, Japan. [Sasao, N.] Kyoto Univ, Fac Sci, Kyoto, Japan. [Takashima, R.] Kyoto Univ, Kyoto 612, Japan. [Anduaga, X. S.; Dova, M. T.; Monticelli, F.; Tripiana, M. F.] Univ Nacl La Plata, Inst Fis La Plata, La Plata, Buenos Aires, Argentina. [Anduaga, X. S.; Dova, M. T.; Monticelli, F.; Tripiana, M. F.] Consejo Nacl Invest Cient & Tecn, La Plata, Buenos Aires, Argentina. [Barton, A. E.; Borissov, G.; Bouhova-Thacker, E. V.; Brodbeck, T. J.; Catmore, J. R.; Chilingarov, A.; Davidson, R.; De Mora, L.; Fox, H.; Henderson, R. C. W.; Hughes, G.; Jones, R. W. L.; Kartvelishvili, V.; Long, R. E.; Love, P. A.; Ratoff, P. N.; Sloan, T. J.; Smizanska, M.; Walder, J.] Univ Lancaster, Dept Phys, Lancaster, England. [Bianco, M.; Cataldi, G.; Chiodini, G.; Gorini, E.; Grancagnolo, F.; Guida, A.; Perrino, R.; Primavera, M.; Spagnolo, S.; Ventura, A.] INFN Sez Lecce, Rome, Italy. [Bianco, M.; Gorini, E.; Guida, A.; Spagnolo, S.; Ventura, A.] Univ Salento, Dipartimento Fis, Lecce, Italy. [Allport, P. P.; Austin, N.; Burdin, S.; Dervani, P.; Greenshaw, T.; Gwilliam, C. B.; Hayward, H. S.; Houlden, M. A.; Jackson, J. N.; Jones, T. J.; King, B. T.; Klein, M.; Klein, U.; Kluge, T.; Kretzschmar, J.; Laycock, R.; Maxfield, S. J.; Mehta, A.; Migas, S.; Prichard, P. M.; Sellers, G.; Vossebeld, J. H.; Waller, R.; Wrona, B.] Univ Liverpool, Oliver Lodge Lab, Liverpool L69 3BX, Merseyside, England. [Cindro, V.; Deliyergiyev, M.; Dolenc, I.; Filipcic, A.; Gorigek, A.; Kersevan, B. P.; Kramberger, G.; Macek, B.; Mandic, I.; Mikuz, M.; Tykhonov, A.] Jozef Stefan Inst, Dept Phys, Ljubljana, Slovenia. [Cindro, V.; Deliyergiyev, M.; Dolenc, I.; Filipcic, A.; Gorigek, A.; Kersevan, B. P.; Kramberger, G.; Macek, B.; Mandic, I.; Mikuz, M.; Tykhonov, A.] Univ Ljubljana, Ljubljana, Slovenia. [Adragna, P.; Bona, M.; Carter, A. A.; Cerrito, L.; Eisenhandler, E.; Ellis, K.; Landon, M. P. J.; Lloyd, S. L.; Morin, J.; Morris, J. D.; Piccaro, E.; Poll, J.; Rizvi, E.; Salamanna, G.; Stevenson, K.; Castanheira, M. Teixeira Dias; Traynor, D.; Wiglesworth, C.] Queen Mary Univ London, Dept Phys, London, England. [Alam, M. A.; Berry, T.; Boisvert, V.; Boorman, G.; Cooper-Smith, N. J.; Cowan, G.; Edwards, C. A.; George, S.; Goncalo, R.; Hayden, D.; Misiejuk, A.; Rose, M.; Strong, J. A.; Teixeira-Dias, R.] Royal Holloway Univ London, Dept Phys, Surrey, England. [Baker, S.; Bernat, P.; Bieniek, S. P.; Boeser, S.; Butterworth, J. M.; Byatt, T.; Campanelli, M.; Christidi, I. A.; Cooper, B. D.; Davison, A. R.; Dean, S.; Jansen, E.; Jones, T. W.; Konstantinidis, N.; Monk, J.; Nash, M.; Nurse, E.; Prabhu, R.; Richards, A.; Robinson, J. E. M.; Sherwood, P.; Simmons, B.; Taylor, C.; Waugh, B. M.; Wijeratne, P. A.] UCL, Dept Phys & Astron, London, England. [Beau, T.; Bordoni, S.; Calderini, G.; Cavalleri, P.; Chareyre, E.; De Cecco, S.; Derue, F.; Imbault, D.; Krasny, M. W.; Kuna, M.; Lacour, D.; Laforge, B.; Laplace, S.; Le Dortz, O.; Lellouch, J.; Marchiori, G.; Nikolic-Audit, I.; Ocariz, J.; Ridel, M.; Roos, L.; Schwemling, Ph; Theveneaux-Pelzer, T.; Trincaz-Duvoid, S.; Trinh, T. N.; Vannucci, F.; Yuan, L.] UPMC, Lab Phys Nucl & Hautes Energies, Paris, France. [Beau, T.; Bordoni, S.; Calderini, G.; Cavalleri, P.; Chareyre, E.; De Cecco, S.; Derue, F.; Imbault, D.; Krasny, M. W.; Kuna, M.; Lacour, D.; Laforge, B.; Laplace, S.; Le Dortz, O.; Lellouch, J.; Marchiori, G.; Nikolic-Audit, I.; Ocariz, J.; Ridel, M.; Roos, L.; Schwemling, Ph; Theveneaux-Pelzer, T.; Trincaz-Duvoid, S.; Trinh, T. N.; Vannucci, F.; Yuan, L.] Univ Paris Diderot, Paris, France. [Beau, T.; Bordoni, S.; Calderini, G.; Cavalleri, P.; Chareyre, E.; De Cecco, S.; Derue, F.; Imbault, D.; Krasny, M. W.; Kuna, M.; Lacour, D.; Laforge, B.; Laplace, S.; Le Dortz, O.; Lellouch, J.; Marchiori, G.; Nikolic-Audit, I.; Ocariz, J.; Ridel, M.; Roos, L.; Schwemling, Ph; Theveneaux-Pelzer, T.; Trincaz-Duvoid, S.; Trinh, T. N.; Vannucci, F.; Yuan, L.] CNRS IN2P3, Paris, France. [Akesson, T. P. A.; Alonso, A.; Bocchetta, S. S.; Hedberg, V.; Jarlskog, G.; Lundberg, B.; Lytken, E.; Meirose, B.; Mjornmark, J. U.; Smirnova, O.] Lund Univ, Fysiska Inst, Lund, Sweden. [Barreiro, F.; Cantero, J.; De la Torre, H.; Del Peso, J.; Glasman, C.; Labarga, L.; Lagouri, T.; Llorente Merino, J.; March, L.; Nebot, E.; Rodier, S.; Terron, J.] Univ Autonoma Madrid, Dept Fis Teor C 15, Madrid, Spain. [Aharrouche, M.; Arnaez, O.; Bendel, M.; Blum, W.; Buecher, V.; Eckweiler, S.; Edmonds, K.; Ellinghaus, F.; Ertel, E.; Fiedler, F.; Fleckner, J.; Goeringer, C.; Handel, C.; Hohlfeld, M.; Ji, W.; Kawamura, G.; Kleinknecht, K.; Koenig, S.; Koepke, L.; Lungwitz, M.; Masetti, L.; Meyer, C.; Moreno, D.; Neusiedl, A.; Rieke, S.; Sander, H. G.; Schaefer, U.; Schmitt, C.; Schroeder, C.; Siragusa, G.; Tapprogge, S.; Anh, T. Vu] Johannes Gutenberg Univ Mainz, Inst Phys, D-6500 Mainz, Germany. [Almond, J.; Brown, G.; Chavda, V.; Cox, B. E.; Da Via, C.; Duerdoth, I. P.; Forti, A.; Foster, J. M.; Howarth, J.; Hughes-Jones, R. E.; Ibbotson, M.; Jones, G. K.; Keates, J. R.; Kelly, M.; Kolya, S. D.; Lane, J. L.; Loebinger, F. K.; Marshall, R.; Martyniuk, A. C.; Marx, M.; Masik, J.; Miyagawa, P. S.; Oh, A.; Owen, M.; Pater, J. R.; Pilkington, A. D.; Plano, W. G.; Schwanenberger, C.; Snow, S. W.; Watts, S.; Yang, U. K.] Univ Manchester, Sch Phys & Astron, Manchester, Lancs, England. [Aoun, S.; Arfaoui, S.; Bee, C. P.; Benchouk, C.; Bernardet, K.; Bousson, N.; Clemens, J. C.; Coadou, Y.; Delpierre, P.; Djama, F.; Etienne, F.; Feligioni, L.; Henry-Couannier, F.; Hoffmann, D.; Hubaut, F.; Knoops, E. B. F. G.; Le Guirriec, E.; Li, B.; Li, S.; Monnier, E.; Odier, J.; Petit, E.; Pralavorio, P.; Qian, Z.; Rozanov, A.; Talby, M.; Tannoury, N.; Tisserant, S.; Toth, J.; Touchard, F.; Vacavant, L.] Aix Marseille Univ, CPPM, Marseille, France. [Aoun, S.; Arfaoui, S.; Bee, C. P.; Benchouk, C.; Bernardet, K.; Bousson, N.; Clemens, J. C.; Coadou, Y.; Delpierre, P.; Djama, F.; Etienne, F.; Feligioni, L.; Henry-Couannier, F.; Hoffmann, D.; Hubaut, F.; Knoops, E. B. F. G.; Le Guirriec, E.; Li, B.; Li, S.; Monnier, E.; Odier, J.; Petit, E.; Pralavorio, P.; Qian, Z.; Rozanov, A.; Talby, M.; Tannoury, N.; Tisserant, S.; Toth, J.; Touchard, F.; Vacavant, L.] CNRS IN2P3, Marseille, France. [Brau, B.; Colon, G.; Dallapiccola, C.; Meade, A.; Moyse, E. J. W.; Thompson, E. N.; van Eldik, N.; Willocq, S.; Woudstra, M. J.] Univ Massachusetts, Dept Phys, Amherst, MA 01003 USA. [Chapleau, B.; Cheatham, S.; Corriveau, F.; Dobbs, M.; Dufour, M. -A.; Guler, H.; Klemetti, M.; Robertson, S. H.; Rios, C. Santamarina; Schram, M.; Vachon, B.; Warburton, A.] McGill Univ, Dept Phys, Montreal, PQ, Canada. [Barberio, E. L.; Davey, W.; Davidson, N.; Felzmann, C. U.; Kubota, T.; Limosani, A.; Moorhead, G. F.; Hanninger, G. Nunes; Phan, A.; Sevior, M. E.; Taylor, G. N.; Whit